Interaction of 〈1 0 0〉 dislocation loops with dislocations studied by dislocation dynamics in α-iron

NASA Astrophysics Data System (ADS)

Shi, X. J.; Dupuy, L.; Devincre, B.; Terentyev, D.; Vincent, L.

2015-05-01

Interstitial dislocation loops with Burgers vector of 〈1 0 0〉 type are formed in α-iron under neutron or heavy ion irradiation. As the density and size of these loops increase with radiation dose and temperature, these defects are thought to play a key role in hardening and subsequent embrittlement of iron-based steels. The aim of the present work is to study the pinning strength of the loops on mobile dislocations. Prior to run massive Dislocation Dynamics (DD) simulations involving experimentally representative array of radiation defects and dislocations, the DD code and its parameterization are validated by comparing the individual loop-dislocation reactions with those obtained from direct atomistic Molecular Dynamics (MD) simulations. Several loop-dislocation reaction mechanisms are successfully reproduced as well as the values of the unpinning stress to detach mobile dislocations from the defects.

Functional Loop Dynamics of the Streptavidin-Biotin Complex

PubMed Central

Song, Jianing; Li, Yongle; Ji, Changge; Zhang, John Z. H.

2015-01-01

Accelerated molecular dynamics (aMD) simulation is employed to study the functional dynamics of the flexible loop3-4 in the strong-binding streptavidin-biotin complex system. Conventional molecular (cMD) simulation is also performed for comparison. The present study reveals the following important properties of the loop dynamics: (1) The transition of loop3-4 from open to closed state is observed in 200 ns aMD simulation. (2) In the absence of biotin binding, the open-state streptavidin is more stable, which is consistent with experimental evidences. The free energy (ΔG) difference is about 5 kcal/mol between two states. But with biotin binding, the closed state is more stable due to electrostatic and hydrophobic interactions between the loop3-4 and biotin. (3) The closure of loop3-4 is concerted to the stable binding of biotin to streptavidin. When the loop3-4 is in its open-state, biotin moves out of the binding pocket, indicating that the interactions between the loop3-4 and biotin are essential in trapping biotin in the binding pocket. (4) In the tetrameric streptavidin system, the conformational change of the loop3-4 in each monomer is independent of each other. That is, there is no cooperative binding for biotin bound to the four subunits of the tetramer. PMID:25601277

A Software Framework for Aircraft Simulation

NASA Technical Reports Server (NTRS)

Curlett, Brian P.

2008-01-01

The National Aeronautics and Space Administration Dryden Flight Research Center has a long history in developing simulations of experimental fixed-wing aircraft from gliders to suborbital vehicles on platforms ranging from desktop simulators to pilot-in-the-loop/aircraft-in-the-loop simulators. Regardless of the aircraft or simulator hardware, much of the software framework is common to all NASA Dryden simulators. Some of this software has withstood the test of time, but in recent years the push toward high-fidelity user-friendly simulations has resulted in some significant changes. This report presents an overview of the current NASA Dryden simulation software framework and capabilities with an emphasis on the new features that have permitted NASA to develop more capable simulations while maintaining the same staffing levels.

Utilization of municipal wastewater for cooling in thermoelectric power plants

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

Safari, Iman; Walker, Michael E.; Hsieh, Ming-Kai

2013-09-01

A process simulation model has been developed using Aspen Plus® with the OLI (OLI System, Inc.) water chemistry model to predict water quality in the recirculating cooling loop utilizing secondary- and tertiary-treated municipal wastewater as the source of makeup water. Simulation results were compared with pilot-scale experimental data on makeup water alkalinity, loop pH, and ammonia evaporation. The effects of various parameters including makeup water quality, salt formation, NH 3 and CO 2 evaporation mass transfer coefficients, heat load, and operating temperatures were investigated. The results indicate that, although the simulation model can capture the general trends in the loopmore » pH, experimental data on the rates of salt precipitation in the system are needed for more accurate prediction of the loop pH. It was also found that stripping of ammonia and carbon dioxide in the cooling tower can influence the cooling loop pH significantly. The effects of the NH 3 mass transfer coefficient on cooling loop pH appear to be more significant at lower values (e.g., k NH3 < 4×10 -3 m/s) when the makeup water alkalinity is low (e.g., <90 mg/L as CaCO 3). The effect of the CO2 mass transfer coefficient was found to be significant only at lower alkalinity values (e.g., k CO2<4×10 -6 m/s).« less

Design and simulation of a sensor for heliostat field closed loop control

NASA Astrophysics Data System (ADS)

Collins, Mike; Potter, Daniel; Burton, Alex

2017-06-01

Significant research has been completed in pursuit of capital cost reductions for heliostats [1],[2]. The camera array closed loop control concept has potential to radically alter the way heliostats are controlled and installed by replacing high quality open loop targeting systems with low quality targeting devices that rely on measurement of image position to remove tracking errors during operation. Although the system could be used for any heliostat size, the system significantly benefits small heliostats by reducing actuation costs, enabling large numbers of heliostats to be calibrated simultaneously, and enabling calibration of heliostats that produce low irradiance (similar or less than ambient light images) on Lambertian calibration targets, such as small heliostats that are far from the tower. A simulation method for the camera array has been designed and verified experimentally. The simulation tool demonstrates that closed loop calibration or control is possible using this device.

Toward Theory Building in the Field of Instructional Games and Simulations

ERIC Educational Resources Information Center

Cruickshank, Donald R.; Mager, Gerald M.

1976-01-01

Three suggestions are made for improving on the present uncoordinated state of games and simulations: establish precise vocabulary, understand the relationships between simulation/gaming and other instructional alternatives, and instigate systematic research based on the descriptive--correlational--experimental loop model. (Author/LS)

Pressurized thermal shock: TEMPEST computer code simulation of thermal mixing in the cold leg and downcomer of a pressurized water reactor. [Creare 61 and 64

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

Eyler, L.L.; Trent, D.S.

The TEMPEST computer program was used to simulate fluid and thermal mixing in the cold leg and downcomer of a pressurized water reactor under emergency core cooling high-pressure injection (HPI), which is of concern to the pressurized thermal shock (PTS) problem. Application of the code was made in performing an analysis simulation of a full-scale Westinghouse three-loop plant design cold leg and downcomer. Verification/assessment of the code was performed and analysis procedures developed using data from Creare 1/5-scale experimental tests. Results of three simulations are presented. The first is a no-loop-flow case with high-velocity, low-negative-buoyancy HPI in a 1/5-scale modelmore » of a cold leg and downcomer. The second is a no-loop-flow case with low-velocity, high-negative density (modeled with salt water) injection in a 1/5-scale model. Comparison of TEMPEST code predictions with experimental data for these two cases show good agreement. The third simulation is a three-dimensional model of one loop of a full size Westinghouse three-loop plant design. Included in this latter simulation are loop components extending from the steam generator to the reactor vessel and a one-third sector of the vessel downcomer and lower plenum. No data were available for this case. For the Westinghouse plant simulation, thermally coupled conduction heat transfer in structural materials is included. The cold leg pipe and fluid mixing volumes of the primary pump, the stillwell, and the riser to the steam generator are included in the model. In the reactor vessel, the thermal shield, pressure vessel cladding, and pressure vessel wall are thermally coupled to the fluid and thermal mixing in the downcomer. The inlet plenum mixing volume is included in the model. A 10-min (real time) transient beginning at the initiation of HPI is computed to determine temperatures at the beltline of the pressure vessel wall.« less

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

NASA Technical Reports Server (NTRS)

Csank, Jeffrey T.; Stueber, Thomas J.

2013-01-01

A dual flow-path inlet for a turbine based combined cycle (TBCC) propulsion system is to be tested in order to evaluate methodologies for performing a controlled inlet mode transition. Prior to experimental testing, simulation models are used to test, debug, and validate potential control algorithms which are designed to maintain shock position during inlet disturbances. One simulation package being used for testing is the High Mach Transient Engine Cycle Code simulation, known as HiTECC. This paper discusses the development of a mode transition schedule for the HiTECC simulation that is analogous to the development of inlet performance maps. Inlet performance maps, derived through experimental means, describe the performance and operability of the inlet as the splitter closes, switching power production from the turbine engine to the Dual Mode Scram Jet. With knowledge of the operability and performance tradeoffs, a closed loop system can be designed to optimize the performance of the inlet. This paper demonstrates the design of the closed loop control system and benefit with the implementation of a Proportional-Integral controller, an H-Infinity based controller, and a disturbance observer based controller; all of which avoid inlet unstart during a mode transition with a simulated disturbance that would lead to inlet unstart without closed loop control.

Experimental Verification of Application of Looped System and Centralized Voltage Control in a Distribution System with Renewable Energy Sources

NASA Astrophysics Data System (ADS)

Hanai, Yuji; Hayashi, Yasuhiro; Matsuki, Junya

The line voltage control in a distribution network is one of the most important issues for a penetration of Renewable Energy Sources (RES). A loop distribution network configuration is an effective solution to resolve voltage and distribution loss issues concerned about a penetration of RES. In this paper, for a loop distribution network, the authors propose a voltage control method based on tap change control of LRT and active/reactive power control of RES. The tap change control of LRT takes a major role of the proposed voltage control. Additionally the active/reactive power control of RES supports the voltage control when voltage deviation from the upper or lower voltage limit is unavoidable. The proposed method adopts SCADA system based on measured data from IT switches, which are sectionalizing switch with sensor installed in distribution feeder. In order to check the validity of the proposed voltage control method, experimental simulations using a distribution system analog simulator “ANSWER” are carried out. In the simulations, the voltage maintenance capability in the normal and the emergency is evaluated.

Theoretical study of closed-loop recycling liquid-liquid chromatography and experimental verification of the theory.

PubMed

Kostanyan, Artak E; Erastov, Andrey A

2016-09-02

The non-ideal recycling equilibrium-cell model including the effects of extra-column dispersion is used to simulate and analyze closed-loop recycling counter-current chromatography (CLR CCC). Previously, the operating scheme with the detector located before the column was considered. In this study, analysis of the process is carried out for a more realistic and practical scheme with the detector located immediately after the column. Peak equation for individual cycles and equations describing the transport of single peaks and complex chromatograms inside the recycling closed-loop, as well as equations for the resolution between single solute peaks of the neighboring cycles, for the resolution of peaks in the recycling chromatogram and for the resolution between the chromatograms of the neighboring cycles are presented. It is shown that, unlike conventional chromatography, increasing of the extra-column volume (the recycling line length) may allow a better separation of the components in CLR chromatography. For the experimental verification of the theory, aspirin, caffeine, coumarin and the solvent system hexane/ethyl acetate/ethanol/water (1:1:1:1) were used. Comparison of experimental and simulated processes of recycling and distribution of the solutes in the closed-loop demonstrated a good agreement between theory and experiment. Copyright © 2016 Elsevier B.V. All rights reserved.

A Looping-Based Model for Quenching Repression

PubMed Central

Pollak, Yaroslav; Goldberg, Sarah; Amit, Roee

2017-01-01

We model the regulatory role of proteins bound to looped DNA using a simulation in which dsDNA is represented as a self-avoiding chain, and proteins as spherical protrusions. We simulate long self-avoiding chains using a sequential importance sampling Monte-Carlo algorithm, and compute the probabilities for chain looping with and without a protrusion. We find that a protrusion near one of the chain’s termini reduces the probability of looping, even for chains much longer than the protrusion–chain-terminus distance. This effect increases with protrusion size, and decreases with protrusion-terminus distance. The reduced probability of looping can be explained via an eclipse-like model, which provides a novel inhibitory mechanism. We test the eclipse model on two possible transcription-factor occupancy states of the D. melanogaster eve 3/7 enhancer, and show that it provides a possible explanation for the experimentally-observed eve stripe 3 and 7 expression patterns. PMID:28085884

Modeling and simulation of a counter-rotating turbine system for underwater vehicles

NASA Astrophysics Data System (ADS)

Wang, Xinping; Dang, Jianjun

2016-12-01

The structure of a counter-rotating turbine of an underwater vehicle is designed by adding the counter-rotating second-stage turbine disk after the conventional single-stage turbine. The available kinetic energy and the absorption power of the auxiliary system are calculated at different working conditions, and the results show that the power of the main engine and auxiliary system at the counter-rotating turbine system matches well with each other. The experimental simulation of the lubricating oil loop, fuel loop, and seawater loop are completed right before the technology scheme of the counter-rotating turbine system is proposed. The simulation results indicate that the hydraulic transmission system can satisfy the requirements for an underwater vehicle running at a steady sailing or variable working conditions.

Numerical simulation of velocity and temperature fields in natural circulation loop

NASA Astrophysics Data System (ADS)

Sukomel, L. A.; Kaban'kov, O. N.

2017-11-01

Low flow natural circulation regimes are realized in many practical applications and the existence of the reliable engineering and design calculation methods of flows driven exclusively by buoyancy forces is an actual problem. In particular it is important for the analysis of start up regimes of passive safety systems of nuclear power plants. In spite of a long year investigations of natural circulation loops no suitable predicting recommendations for heat transfer and friction for the above regimes have been proposed for engineering practice and correlations for forced flow are commonly used which considerably overpredicts the real flow velocities. The 2D numerical simulation of velocity and temperature fields in circular tubes for laminar flow natural circulation with reference to the laboratory experimental loop has been carried out. The results were compared with the 1D modified model and experimental data obtained on the above loop. The 1D modified model was still based on forced flow correlations, but in these correlations the physical properties variability and the existence of thermal and hydrodynamic entrance regions are taken into account. The comparison of 2D simulation, 1D model calculations and the experimental data showed that even subject to influence of liquid properties variability and entrance regions on heat transfer and friction the use of 1D model with forced flow correlations do not improve the accuracy of calculations. In general, according to 2D numerical simulation the wall shear stresses are mainly affected by the change of wall velocity gradient due to practically continuous velocity profiles deformation along the whole heated zone. The form of velocity profiles and the extent of their deformation in its turn depend upon the wall heat flux density and the hydraulic diameter.

Non-active site mutations disturb the loop dynamics, dimerization, viral budding and egress of VP40 of the Ebola virus.

PubMed

Balmith, Marissa; Soliman, Mahmoud E S

2017-02-28

The first account of the dynamic features of the loop region of VP40 of the Ebola virus (EboV) using accelerated molecular dynamics (aMD) simulations is reported herein. Due to its major role in the Ebola life cycle, VP40 is considered a promising therapeutic target. The available experimental data on the N-terminal domain (NTD) loop indicates that mutations K127A, T129A and N130A demonstrate an unrecognized role for NTD-plasma membrane (PM) interaction for efficient VP40-PM localization, oligomerization, matrix assembly and egress. Despite experimental results, the molecular description of VP40 and the information it can provide still remain vague. Therefore, to gain further molecular insight into the effect of mutations on the loop region of VP40 and its effects on the overall protein conformation and VP40 dimerization, aMD simulations and post-dynamic analyses were employed for wildtype (WT) and mutant systems. The results showed significant variations in the presence of mutations as per RMSF, RMSD, R g , PCA and distance calculations in comparison to the WT. These results could provide researchers with insight with regards to the conformational aspects concerning VP40 and its close relation to the experimental data. We believe that the results presented in this study will ultimately provide a useful understanding of the structural landscape of the loop region of VP40, which would contribute towards the discovery of novel EboV inhibitors.

High-resolution reversible folding of hyperstable RNA tetraloops using molecular dynamics simulations

PubMed Central

Chen, Alan A.; García, Angel E.

2013-01-01

We report the de novo folding of three hyperstable RNA tetraloops to 1–3 Å rmsd from their experimentally determined structures using molecular dynamics simulations initialized in the unfolded state. RNA tetraloops with loop sequences UUCG, GCAA, or CUUG are hyperstable because of the formation of noncanonical loop-stabilizing interactions, and they are all faithfully reproduced to angstrom-level accuracy in replica exchange molecular dynamics simulations, including explicit solvent and ion molecules. This accuracy is accomplished using unique RNA parameters, in which biases that favor rigid, highly stacked conformations are corrected to accurately capture the inherent flexibility of ssRNA loops, accurate base stacking energetics, and purine syn-anti interconversions. In a departure from traditional quantum chemistrycentric approaches to force field optimization, our parameters are calibrated directly from thermodynamic and kinetic measurements of intra- and internucleotide structural transitions. The ability to recapitulate the signature noncanonical interactions of the three most abundant hyperstable stem loop motifs represents a significant milestone to the accurate prediction of RNA tertiary structure using unbiased all-atom molecular dynamics simulations. PMID:24043821

Magnetic vortex chirality determination via local hysteresis loops measurements with magnetic force microscopy

PubMed Central

Coïsson, Marco; Barrera, Gabriele; Celegato, Federica; Manzin, Alessandra; Vinai, Franco; Tiberto, Paola

2016-01-01

Magnetic vortex chirality in patterned square dots has been investigated by means of a field-dependent magnetic force microscopy technique that allows to measure local hysteresis loops. The chirality affects the two loop branches independently, giving rise to curves that have different shapes and symmetries as a function of the details of the magnetisation reversal process in the square dot, that is studied both experimentally and through micromagnetic simulations. The tip-sample interaction is taken into account numerically, and exploited experimentally, to influence the side of the square where nucleation of the vortex preferably occurs, therefore providing a way to both measure and drive chirality with the present technique. PMID:27426442

Magnetic vortex chirality determination via local hysteresis loops measurements with magnetic force microscopy.

PubMed

Coïsson, Marco; Barrera, Gabriele; Celegato, Federica; Manzin, Alessandra; Vinai, Franco; Tiberto, Paola

2016-07-18

Magnetic vortex chirality in patterned square dots has been investigated by means of a field-dependent magnetic force microscopy technique that allows to measure local hysteresis loops. The chirality affects the two loop branches independently, giving rise to curves that have different shapes and symmetries as a function of the details of the magnetisation reversal process in the square dot, that is studied both experimentally and through micromagnetic simulations. The tip-sample interaction is taken into account numerically, and exploited experimentally, to influence the side of the square where nucleation of the vortex preferably occurs, therefore providing a way to both measure and drive chirality with the present technique.

Magnetic vortex chirality determination via local hysteresis loops measurements with magnetic force microscopy

NASA Astrophysics Data System (ADS)

Coïsson, Marco; Barrera, Gabriele; Celegato, Federica; Manzin, Alessandra; Vinai, Franco; Tiberto, Paola

2016-07-01

Magnetic vortex chirality in patterned square dots has been investigated by means of a field-dependent magnetic force microscopy technique that allows to measure local hysteresis loops. The chirality affects the two loop branches independently, giving rise to curves that have different shapes and symmetries as a function of the details of the magnetisation reversal process in the square dot, that is studied both experimentally and through micromagnetic simulations. The tip-sample interaction is taken into account numerically, and exploited experimentally, to influence the side of the square where nucleation of the vortex preferably occurs, therefore providing a way to both measure and drive chirality with the present technique.

Closed Loop Interactions between Spiking Neural Network and Robotic Simulators Based on MUSIC and ROS.

PubMed

Weidel, Philipp; Djurfeldt, Mikael; Duarte, Renato C; Morrison, Abigail

2016-01-01

In order to properly assess the function and computational properties of simulated neural systems, it is necessary to account for the nature of the stimuli that drive the system. However, providing stimuli that are rich and yet both reproducible and amenable to experimental manipulations is technically challenging, and even more so if a closed-loop scenario is required. In this work, we present a novel approach to solve this problem, connecting robotics and neural network simulators. We implement a middleware solution that bridges the Robotic Operating System (ROS) to the Multi-Simulator Coordinator (MUSIC). This enables any robotic and neural simulators that implement the corresponding interfaces to be efficiently coupled, allowing real-time performance for a wide range of configurations. This work extends the toolset available for researchers in both neurorobotics and computational neuroscience, and creates the opportunity to perform closed-loop experiments of arbitrary complexity to address questions in multiple areas, including embodiment, agency, and reinforcement learning.

Closed Loop Interactions between Spiking Neural Network and Robotic Simulators Based on MUSIC and ROS

PubMed Central

Weidel, Philipp; Djurfeldt, Mikael; Duarte, Renato C.; Morrison, Abigail

2016-01-01

In order to properly assess the function and computational properties of simulated neural systems, it is necessary to account for the nature of the stimuli that drive the system. However, providing stimuli that are rich and yet both reproducible and amenable to experimental manipulations is technically challenging, and even more so if a closed-loop scenario is required. In this work, we present a novel approach to solve this problem, connecting robotics and neural network simulators. We implement a middleware solution that bridges the Robotic Operating System (ROS) to the Multi-Simulator Coordinator (MUSIC). This enables any robotic and neural simulators that implement the corresponding interfaces to be efficiently coupled, allowing real-time performance for a wide range of configurations. This work extends the toolset available for researchers in both neurorobotics and computational neuroscience, and creates the opportunity to perform closed-loop experiments of arbitrary complexity to address questions in multiple areas, including embodiment, agency, and reinforcement learning. PMID:27536234

Closed loop performance of a brushless dc motor powered electromechanical actuator for flight control applications. [computerized simulation for Shuttle Orbiter applications

NASA Technical Reports Server (NTRS)

Demerdash, N. A.; Nehl, T. W.

1980-01-01

A comprehensive digital model for the analysis and possible optimization of the closed loop dynamic (instantaneous) performance of a power conditioner fed, brushless dc motor powered, electromechanical actuator system (EMA) is presented. This model was developed for the simulation of the dynamic performance of an actual prototype EMA built for NASA-JSC as a possible alternative to hydraulic actuators for consideration in Space Shuttle Orbiter applications. Excellent correlation was achieved between numerical model simulation and experimental test results obtained from the actual hardware. These results include: various current and voltage waveforms in the machine-power conditioner (MPC) unit, flap position as well as other control loop variables in response to step commands of change of flap position. These results with consequent conclusions are detailed in the paper.

Hydrogen maser frequency standard computer model for automatic cavity tuning servo simulations

NASA Technical Reports Server (NTRS)

Potter, P. D.; Finnie, C.

1978-01-01

A computer model of the JPL hydrogen maser frequency standard was developed. This model allows frequency stability data to be generated, as a function of various maser parameters, many orders of magnitude faster than these data can be obtained by experimental test. In particular, the maser performance as a function of the various automatic tuning servo parameters may be readily determined. Areas of discussion include noise sources, first-order autotuner loop, second-order autotuner loop, and a comparison of the loops.

Propulsion Powertrain Real-Time Simulation Using Hardware-in-the-Loop (HIL) for Aircraft Electric Propulsion System

NASA Technical Reports Server (NTRS)

Choi, Benjamin B.; Brown, Gerald V.

2017-01-01

It is essential to design a propulsion powertrain real-time simulator using the hardware-in-the-loop (HIL) system that emulates an electrified aircraft propulsion (EAP) systems power grid. This simulator would enable us to facilitate in-depth understanding of the system principles, to validate system model analysis and performance prediction, and to demonstrate the proof-of-concept of the EAP electrical system. This paper describes how subscale electrical machines with their controllers can mimic the power components in an EAP powertrain. In particular, three powertrain emulations are presented to mimic 1) a gas turbo-=shaft engine driving a generator, consisting of two permanent magnet (PM) motors with brushless motor drives, coupled by a shaft, 2) a motor driving a propulsive fan, and 3) a turbo-shaft engine driven fan (turbofan engine) operation. As a first step towards the demonstration, experimental dynamic characterization of the two motor drive systems, coupled by a mechanical shaft, were performed. The previously developed analytical motor models1 were then replaced with the experimental motor models to perform the real-time demonstration in the predefined flight path profiles. This technique can convert the plain motor system into a unique EAP power grid emulator that enables rapid analysis and real-time simulation performance using hardware-in-the-loop (HIL).

Response of an all digital phase-locked loop

NASA Technical Reports Server (NTRS)

Garodnick, J.; Greco, J.; Schilling, D. L.

1974-01-01

An all digital phase-locked loop (DPLL) is designed, analyzed, and tested. Three specific configurations are considered, generating first, second, and third order DPLL's; and it is found, using a computer simulation of a noise spike, and verified experimentally, that of these configurations the second-order system is optimum from the standpoint of threshold extension. This substantiates results obtained for analog PLL's.

Influence of the feedback loops in the trp operon of B. subtilis on the system dynamic response and noise amplitude.

PubMed

Zamora-Chimal, Criseida; Santillán, Moisés; Rodríguez-González, Jesús

2012-10-07

In this paper we introduce a mathematical model for the tryptophan operon regulatory pathway in Bacillus subtilis. This model considers the transcription-attenuation, and the enzyme-inhibition regulatory mechanisms. Special attention is paid to the estimation of all the model parameters from reported experimental data. With the aid of this model we investigate, from a mathematical-modeling point of view, whether the existing multiplicity of regulatory feedback loops is advantageous in some sense, regarding the dynamic response and the biochemical noise in the system. The tryptophan operon dynamic behavior is studied by means of deterministic numeric simulations, while the biochemical noise is analyzed with the aid of stochastic simulations. The model feasibility is tested comparing its stochastic and deterministic results with experimental reports. Our results for the wildtype and for a couple of mutant bacterial strains suggest that the enzyme-inhibition feedback loop, dynamically accelerates the operon response, and plays a major role in the reduction of biochemical noise. Also, the transcription-attenuation feedback loop makes the trp operon sensitive to changes in the endogenous tryptophan level, and increases the amplitude of the biochemical noise. Copyright © 2012 Elsevier Ltd. All rights reserved.

In-situ Condition Monitoring of Components in Small Modular Reactors Using Process and Electrical Signature Analysis. Final report, volume 1. Development of experimental flow control loop, data analysis and plant monitoring

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

Upadhyaya, Belle; Hines, J. Wesley; Damiano, Brian

The research and development under this project was focused on the following three major objectives: Objective 1: Identification of critical in-vessel SMR components for remote monitoring and development of their low-order dynamic models, along with a simulation model of an integral pressurized water reactor (iPWR). Objective 2: Development of an experimental flow control loop with motor-driven valves and pumps, incorporating data acquisition and on-line monitoring interface. Objective 3: Development of stationary and transient signal processing methods for electrical signatures, machinery vibration, and for characterizing process variables for equipment monitoring. This objective includes the development of a data analysis toolbox. Themore » following is a summary of the technical accomplishments under this project: - A detailed literature review of various SMR types and electrical signature analysis of motor-driven systems was completed. A bibliography of literature is provided at the end of this report. Assistance was provided by ORNL in identifying some key references. - A review of literature on pump-motor modeling and digital signal processing methods was performed. - An existing flow control loop was upgraded with new instrumentation, data acquisition hardware and software. The upgrading of the experimental loop included the installation of a new submersible pump driven by a three-phase induction motor. All the sensors were calibrated before full-scale experimental runs were performed. - MATLAB-Simulink model of a three-phase induction motor and pump system was completed. The model was used to simulate normal operation and fault conditions in the motor-pump system, and to identify changes in the electrical signatures. - A simulation model of an integral PWR (iPWR) was updated and the MATLAB-Simulink model was validated for known transients. The pump-motor model was interfaced with the iPWR model for testing the impact of primary flow perturbations (upsets) on plant parameters and the pump electrical signatures. Additionally, the reactor simulation is being used to generate normal operation data and data with instrumentation faults and process anomalies. A frequency controller was interfaced with the motor power supply in order to vary the electrical supply frequency. The experimental flow control loop was used to generate operational data under varying motor performance characteristics. Coolant leakage events were simulated by varying the bypass loop flow rate. The accuracy of motor power calculation was improved by incorporating the power factor, computed from motor current and voltage in each phase of the induction motor.- A variety of experimental runs were made for steady-state and transient pump operating conditions. Process, vibration, and electrical signatures were measured using a submersible pump with variable supply frequency. High correlation was seen between motor current and pump discharge pressure signal; similar high correlation was exhibited between pump motor power and flow rate. Wide-band analysis indicated high coherence (in the frequency domain) between motor current and vibration signals. - Wide-band operational data from a PWR were acquired from AMS Corporation and used to develop time-series models, and to estimate signal spectrum and sensor time constant. All the data were from different pressure transmitters in the system, including primary and secondary loops. These signals were pre-processed using the wavelet transform for filtering both low-frequency and high-frequency bands. This technique of signal pre-processing provides minimum distortion of the data, and results in a more optimal estimation of time constants of plant sensors using time-series modeling techniques.« less

Mechanical testing and finite element analysis of orthodontic teardrop loop.

PubMed

Coimbra, Maria Elisa Rodrigues; Penedo, Norman Duque; de Gouvêa, Jayme Pereira; Elias, Carlos Nelson; de Souza Araújo, Mônica Tirre; Coelho, Paulo Guilherme

2008-02-01

Understanding how teeth move in response to mechanical loads is an important aspect of orthodontic treatment. Treatment planning should include consideration of the appliances that will meet the desired loading of the teeth to result in optimized treatment outcomes. The purpose of this study was to evaluate the use of computer simulation to predict the force and the torsion obtained after the activation of tear drop loops of 3 heights. Seventy-five retraction loops were divided into 3 groups according to height (6, 7, and 8 mm). The loops were subjected to tensile load through displacements of 0.5, 1.0, 1.5, and 2.0 mm, and the resulting forces and torques were recorded. The loops were designed in AutoCAD software(2005; Autodesk Systems, Alpharetta, GA), and finite element analysis was performed with Ansys software(version 7.0; Swanson Analysis System, Canonsburg, PA). Statistical analysis of the mechanical experiment results was obtained by ANOVA and the Tukey post-hoc test (P < .01). The correlation test and the paired t test (P < .05) were used to compare the computer simulation with the mechanical experiment. The computer simulation accurately predicted the experimentally determined mechanical behavior of tear drop loops of different heights and should be considered an alternative for designing orthodontic appliances before treatment.

Classical and adaptive control of ex vivo skeletal muscle contractions using Functional Electrical Stimulation (FES)

PubMed Central

Shoemaker, Adam; Grange, Robert W.; Abaid, Nicole; Leonessa, Alexander

2017-01-01

Functional Electrical Stimulation is a promising approach to treat patients by stimulating the peripheral nerves and their corresponding motor neurons using electrical current. This technique helps maintain muscle mass and promote blood flow in the absence of a functioning nervous system. The goal of this work is to control muscle contractions from FES via three different algorithms and assess the most appropriate controller providing effective stimulation of the muscle. An open-loop system and a closed-loop system with three types of model-free feedback controllers were assessed for tracking control of skeletal muscle contractions: a Proportional-Integral (PI) controller, a Model Reference Adaptive Control algorithm, and an Adaptive Augmented PI system. Furthermore, a mathematical model of a muscle-mass-spring system was implemented in simulation to test the open-loop case and closed-loop controllers. These simulations were carried out and then validated through experiments ex vivo. The experiments included muscle contractions following four distinct trajectories: a step, sine, ramp, and square wave. Overall, the closed-loop controllers followed the stimulation trajectories set for all the simulated and tested muscles. When comparing the experimental outcomes of each controller, we concluded that the Adaptive Augmented PI algorithm provided the best closed-loop performance for speed of convergence and disturbance rejection. PMID:28273101

Conformational energy landscape of the acyl pocket loop in acetylcholinesterase: a Monte Carlo-generalized Born model study.

PubMed

Carlacci, Louis; Millard, Charles B; Olson, Mark A

2004-10-01

The X-ray crystal structure of the reaction product of acetylcholinesterase (AChE) with the inhibitor diisopropylphosphorofluoridate (DFP) showed significant structural displacement in a loop segment of residues 287-290. To understand this conformational selection, a Monte Carlo (MC) simulation study was performed of the energy landscape for the loop segment. A computational strategy was applied by using a combined simulated annealing and room temperature Metropolis sampling approach with solvent polarization modeled by a generalized Born (GB) approximation. Results from thermal annealing reveal a landscape topology of broader basin opening and greater distribution of energies for the displaced loop conformation, while the ensemble average of conformations at 298 K favored a shift in populations toward the native by a free-energy difference in good agreement with the estimated experimental value. Residue motions along a reaction profile of loop conformational reorganization are proposed where Arg-289 is critical in determining electrostatic effects of solvent interaction versus Coulombic charging.

Performance improvement of a binary quantized all-digital phase-locked loop with a new aided-acquisition technique

NASA Astrophysics Data System (ADS)

Sandoz, J.-P.; Steenaart, W.

1984-12-01

The nonuniform sampling digital phase-locked loop (DPLL) with sequential loop filter, in which the correction sizes are controlled by the accumulated differences of two additional phase comparators, is graphically analyzed. In the absence of noise and frequency drift, the analysis gives some physical insight into the acquisition and tracking behavior. Taking noise into account, a mathematical model is derived and a random walk technique is applied to evaluate the rms phase error and the mean acquisition time. Experimental results confirm the appropriate simplifying hypotheses used in the numerical analysis. Two related performance measures defined in terms of the rms phase error and the acquisition time for a given SNR are used. These measures provide a common basis for comparing different digital loops and, to a limited extent, also with a first-order linear loop. Finally, the behavior of a modified DPLL under frequency deviation in the presence of Gaussian noise is tested experimentally and by computer simulation.

Is the kinetoplast DNA a percolating network of linked rings at its critical point?

NASA Astrophysics Data System (ADS)

Michieletto, Davide; Marenduzzo, Davide; Orlandini, Enzo

2015-05-01

In this work we present a computational study of the kinetoplast genome, modelled as a large number of semiflexible unknotted loops, which are allowed to link with each other. As the DNA density increases, the systems shows a percolation transition between a gas of unlinked rings and a network of linked loops which spans the whole system. Close to the percolation transition, we find that the mean valency of the network, i.e. the average number of loops which are linked to any one loop, is around three, as found experimentally for the kinetoplast DNA (kDNA). Even more importantly, by simulating the digestion of the network by a restriction enzyme, we show that the distribution of oligomers, i.e. structures formed by a few loops which remain linked after digestion, quantitatively matches experimental data obtained from gel electrophoresis, provided that the density is, once again, close to the percolation transition. With respect to previous work, our analysis builds on a reduced number of assumptions, yet can still fully explain the experimental data. Our findings suggest that the kDNA can be viewed as a network of linked loops positioned very close to the percolation transition, and we discuss the possible biological implications of this remarkable fact.

Neutron Source Facility Training Simulator Based on EPICS

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

Park, Young Soo; Wei, Thomas Y.; Vilim, Richard B.

A plant operator training simulator is developed for training the plant operators as well as for design verification of plant control system (PCS) and plant protection system (PPS) for the Kharkov Institute of Physics and Technology Neutron Source Facility. The simulator provides the operator interface for the whole plant including the sub-critical assembly coolant loop, target coolant loop, secondary coolant loop, and other facility systems. The operator interface is implemented based on Experimental Physics and Industrial Control System (EPICS), which is a comprehensive software development platform for distributed control systems. Since its development at Argonne National Laboratory, it has beenmore » widely adopted in the experimental physics community, e.g. for control of accelerator facilities. This work is the first implementation for a nuclear facility. The main parts of the operator interface are the plant control panel and plant protection panel. The development involved implementation of process variable database, sequence logic, and graphical user interface (GUI) for the PCS and PPS utilizing EPICS and related software tools, e.g. sequencer for sequence logic, and control system studio (CSS-BOY) for graphical use interface. For functional verification of the PCS and PPS, a plant model is interfaced, which is a physics-based model of the facility coolant loops implemented as a numerical computer code. The training simulator is tested and demonstrated its effectiveness in various plant operation sequences, e.g. start-up, shut-down, maintenance, and refueling. It was also tested for verification of the plant protection system under various trip conditions.« less

RNA polymerase II trigger loop residues stabilize and position the incoming nucleotide triphosphate in transcription

PubMed Central

Huang, Xuhui; Wang, Dong; Weiss, Dahlia R.; Bushnell, David A.; Kornberg, Roger D.; Levitt, Michael

2010-01-01

A structurally conserved element, the trigger loop, has been suggested to play a key role in substrate selection and catalysis of RNA polymerase II (pol II) transcription elongation. Recently resolved X-ray structures showed that the trigger loop forms direct interactions with the β-phosphate and base of the matched nucleotide triphosphate (NTP) through residues His1085 and Leu1081, respectively. In order to understand the role of these two critical residues in stabilizing active site conformation in the dynamic complex, we performed all-atom molecular dynamics simulations of the wild-type pol II elongation complex and its mutants in explicit solvent. In the wild-type complex, we found that the trigger loop is stabilized in the “closed” conformation, and His1085 forms a stable interaction with the NTP. Simulations of point mutations of His1085 are shown to affect this interaction; simulations of alternative protonation states, which are inaccessible through experiment, indicate that only the protonated form is able to stabilize the His1085-NTP interaction. Another trigger loop residue, Leu1081, stabilizes the incoming nucleotide position through interaction with the nucleotide base. Our simulations of this Leu mutant suggest a three-component mechanism for correctly positioning the incoming NTP in which (i) hydrophobic contact through Leu1081, (ii) base stacking, and (iii) base pairing work together to minimize the motion of the incoming NTP base. These results complement experimental observations and provide insight into the role of the trigger loop on transcription fidelity. PMID:20798057

Mitigating Communication Delays in Remotely Connected Hardware-in-the-loop Experiments

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

Cale, James; Johnson, Brian; Dall'Anese, Emiliano

Here, this paper introduces a potential approach for mitigating the effects of communication delays between multiple, closed-loop hardware-in-the-loop experiments which are virtually connected, yet physically separated. The method consists of an analytical method for the compensation of communication delays, along with the supporting computational and communication infrastructure. The control design leverages tools for the design of observers for the compensation of measurement errors in systems with time-varying delays. The proposed methodology is validated through computer simulation and hardware experimentation connecting hardware-in-the-loop experiments conducted between laboratories separated by a distance of over 100 km.

Mitigating Communication Delays in Remotely Connected Hardware-in-the-loop Experiments

DOE PAGES

Cale, James; Johnson, Brian; Dall'Anese, Emiliano; ...

2018-03-30

Here, this paper introduces a potential approach for mitigating the effects of communication delays between multiple, closed-loop hardware-in-the-loop experiments which are virtually connected, yet physically separated. The method consists of an analytical method for the compensation of communication delays, along with the supporting computational and communication infrastructure. The control design leverages tools for the design of observers for the compensation of measurement errors in systems with time-varying delays. The proposed methodology is validated through computer simulation and hardware experimentation connecting hardware-in-the-loop experiments conducted between laboratories separated by a distance of over 100 km.

Hardware-in-the-Loop Co-simulation of Distribution Grid for Demand Response

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

Rotger-Griful, Sergi; Chatzivasileiadis, Spyros; Jacobsen, Rune H.

2016-06-20

In modern power systems, co-simulation is proposed as an enabler for analyzing the interactions between disparate systems. This paper introduces the co-simulation platform Virtual Grid Integration Laboratory (VirGIL) including Hardware-in-the-Loop testing, and demonstrates its potential to assess demand response strategies. VirGIL is based on a modular architecture using the Functional Mock-up Interface industrial standard to integrate new simulators. VirGIL combines state-of-the-art simulators in power systems, communications, buildings, and control. In this work, VirGIL is extended with a Hardware-in-the-Loop component to control the ventilation system of a real 12-story building in Denmark. VirGIL capabilities are illustrated in three scenarios: load following,more » primary reserves and load following aggregation. Experimental results show that the system can track one minute changing signals and it can provide primary reserves for up-regulation. Furthermore, the potential of aggregating several ventilation systems is evaluated considering the impact at distribution grid level and the communications protocol effect.« less

Energetics analysis of interstitial loops in single-phase concentrated solid-solution alloys

NASA Astrophysics Data System (ADS)

Wang, Xin-Xin; Niu, Liang-Liang; Wang, Shaoqing

2018-04-01

Systematic energetics analysis on the shape preference, relative stability and radiation-induced segregation of interstitial loops in nickel-containing single-phase concentrated solid-solution alloys have been conducted using atomistic simulations. It is shown that the perfect loops prefer rhombus shape for its low potential energy, while the Frank faulted loops favor ellipse for its low potential energy and the possible large configurational entropy. The decrease of stacking fault energy with increasing compositional complexity provides the energetic driving force for the formation of faulted loops, which, in conjunction with the kinetic factors, explains the experimental observation that the fraction of faulted loops rises with increasing compositional complexity. Notably, the kinetics is primarily responsible for the absence of faulted loops in nickel-cobalt with a very low stacking fault energy. We further demonstrate that the simultaneous nickel enrichment and iron/chromium depletion on interstitial loops can be fully accounted for by their energetics.

Formation of prismatic loops from C15 Laves phase interstitial clusters in body-centered cubic iron

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

Zhang, Yongfeng; Bai, Xian-Ming; Tonks, Michael R.

2015-03-01

This Letter reports the transition of C15 phase self-interstitial clusters to loops in body-centered-cubic Iron. Molecular dynamics simulations are performed to evaluate the relative stabilities of difference interstitial cluster configurations including C15 phase structure and <100> and <111>/2 loops. Within a certain size range, C15 cluster are found more stable than loops, and the relative stabilities are reversed beyond that range. In accordance to the crossover in relative stabilities, C15 clusters may grow by absorbing individual interstitials at small sizes and transitions into loops eventually. The transition takes place by nucleation and reaction of <111>/2 loop segments. These observations explainmore » the absence of C15 phase interstitial clusters predicted by density-functional-theory calculations in previous experimental observations. More importantly, the current results provide a new formation mechanism of <100> loops which requires no interaction of loops.« less

Atomistic study of the hardening of ferritic iron by Ni-Cr decorated dislocation loops

NASA Astrophysics Data System (ADS)

Bonny, G.; Bakaev, A.; Terentyev, D.; Zhurkin, E.; Posselt, M.

2018-01-01

The exact nature of the radiation defects causing hardening in reactor structural steels consists of several components that are not yet clearly determined. While generally, the hardening is attributed to dislocation loops, voids and secondary phases (radiation-induced precipitates), recent advanced experimental and computational studies point to the importance of solute-rich clusters (SRCs). Depending on the exact composition of the steel, SRCs may contain Mn, Ni and Cu (e.g. in reactor pressure vessel steels) or Ni, Cr, Si, Mn (e.g. in high-chromium steels for generation IV and fusion applications). One of the hypotheses currently implied to explain their formation is the process of radiation-induced diffusion and segregation of these elements to small dislocation loops (heterogeneous nucleation), so that the distinction between SRCs and loops becomes somewhat blurred. In this work, we perform an atomistic study to investigate the enrichment of loops by Ni and Cr solutes and their interaction with an edge dislocation. The dislocation loops decorated with Ni and Cr solutes are obtained by Monte Carlo simulations, while the effect of solute segregation on the loop's strength and interaction mechanism is then addressed by large scale molecular dynamics simulations. The synergy of the Cr-Ni interaction and their competition to occupy positions in the dislocation loop core are specifically clarified.

A proof-of-principle simulation for closed-loop control based on preexisting experimental thalamic DBS-enhanced instrumental learning.

PubMed

Wang, Ching-Fu; Yang, Shih-Hung; Lin, Sheng-Huang; Chen, Po-Chuan; Lo, Yu-Chun; Pan, Han-Chi; Lai, Hsin-Yi; Liao, Lun-De; Lin, Hui-Ching; Chen, Hsu-Yan; Huang, Wei-Chen; Huang, Wun-Jhu; Chen, You-Yin

Deep brain stimulation (DBS) has been applied as an effective therapy for treating Parkinson's disease or essential tremor. Several open-loop DBS control strategies have been developed for clinical experiments, but they are limited by short battery life and inefficient therapy. Therefore, many closed-loop DBS control systems have been designed to tackle these problems by automatically adjusting the stimulation parameters via feedback from neural signals, which has been reported to reduce the power consumption. However, when the association between the biomarkers of the model and stimulation is unclear, it is difficult to develop an optimal control scheme for other DBS applications, i.e., DBS-enhanced instrumental learning. Furthermore, few studies have investigated the effect of closed-loop DBS control for cognition function, such as instrumental skill learning, and have been implemented in simulation environments. In this paper, we proposed a proof-of-principle design for a closed-loop DBS system, cognitive-enhancing DBS (ceDBS), which enhanced skill learning based on in vivo experimental data. The ceDBS acquired local field potential (LFP) signal from the thalamic central lateral (CL) nuclei of animals through a neural signal processing system. A strong coupling of the theta oscillation (4-7 Hz) and the learning period was found in the water reward-related lever-pressing learning task. Therefore, the theta-band power ratio, which was the averaged theta band to averaged total band (1-55 Hz) power ratio, could be used as a physiological marker for enhancement of instrumental skill learning. The on-line extraction of the theta-band power ratio was implemented on a field-programmable gate array (FPGA). An autoregressive with exogenous inputs (ARX)-based predictor was designed to construct a CL-thalamic DBS model and forecast the future physiological marker according to the past physiological marker and applied DBS. The prediction could further assist the design of a closed-loop DBS controller. A DBS controller based on a fuzzy expert system was devised to automatically control DBS according to the predicted physiological marker via a set of rules. The simulated experimental results demonstrate that the ceDBS based on the closed-loop control architecture not only reduced power consumption using the predictive physiological marker, but also achieved a desired level of physiological marker through the DBS controller. Copyright © 2017 Elsevier Inc. All rights reserved.

Experimental investigation of control/display augmentation effects in a compensatory tracking task

NASA Technical Reports Server (NTRS)

Garg, Sanjay; Schmidt, David K.

1988-01-01

The effects of control/display augmentation on human performance and workload have been investigated for closed-loop, continuous-tracking tasks by a real-time, man-in-the-loop simulation study. The experimental results obtained indicate that only limited improvement in actual tracking performance is obtainable through display augmentation alone; with a very high level of display augmentation, tracking error will actually deteriorate. Tracking performance improves when status information is furnished for reasonable levels of display quickening; again, very high quickening levels lead to tracking error deterioration due to the incompatibility between the status information and the quickened signal.

Formation of chromosomal domains in interphase by loop extrusion

NASA Astrophysics Data System (ADS)

Fudenberg, Geoffrey

While genomes are often considered as one-dimensional sequences, interphase chromosomes are organized in three dimensions with an essential role for regulating gene expression. Recent studies have shown that Topologically Associating Domains (TADs) are fundamental structural and functional building blocks of human interphase chromosomes. Despite observations that architectural proteins, including CTCF, demarcate and maintain the borders of TADs, the mechanisms underlying TAD formation remain unknown. Here we propose that loop extrusion underlies the formation TADs. In this process, cis-acting loop-extruding factors, likely cohesins, form progressively larger loops, but stall at TAD boundaries due to interactions with boundary proteins, including CTCF. This process dynamically forms loops of various sizes within but not between TADs. Using polymer simulations, we find that loop extrusion can produce TADs as determined by our analyses of the highest-resolution experimental data. Moreover, we find that loop extrusion can explain many diverse experimental observations, including: the preferential orientation of CTCF motifs and enrichments of architectural proteins at TAD boundaries; TAD boundary deletion experiments; and experiments with knockdown or depletion of CTCF, cohesin, and cohesin-loading factors. Together, the emerging picture from our work is that TADs are formed by rapidly associating, growing, and dissociating loops, presenting a clear framework for understanding interphase chromosomal organization.

Development of a hardware-in-loop attitude control simulator for a CubeSat satellite

NASA Astrophysics Data System (ADS)

Tapsawat, Wittawat; Sangpet, Teerawat; Kuntanapreeda, Suwat

2018-01-01

Attitude control is an important part in satellite on-orbit operation. It greatly affects the performance of satellites. Testing of an attitude determination and control subsystem (ADCS) is very challenging since it might require attitude dynamics and space environment in the orbit. This paper develops a low-cost hardware-in-loop (HIL) simulator for testing an ADCS of a CubeSat satellite. The simulator consists of a numerical simulation part, a hardware part, and a HIL interface hardware unit. The numerical simulation part includes orbital dynamics, attitude dynamics and Earth’s magnetic field. The hardware part is the real ADCS board of the satellite. The simulation part outputs satellite’s angular velocity and geomagnetic field information to the HIL interface hardware. Then, based on this information, the HIL interface hardware generates I2C signals mimicking the signals of the on-board rate-gyros and magnetometers and consequently outputs the signals to the ADCS board. The ADCS board reads the rate-gyro and magnetometer signals, calculates control signals, and drives the attitude actuators which are three magnetic torquers (MTQs). The responses of the MTQs sensed by a separated magnetometer are feedback to the numerical simulation part completing the HIL simulation loop. Experimental studies are conducted to demonstrate the feasibility and effectiveness of the simulator.

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.

Modeling and Simulation of a Parametrically Resonant Micromirror With Duty-Cycled Excitation.

PubMed

Shahid, Wajiha; Qiu, Zhen; Duan, Xiyu; Li, Haijun; Wang, Thomas D; Oldham, Kenn R

2014-12-01

High frequency large scanning angle electrostatically actuated microelectromechanical systems (MEMS) mirrors are used in a variety of applications involving fast optical scanning. A 1-D parametrically resonant torsional micromirror for use in biomedical imaging is analyzed here with respect to operation by duty-cycled square waves. Duty-cycled square wave excitation can have significant advantages for practical mirror regulation and/or control. The mirror's nonlinear dynamics under such excitation is analyzed in a Hill's equation form. This form is used to predict stability regions (the voltage-frequency relationship) of parametric resonance behavior over large scanning angles using iterative approximations for nonlinear capacitance behavior of the mirror. Numerical simulations are also performed to obtain the mirror's frequency response over several voltages for various duty cycles. Frequency sweeps, stability results, and duty cycle trends from both analytical and simulation methods are compared with experimental results. Both analytical models and simulations show good agreement with experimental results over the range of duty cycled excitations tested. This paper discusses the implications of changing amplitude and phase with duty cycle for robust open-loop operation and future closed-loop operating strategies.

Review of hardware-in-the-loop simulation and its prospects in the automotive area

NASA Astrophysics Data System (ADS)

Fathy, Hosam K.; Filipi, Zoran S.; Hagena, Jonathan; Stein, Jeffrey L.

2006-05-01

Hardware-in-the-loop (HIL) simulation is rapidly evolving from a control prototyping tool to a system modeling, simulation, and synthesis paradigm synergistically combining many advantages of both physical and virtual prototyping. This paper provides a brief overview of the key enablers and numerous applications of HIL simulation, focusing on its metamorphosis from a control validation tool into a system development paradigm. It then describes a state-of-the art engine-in-the-loop (EIL) simulation facility that highlights the use of HIL simulation for the system-level experimental evaluation of powertrain interactions and development of strategies for clean and efficient propulsion. The facility comprises a real diesel engine coupled to accurate real-time driver, driveline, and vehicle models through a highly responsive dynamometer. This enables the verification of both performance and fuel economy predictions of different conventional and hybrid powertrains. Furthermore, the facility can both replicate the highly dynamic interactions occurring within a real powertrain and measure their influence on transient emissions and visual signature through state-of-the-art instruments. The viability of this facility for integrated powertrain system development is demonstrated through a case study exploring the development of advanced High Mobility Multipurpose Wheeled Vehicle (HMMWV) powertrains.

Central safety factor and β N control on NSTX-U via beam power and plasma boundary shape modification, using TRANSP for closed loop simulations

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

Boyer, M. D.; Andre, R.; Gates, D. A.

The high-performance operational goals of NSTX-U will require development of advanced feedback control algorithms, including control of ßN and the safety factor profile. In this work, a novel approach to simultaneously controlling ßN and the value of the safety factor on the magnetic axis, q0, through manipulation of the plasma boundary shape and total beam power, is proposed. Simulations of the proposed scheme show promising results and motivate future experimental implementation and eventual integration into a more complex current profile control scheme planned to include actuation of individual beam powers, density, and loop voltage. As part of this work, amore » flexible framework for closed loop simulations within the high-fidelity code TRANSP was developed. The framework, used here to identify control-design-oriented models and to tune and test the proposed controller, exploits many of the predictive capabilities of TRANSP and provides a means for performing control calculations based on user-supplied data (controller matrices, target waveforms, etc.). The flexible framework should enable high-fidelity testing of a variety of control algorithms, thereby reducing the amount of expensive experimental time needed to implement new control algorithms on NSTX-U and other devices.« less

Central safety factor and βN control on NSTX-U via beam power and plasma boundary shape modification, using TRANSP for closed loop simulations

NASA Astrophysics Data System (ADS)

Boyer, M. D.; Andre, R.; Gates, D. A.; Gerhardt, S.; Goumiri, I. R.; Menard, J.

2015-05-01

The high-performance operational goals of NSTX-U will require development of advanced feedback control algorithms, including control of βN and the safety factor profile. In this work, a novel approach to simultaneously controlling βN and the value of the safety factor on the magnetic axis, q0, through manipulation of the plasma boundary shape and total beam power, is proposed. Simulations of the proposed scheme show promising results and motivate future experimental implementation and eventual integration into a more complex current profile control scheme planned to include actuation of individual beam powers, density, and loop voltage. As part of this work, a flexible framework for closed loop simulations within the high-fidelity code TRANSP was developed. The framework, used here to identify control-design-oriented models and to tune and test the proposed controller, exploits many of the predictive capabilities of TRANSP and provides a means for performing control calculations based on user-supplied data (controller matrices, target waveforms, etc). The flexible framework should enable high-fidelity testing of a variety of control algorithms, thereby reducing the amount of expensive experimental time needed to implement new control algorithms on NSTX-U and other devices.

Simulations of magnetic hysteresis loops at high temperatures

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

Plumer, M. L.; Whitehead, J. P.; Fal, T. J.

2014-09-28

The kinetic Monte-Carlo algorithm as well as standard micromagnetics are used to simulate MH loops of high anisotropy magnetic recording media at both short and long time scales over a wide range of temperatures relevant to heat-assisted magnetic recording. Microscopic parameters, common to both methods, were determined by fitting to experimental data on single-layer FePt-based media that uses the Magneto-Optic Kerr effect with a slow sweep rate of 700 Oe/s. Saturation moment, uniaxial anisotropy, and exchange constants are given an intrinsic temperature dependence based on published atomistic simulations of FePt grains with an effective Curie temperature of 680 K. Ourmore » results show good agreement between micromagnetics and kinetic Monte Carlo results over a wide range of sweep rates. Loops at the slow experimental sweep rates are found to become more square-shaped, with an increasing slope, as temperature increases from 300 K. These effects also occur at higher sweep rates, typical of recording speeds, but are much less pronounced. These results demonstrate the need for accurate determination of intrinsic thermal properties of future recording media as input to micromagnetic models as well as the sensitivity of the switching behavior of thin magnetic films to applied field sweep rates at higher temperatures.« less

Experimental and theoretical investigation of the magnetization dynamics of an artificial square spin ice cluster

NASA Astrophysics Data System (ADS)

Pohlit, Merlin; Stockem, Irina; Porrati, Fabrizio; Huth, Michael; Schröder, Christian; Müller, Jens

2016-10-01

We study the magnetization dynamics of a spin ice cluster which is a building block of an artificial square spin ice fabricated by focused electron-beam-induced deposition both experimentally and theoretically. The spin ice cluster is composed of twelve interacting Co nanoislands grown directly on top of a high-resolution micro-Hall sensor. By employing micromagnetic simulations and a macrospin model, we calculate the magnetization and the experimentally investigated stray field emanating from a single nanoisland. The parameters determined from a comparison with the experimental hysteresis loop are used to derive an effective single-dipole macrospin model that allows us to investigate the dynamics of the spin ice cluster. Our model reproduces the experimentally observed non-deterministic sequences in the magnetization curves as well as the distinct temperature dependence of the hysteresis loop.

Multi-Evaporator Miniature Loop Heat Pipe for Small Spacecraft Thermal Control. Part 2; Validation Results

NASA Technical Reports Server (NTRS)

Ku, Jentung; Ottenstein, Laura; Douglas, Donya; Hoang, Triem

2010-01-01

Under NASA s New Millennium Program Space Technology 8 (ST 8) Project, Goddard Space Fight Center has conducted a Thermal Loop experiment to advance the maturity of the Thermal Loop technology from proof of concept to prototype demonstration in a relevant environment , i.e. from a technology readiness level (TRL) of 3 to a level of 6. The thermal Loop is an advanced thermal control system consisting of a miniature loop heat pipe (MLHP) with multiple evaporators and multiple condensers designed for future small system applications requiring low mass, low power, and compactness. The MLHP retains all features of state-of-the-art loop heat pipes (LHPs) and offers additional advantages to enhance the functionality, performance, versatility, and reliability of the system. An MLHP breadboard was built and tested in the laboratory and thermal vacuum environments for the TRL 4 and TRL 5 validations, respectively, and an MLHP proto-flight unit was built and tested in a thermal vacuum chamber for the TRL 6 validation. In addition, an analytical model was developed to simulate the steady state and transient behaviors of the MLHP during various validation tests. The MLHP demonstrated excellent performance during experimental tests and the analytical model predictions agreed very well with experimental data. All success criteria at various TRLs were met. Hence, the Thermal Loop technology has reached a TRL of 6. This paper presents the validation results, both experimental and analytical, of such a technology development effort.

Bio-Inspired Controller on an FPGA Applied to Closed-Loop Diaphragmatic Stimulation

PubMed Central

Zbrzeski, Adeline; Bornat, Yannick; Hillen, Brian; Siu, Ricardo; Abbas, James; Jung, Ranu; Renaud, Sylvie

2016-01-01

Cervical spinal cord injury can disrupt connections between the brain respiratory network and the respiratory muscles which can lead to partial or complete loss of ventilatory control and require ventilatory assistance. Unlike current open-loop technology, a closed-loop diaphragmatic pacing system could overcome the drawbacks of manual titration as well as respond to changing ventilation requirements. We present an original bio-inspired assistive technology for real-time ventilation assistance, implemented in a digital configurable Field Programmable Gate Array (FPGA). The bio-inspired controller, which is a spiking neural network (SNN) inspired by the medullary respiratory network, is as robust as a classic controller while having a flexible, low-power and low-cost hardware design. The system was simulated in MATLAB with FPGA-specific constraints and tested with a computational model of rat breathing; the model reproduced experimentally collected respiratory data in eupneic animals. The open-loop version of the bio-inspired controller was implemented on the FPGA. Electrical test bench characterizations confirmed the system functionality. Open and closed-loop paradigm simulations were simulated to test the FPGA system real-time behavior using the rat computational model. The closed-loop system monitors breathing and changes in respiratory demands to drive diaphragmatic stimulation. The simulated results inform future acute animal experiments and constitute the first step toward the development of a neuromorphic, adaptive, compact, low-power, implantable device. The bio-inspired hardware design optimizes the FPGA resource and time costs while harnessing the computational power of spike-based neuromorphic hardware. Its real-time feature makes it suitable for in vivo applications. PMID:27378844

Defining the Nature of Thermal Intermediate in 3 State Folding Proteins: Apoflavodoxin, a Study Case

PubMed Central

García-Fandiño, Rebeca; Bernadó, Pau; Ayuso-Tejedor, Sara; Sancho, Javier; Orozco, Modesto

2012-01-01

The early stages of the thermal unfolding of apoflavodoxin have been determined by using atomistic multi microsecond-scale molecular dynamics (MD) simulations complemented with a variety of experimental techniques. Results strongly suggest that the intermediate is reached very early in the thermal unfolding process and that it has the properties of an “activated” form of the native state, where thermal fluctuations in the loops break loop-loop contacts. The unrestrained loops gain then kinetic energy corrupting short secondary structure elements without corrupting the core of the protein. The MD-derived ensembles agree with experimental observables and draw a picture of the intermediate state inconsistent with a well-defined structure and characteristic of a typical partially disordered protein. Our results allow us to speculate that proteins with a well packed core connected by long loops might behave as partially disordered proteins under native conditions, or alternatively behave as three state folders. Small details in the sequence, easily tunable by evolution, can yield to one or the other type of proteins. PMID:22927805

Modelling irradiation-induced softening in BCC iron by crystal plasticity approach

NASA Astrophysics Data System (ADS)

Xiao, Xiazi; Terentyev, Dmitry; Yu, Long; Song, Dingkun; Bakaev, A.; Duan, Huiling

2015-11-01

Crystal plasticity model (CPM) for BCC iron to account for radiation-induced strain softening is proposed. CPM is based on the plastically-driven and thermally-activated removal of dislocation loops. Atomistic simulations are applied to parameterize dislocation-defect interactions. Combining experimental microstructures, defect-hardening/absorption rules from atomistic simulations, and CPM fitted to properties of non-irradiated iron, the model achieves a good agreement with experimental data regarding radiation-induced strain softening and flow stress increase under neutron irradiation.

Virtual Induction Loops Based on Cooperative Vehicular Communications

PubMed Central

Gramaglia, Marco; Bernardos, Carlos J.; Calderon, Maria

2013-01-01

Induction loop detectors have become the most utilized sensors in traffic management systems. The gathered traffic data is used to improve traffic efficiency (i.e., warning users about congested areas or planning new infrastructures). Despite their usefulness, their deployment and maintenance costs are expensive. Vehicular networks are an emerging technology that can support novel strategies for ubiquitous and more cost-effective traffic data gathering. In this article, we propose and evaluate VIL (Virtual Induction Loop), a simple and lightweight traffic monitoring system based on cooperative vehicular communications. The proposed solution has been experimentally evaluated through simulation using real vehicular traces. PMID:23348033

Nonequilibrium Chromosome Looping via Molecular Slip Links

NASA Astrophysics Data System (ADS)

Brackley, C. A.; Johnson, J.; Michieletto, D.; Morozov, A. N.; Nicodemi, M.; Cook, P. R.; Marenduzzo, D.

2017-09-01

We propose a model for the formation of chromatin loops based on the diffusive sliding of molecular slip links. These mimic the behavior of molecules like cohesin, which, along with the CTCF protein, stabilize loops which contribute to organizing the genome. By combining 3D Brownian dynamics simulations and 1D exactly solvable nonequilibrium models, we show that diffusive sliding is sufficient to account for the strong bias in favor of convergent CTCF-mediated chromosome loops observed experimentally. We also find that the diffusive motion of multiple slip links along chromatin is rectified by an intriguing ratchet effect that arises if slip links bind to the chromatin at a preferred "loading site." This emergent collective behavior favors the extrusion of loops which are much larger than the ones formed by single slip links.

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

Rikvold, Per Arne; Brown, Gregory; Miyashita, Seiji

Phase diagrams and hysteresis loops were obtained by Monte Carlo simulations and a mean- field method for a simplified model of a spin-crossovermaterialwith a two-step transition between the high-spin and low-spin states. This model is a mapping onto a square-lattice S = 1/2 Ising model with antiferromagnetic nearest-neighbor and ferromagnetic Husimi-Temperley ( equivalent-neighbor) long-range interactions. Phase diagrams obtained by the two methods for weak and strong long-range interactions are found to be similar. However, for intermediate-strength long-range interactions, the Monte Carlo simulations show that tricritical points decompose into pairs of critical end points and mean-field critical points surrounded by horn-shapedmore » regions of metastability. Hysteresis loops along paths traversing the horn regions are strongly reminiscent of thermal two-step transition loops with hysteresis, recently observed experimentally in several spin-crossover materials. As a result, we believe analogous phenomena should be observable in experiments and simulations for many systems that exhibit competition between local antiferromagnetic-like interactions and long-range ferromagnetic-like interactions caused by elastic distortions.« less

Mathematical model development and simulation of heat pump fruit dryer

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

Achariyaviriya, S.; Soponronnarit, S.; Terdyothin, A.

2000-01-01

A mathematical model of a heat pump fruit dryer was developed to study the performance of heat pump dryers. Using the moisture content of papaya glace drying, the refrigerant temperature at the evaporator and condenser and the performance, was verified. It was found that the simulated results using closed loop heat pump dryer were close to the experimental results. The criteria for evaluating the performance were specific moisture extraction rate and drying rate. The results showed that ambient conditions affected significantly on the performance of the open loop dryer and the partially closed loop dryer. Also, the fraction of evaporatormore » bypass air affected markedly the performance of all heat pump dryers. In addition, it was found that specific air flow rate and drying air temperature affected significantly the performance of all heat pump dryers.« less

Using virtual instruments to develop an actuator-based hardware-in-the-loop simulation test-bed for autopilot of unmanned aerial vehicle

NASA Astrophysics Data System (ADS)

Sun, Yun-Ping; Ju, Jiun-Yan; Liang, Yen-Chu

2008-12-01

Since the unmanned aerial vehicles (UAVs) bring forth many innovative applications in scientific, civilian, and military fields, the development of UAVs is rapidly growing every year. The on-board autopilot that reliably performs attitude and guidance control is a vital part for out-of-sight flights. However, the control law in autopilot is designed according to a simplified plant model in which the dynamics of real hardware are usually not taken into consideration. It is a necessity to develop a test-bed including real servos to make real-time control experiments for prototype autopilots, so called hardware-in-the-loop (HIL) simulation. In this paper on the basis of the graphical application software LabVIEW, the real-time HIL simulation system is realized efficiently by the virtual instrumentation approach. The proportional-integral-derivative (PID) controller in autopilot for the pitch angle control loop is experimentally determined by the classical Ziegler-Nichols tuning rule and exhibits good transient and steady-state response in real-time HIL simulation. From the results the differences between numerical simulation and real-time HIL simulation are also clearly presented. The effectiveness of HIL simulation for UAV autopilot design is definitely confirmed

Electronic Circuit Experiments and SPICE Simulation of Double Covering Bifurcation of 2-Torus Quasi-Periodic Flow in Phase-Locked Loop Circuit

NASA Astrophysics Data System (ADS)

Kamiyama, Kyohei; Endo, Tetsuro; Imai, Isao; Komuro, Motomasa

2016-06-01

Double covering (DC) bifurcation of a 2-torus quasi-periodic flow in a phase-locked loop circuit was experimentally investigated using an electronic circuit and via SPICE simulation; in the circuit, the input radio-frequency signal was frequency modulated by the sum of two asynchronous sinusoidal baseband signals. We observed both DC and period-doubling bifurcations of a discrete map on two Poincaré sections, which were realized by changing the sample timing from one baseband sinusoidal signal to the other. The results confirm the DC bifurcation of the original flow.

An Analytical Comparison of the Fidelity of "Large Motion" Versus "Small Motion" Flight Simulators in a Rotorcraft Side-Step Task

NASA Technical Reports Server (NTRS)

Hess, Ronald A.

1999-01-01

This paper presents an analytical and experimental methodology for studying flight simulator fidelity. The task was a rotorcraft bob-up/down maneuver in which vertical acceleration constituted the motion cue. The task considered here is aside-step maneuver that differs from the bob-up one important way: both roll and lateral acceleration cues are available to the pilot. It has been communicated to the author that in some Verticle Motion Simulator (VMS) studies, the lateral acceleration cue has been found to be the most important. It is of some interest to hypothesize how this motion cue associated with "outer-loop" lateral translation fits into the modeling procedure where only "inner-loop " motion cues were considered. This Note is an attempt at formulating such an hypothesis and analytically comparing a large-motion simulator, e.g., the VMS, with a small-motion simulator, e.g., a hexapod.

Open-loop simulations of atmospheric turbulence using the AdAPS interface

NASA Astrophysics Data System (ADS)

Widiker, Jeffrey J.; Magee, Eric P.

2005-08-01

We present and analyze experimental results of lab-based open-loop turbulence simulation utilizing the Adaptive Aberrating Phase Screen Interface developed by ATK Mission Research, which incorporates a 2-D spatial light modulator manufactured by Boulder Nonlinear Systems. These simulations demonstrate the effectiveness of a SLM to simulate various atmospheric turbulence scenarios in a laboratory setting without altering the optical setup. This effectiveness is shown using several figures of merit including: long-term Strehl ratio, time-dependant mean-tilt analysis, and beam break-up geometry. The scenarios examined here range from relatively weak (D/ro = 0.167) to quite strong (D/ro = 10) turbulence effects modeled using a single phase-screen placed at the pupil of a Fourier Transforming lens. While very strong turbulence scenarios result long-term Strehl ratios higher than expected, the SLM provided an accurate simulation of atmospheric effects for conventional phase-screen strengths.

X-38 Experimental Controls Laws

NASA Technical Reports Server (NTRS)

Munday, Steve; Estes, Jay; Bordano, Aldo J.

2000-01-01

X-38 Experimental Control Laws X-38 is a NASA JSC/DFRC experimental flight test program developing a series of prototypes for an International Space Station (ISS) Crew Return Vehicle, often called an ISS "lifeboat." X- 38 Vehicle 132 Free Flight 3, currently scheduled for the end of this month, will be the first flight test of a modem FCS architecture called Multi-Application Control-Honeywell (MACH), originally developed by the Honeywell Technology Center. MACH wraps classical P&I outer attitude loops around a modem dynamic inversion attitude rate loop. The dynamic inversion process requires that the flight computer have an onboard aircraft model of expected vehicle dynamics based upon the aerodynamic database. Dynamic inversion is computationally intensive, so some timing modifications were made to implement MACH on the slower flight computers of the subsonic test vehicles. In addition to linear stability margin analyses and high fidelity 6-DOF simulation, hardware-in-the-loop testing is used to verify the implementation of MACH and its robustness to aerodynamic and environmental uncertainties and disturbances.

Structural variations of single and tandem mismatches in RNA duplexes: a joint MD simulation and crystal structure database analysis.

PubMed

Halder, Sukanya; Bhattacharyya, Dhananjay

2012-10-04

Internal loops within RNA duplex regions are formed by single or tandem basepairing mismatches with flanking canonical Watson-Crick basepairs on both sides. They are the most common motif observed in RNA secondary structures and play integral functional and structural roles. In this report, we have studied the structural features of 1 × 1, 2 × 2, and 3 × 3 internal loops using all-atom molecular dynamics (MD) simulation technique with explicit solvent model. As MD simulation is intricately dependent on the choice of force-field and these are often rather approximate, we have used both the most popular force-fields for nucleic acids-CHARMM27 and AMBER94-for a comparative analysis. We find that tandem noncanonical basepairs forming 2 × 2 and 3 × 3 internal loops are considerably more stable than the single mismatches forming 1 × 1 internal loops, irrespective of the force field. We have also analyzed crystal structure database to study the conservation of these helical fragments in the corresponding sets of RNA structures. We observe that the nature of stability in MD simulations mimic their fluctuating natures in crystal data sets also, probably indicating reliable natures of both the force fields to reproduce experimental results. We also notice significant structural changes in the wobble G:U basepairs present in these double helical stretches, leading to a biphasic stability for these wobble pairs to release the deformational strains introduced by internal loops within duplex regions.

Simulated binding of transcription factors to active and inactive regions folds human chromosomes into loops, rosettes and topological domains

PubMed Central

Brackley, Chris A.; Johnson, James; Kelly, Steven; Cook, Peter R.; Marenduzzo, Davide

2016-01-01

Biophysicists are modeling conformations of interphase chromosomes, often basing the strengths of interactions between segments distant on the genetic map on contact frequencies determined experimentally. Here, instead, we develop a fitting-free, minimal model: bivalent or multivalent red and green ‘transcription factors’ bind to cognate sites in strings of beads (‘chromatin’) to form molecular bridges stabilizing loops. In the absence of additional explicit forces, molecular dynamic simulations reveal that bound factors spontaneously cluster—red with red, green with green, but rarely red with green—to give structures reminiscent of transcription factories. Binding of just two transcription factors (or proteins) to active and inactive regions of human chromosomes yields rosettes, topological domains and contact maps much like those seen experimentally. This emergent ‘bridging-induced attraction’ proves to be a robust, simple and generic force able to organize interphase chromosomes at all scales. PMID:27060145

Development of a novel multi-layer MRE isolator for suppression of building vibrations under seismic events

NASA Astrophysics Data System (ADS)

Yang, Jian; Sun, Shuaishuai; Tian, Tongfei; Li, Weihua; Du, Haiping; Alici, Gursel; Nakano, Masami

2016-03-01

Protecting civil engineering structures from uncontrollable events such as earthquakes while maintaining their structural integrity and serviceability is very important; this paper describes the performance of a stiffness softening magnetorheological elastomer (MRE) isolator in a scaled three storey building. In order to construct a closed-loop system, a scaled three storey building was designed and built according to the scaling laws, and then four MRE isolator prototypes were fabricated and utilised to isolate the building from the motion induced by a scaled El Centro earthquake. Fuzzy logic was used to output the current signals to the isolators, based on the real-time responses of the building floors, and then a simulation was used to evaluate the feasibility of this closed loop control system before carrying out an experimental test. The simulation and experimental results showed that the stiffness softening MRE isolator controlled by fuzzy logic could suppress structural vibration well.

Analysis of dead zone sources in a closed-loop fiber optic gyroscope.

PubMed

Chong, Kyoung-Ho; Choi, Woo-Seok; Chong, Kil-To

2016-01-01

Analysis of the dead zone is among the intensive studies in a closed-loop fiber optic gyroscope. In a dead zone, a gyroscope cannot detect any rotation and produces a zero bias. In this study, an analysis of dead zone sources is performed in simulation and experiments. In general, the problem is mainly due to electrical cross coupling and phase modulation drift. Electrical cross coupling is caused by interference between modulation voltage and the photodetector. The cross-coupled signal produces spurious gyro bias and leads to a dead zone if it is larger than the input rate. Phase modulation drift as another dead zone source is due to the electrode contamination, the piezoelectric effect of the LiNbO3 substrate, or to organic fouling. This modulation drift lasts for a short or long period of time like a lead-lag filter response and produces gyro bias error, noise spikes, or dead zone. For a more detailed analysis, the cross-coupling effect and modulation phase drift are modeled as a filter and are simulated in both the open-loop and closed-loop modes. The sources of dead zone are more clearly analyzed in the simulation and experimental results.

Experimental and theoretical investigation of the magnetization dynamics of an artificial square spin ice cluster

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

Pohlit, Merlin, E-mail: pohlit@physik.uni-frankfurt.de; Porrati, Fabrizio; Huth, Michael

We study the magnetization dynamics of a spin ice cluster which is a building block of an artificial square spin ice fabricated by focused electron-beam-induced deposition both experimentally and theoretically. The spin ice cluster is composed of twelve interacting Co nanoislands grown directly on top of a high-resolution micro-Hall sensor. By employing micromagnetic simulations and a macrospin model, we calculate the magnetization and the experimentally investigated stray field emanating from a single nanoisland. The parameters determined from a comparison with the experimental hysteresis loop are used to derive an effective single-dipole macrospin model that allows us to investigate the dynamicsmore » of the spin ice cluster. Our model reproduces the experimentally observed non-deterministic sequences in the magnetization curves as well as the distinct temperature dependence of the hysteresis loop.« less

Design and experimental evaluation of robust controllers for a two-wheeled robot

NASA Astrophysics Data System (ADS)

Kralev, J.; Slavov, Ts.; Petkov, P.

2016-11-01

The paper presents the design and experimental evaluation of two alternative μ-controllers for robust vertical stabilisation of a two-wheeled self-balancing robot. The controllers design is based on models derived by identification from closed-loop experimental data. In the first design, a signal-based uncertainty representation obtained directly from the identification procedure is used, which leads to a controller of order 29. In the second design the signal uncertainty is approximated by an input multiplicative uncertainty, which leads to a controller of order 50, subsequently reduced to 30. The performance of the two μ-controllers is compared with the performance of a conventional linear quadratic controller with 17th-order Kalman filter. A proportional-integral controller of the rotational motion around the vertical axis is implemented as well. The control code is generated using Simulink® controller models and is embedded in a digital signal processor. Results from the simulation of the closed-loop system as well as experimental results obtained during the real-time implementation of the designed controllers are given. The theoretical investigation and experimental results confirm that the closed-loop system achieves robust performance in respect to the uncertainties related to the identified robot model.

Engineering the thermostability of β-glucuronidase from Penicillium purpurogenum Li-3 by loop transplant.

PubMed

Feng, Xudong; Tang, Heng; Han, Beijia; Zhang, Liang; Lv, Bo; Li, Chun

2016-12-01

In this study, we proposed a loop transplant strategy to improve the thermostability of Penicillium purpurogenum Li-3 β-glucuronidase expressed in Escherichia coli (abbreviated to PGUS-E). Firstly, three unstable surface loops of PGUS-E to be replaced were identified with regards to B-factor values and in-depth structure analysis: loops 205-211, 258-263, and 25-31. Then, based on B-factor analysis, eight stable loops for substitution were selected from two typical thermophilic glycosidases which had low homology with PGUS-E (less than 25 %). By analyzing the common features of these stable loops, it was found that they shared a common residue skeleton DXXTX(X)R, based on this, three chimera loops were also manually designed: RSQTSND, RSSTQRD, and DDQTSR. All these loops were introduced to replace the unstable loops of PGUS-E by homology structure modeling, and only mutants with increased hydrogen bonds number and good compatibility with the local mutated region were further subjected to experimental verification. By using this strategy, 10 mutants were experimentally generated, among which three mutants, M1, M3, and M8, were obtained which showed 11.8, 3.3, and 9.4 times higher half-life at 70 °C than that of wild-type (8.5 min). Finally, the MD simulation indicated that the increased hydrogen bonds, decreased flexibility of N-terminal, and increased π-π stacking interaction were responsible for the improved thermostability.

Global properties in an experimental realization of time-delayed feedback control with an unstable control loop.

PubMed

Höhne, Klaus; Shirahama, Hiroyuki; Choe, Chol-Ung; Benner, Hartmut; Pyragas, Kestutis; Just, Wolfram

2007-05-25

We demonstrate by electronic circuit experiments the feasibility of an unstable control loop to stabilize torsion-free orbits by time-delayed feedback control. Corresponding analytical normal form calculations and numerical simulations reveal a severe dependence of the basin of attraction on the particular coupling scheme of the control force. Such theoretical predictions are confirmed by the experiments and emphasize the importance of the coupling scheme for the global control performance.

Multi-Megawatt-Scale Power-Hardware-in-the-Loop Interface for Testing Ancillary Grid Services by Converter-Coupled Generation: Preprint

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

Koralewicz, Przemyslaw J; Gevorgian, Vahan; Wallen, Robert B

Power-hardware-in-the-loop (PHIL) is a simulation tool that can support electrical systems engineers in the development and experimental validation of novel, advanced control schemes that ensure the robustness and resiliency of electrical grids that have high penetrations of low-inertia variable renewable resources. With PHIL, the impact of the device under test on a generation or distribution system can be analyzed using a real-time simulator (RTS). PHIL allows for the interconnection of the RTS with a 7 megavolt ampere (MVA) power amplifier to test multi-megawatt renewable assets available at the National Wind Technology Center (NWTC). This paper addresses issues related to themore » development of a PHIL interface that allows testing hardware devices at actual scale. In particular, the novel PHIL interface algorithm and high-speed digital interface, which minimize the critical loop delay, are discussed.« less

Multi-Megawatt-Scale Power-Hardware-in-the-Loop Interface for Testing Ancillary Grid Services by Converter-Coupled Generation

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

Koralewicz, Przemyslaw J; Gevorgian, Vahan; Wallen, Robert B

Power-hardware-in-the-loop (PHIL) is a simulation tool that can support electrical systems engineers in the development and experimental validation of novel, advanced control schemes that ensure the robustness and resiliency of electrical grids that have high penetrations of low-inertia variable renewable resources. With PHIL, the impact of the device under test on a generation or distribution system can be analyzed using a real-time simulator (RTS). PHIL allows for the interconnection of the RTS with a 7 megavolt ampere (MVA) power amplifier to test multi-megawatt renewable assets available at the National Wind Technology Center (NWTC). This paper addresses issues related to themore » development of a PHIL interface that allows testing hardware devices at actual scale. In particular, the novel PHIL interface algorithm and high-speed digital interface, which minimize the critical loop delay, are discussed.« less

Modeling and Simulation of a Parametrically Resonant Micromirror With Duty-Cycled Excitation

PubMed Central

Shahid, Wajiha; Qiu, Zhen; Duan, Xiyu; Li, Haijun; Wang, Thomas D.; Oldham, Kenn R.

2014-01-01

High frequency large scanning angle electrostatically actuated microelectromechanical systems (MEMS) mirrors are used in a variety of applications involving fast optical scanning. A 1-D parametrically resonant torsional micromirror for use in biomedical imaging is analyzed here with respect to operation by duty-cycled square waves. Duty-cycled square wave excitation can have significant advantages for practical mirror regulation and/or control. The mirror’s nonlinear dynamics under such excitation is analyzed in a Hill’s equation form. This form is used to predict stability regions (the voltage-frequency relationship) of parametric resonance behavior over large scanning angles using iterative approximations for nonlinear capacitance behavior of the mirror. Numerical simulations are also performed to obtain the mirror’s frequency response over several voltages for various duty cycles. Frequency sweeps, stability results, and duty cycle trends from both analytical and simulation methods are compared with experimental results. Both analytical models and simulations show good agreement with experimental results over the range of duty cycled excitations tested. This paper discusses the implications of changing amplitude and phase with duty cycle for robust open-loop operation and future closed-loop operating strategies. PMID:25506188

Experimental control of a fluidic pinball using genetic programming

NASA Astrophysics Data System (ADS)

Raibaudo, Cedric; Zhong, Peng; Noack, Bernd R.; Martinuzzi, Robert J.

2017-11-01

The wake stabilization of a triangular cluster of three rotating cylinders was investigated in the present study. Experiments were performed at Reynolds number Re 6000, and compared with URANS-2D simulations at same flow conditions. 2D2C PIV measurements and constant temperature anemometry were used to characterize the flow without and with actuation. Open-loop actuation was first considered for the identification of particular control strategies. Machine learning control was also implemented for the experimental study. Linear genetic programming has been used for the optimization of open-loop parameters and closed-loop controllers. Considering a cost function J based on the fluctuations of the velocity measured by the hot-wire sensor, significant performances were achieved using the machine learning approach. The present work is supported by the senior author's (R. J. Martinuzzi) NSERC discovery Grant. C. Raibaudo acknowledges the financial support of the University of Calgary Eyes-High PDF program.

Charlotte - EDC Evaluation and Demonstration (CEED) Human-in-the-Loop Results Briefing to ATD-2 FAA Partners

NASA Technical Reports Server (NTRS)

Chevalley, Eric

2016-01-01

The Charlotte EDC Evaluation and Demonstration (CEED) was the first Human-In-The-Loop experiment under the Air Traffic Management Technology Demonstration-2 (ATD-2) project. The purpose of the study was fourfold: 1) to establish a simulation environment (Charlotte) for airspace operations for ATD-2 technology, 2) to simulate current-day departures and arrival operations, 3) to assess the impact of current Traffic Management Initiatives (TMI) on Charlotte (CLT) departure flows and en route operations in Washington (ZDC) and Atlanta Centers (ZTL), and 4) to assess the impact of departure takeoff time compliance on airspace operations. The experimental design compared 3 TMIs and 2 compliance levels. Fourteen FAA retired controllers participated in the simulation. In addition, two Traffic Management Coordinators from ZTL and ZDC managed traffic flows. Surface and airborne delays, control efficiency, throughput, realism, workload, and acceptability were assessed and will be compared across the experimental conditions. Participants rated the simulation as very realistic. Results indicate that different TMIs have different impacts on surface and airspace delay. Departure compliance indicates partial benefits to sector complexity and controller workload. This simulation will provide an initial assessment of the tactical scheduling problems that the ATD-2 technology will address in the near term.

CFAVC scheme for high frequency series resonant inverter-fed domestic induction heating system

NASA Astrophysics Data System (ADS)

Nagarajan, Booma; Reddy Sathi, Rama

2016-01-01

This article presents the investigations on the constant frequency asymmetric voltage cancellation control in the AC-AC resonant converter-fed domestic induction heating system. Conventional fixed frequency control techniques used in the high frequency converters lead to non-zero voltage switching operation and reduced output power. The proposed control technique produces higher output power than the conventional fixed-frequency control strategies. In this control technique, zero-voltage-switching operation is maintained during different duty cycle operation for reduction in the switching losses. Complete analysis of the induction heating power supply system with asymmetric voltage cancellation control is discussed in this article. Simulation and experimental study on constant frequency asymmetric voltage cancellation (CFAVC)-controlled full bridge series resonant inverter is performed. Time domain simulation results for the open and closed loop of the system are obtained using MATLAB simulation tool. The simulation results prove the control of voltage and power in a wide range. PID controller-based closed loop control system achieves the voltage regulation of the proposed system for the step change in load. Hardware implementation of the system under CFAVC control is done using the embedded controller. The simulation and experimental results validate the performance of the CFAVC control technique for series resonant-based induction cooking system.

Numerical Simulation of the Oscillations in a Mixer: An Internal Aeroacoustic Feedback System

NASA Technical Reports Server (NTRS)

Jorgenson, Philip C. E.; Loh, Ching Y.

2004-01-01

The space-time conservation element and solution element method is employed to numerically study the acoustic feedback system in a high temperature, high speed wind tunnel mixer. The computation captures the self-sustained feedback loop between reflecting Mach waves and the shear layer. This feedback loop results in violent instabilities that are suspected of causing damage to some tunnel components. The computed frequency is in good agreement with the available experimental data. The physical phenomena are explained based on the numerical results.

Man-in-the-control-loop simulation of manipulators

NASA Technical Reports Server (NTRS)

Chang, J. L.; Lin, Tsung-Chieh; Yae, K. Harold

1989-01-01

A method to achieve man-in-the-control-loop simulation is presented. Emerging real-time dynamics simulation suggests a potential for creating an interactive design workstation with a human operator in the control loop. The recursive formulation for multibody dynamics simulation is studied to determine requirements for man-in-the-control-loop simulation. High speed computer graphics techniques provides realistic visual cues for the simulator. Backhoe and robot arm simulations are implemented to demonstrate the capability of man-in-the-control-loop simulation.

F-14 modeling study

NASA Technical Reports Server (NTRS)

Levison, William H.

1988-01-01

This study explored application of a closed loop pilot/simulator model to the analysis of some simulator fidelity issues. The model was applied to two data bases: (1) a NASA ground based simulation of an air-to-air tracking task in which nonvisual cueing devices were explored, and (2) a ground based and inflight study performed by the Calspan Corporation to explore the effects of simulator delay on attitude tracking performance. The model predicted the major performance trends obtained in both studies. A combined analytical and experimental procedure for exploring simulator fidelity issues is outlined.

Aviation human-in-the-loop simulation studies : experimental planning, design, and data management.

DOT National Transportation Integrated Search

2014-01-01

Researchers from the NASAAmes Flight Cognition Laband the FAAs Aerospace Human Factors Research Lab at the Civil Aerospace Medical Instituteexamined task and workload management by single pilots in very light jets, also called entry-level jets.Thi...

Tri-FAST Hardware-in-the-Loop Simulation. Volume I. Tri-FAST Hardware-in-the-Loop Simulation at the Advanced Simulation Center

DTIC Science & Technology

1979-03-28

TECHNICAL REPORT T-79-43 TRI- FAST HARDWARE-IN-THE-LOOP SIMULATION Volume 1: Trn FAST Hardware-In-the. Loop Simulation at the Advanced Simulation...Identify by block number) Tri- FAST Hardware-in-the-Loop ACSL Advanced Simulation Center Simulation RF Target Models I a. AfIACT ( sin -oveme skit N nem...e n tdositr by block number) The purpose of this report is to document the Tri- FAST missile simulation development and the seeker hardware-in-the

Dynamics and unfolding pathway of chimeric azurin variants: insights from molecular dynamics simulation.

PubMed

Evoli, Stefania; Guzzi, Rita; Rizzuti, Bruno

2013-10-01

The spectroscopic, thermal, and functional properties of blue copper proteins can be modulated by mutations in the metal binding loop. Molecular dynamics simulation was used to compare the conformational properties of azurin and two chimeric variants, which were obtained by inserting into the azurin scaffold the copper binding loop of amicyanin and plastocyanin, respectively. Simulations at room temperature show that the proteins retain their overall structure and exhibit concerted motions among specific inner regions, as revealed by principal component analysis. Molecular dynamics at high temperature indicates that the first events in the unfolding pathway are structurally similar in the three proteins and unfolding starts from the region of the α-helix that is far from the metal binding loop. The results provide details of the denaturation process that are consistent with experimental data and in close agreement with other computational approaches, suggesting a distinct mechanism of unfolding of azurin and its chimeric variants. Moreover, differences observed in the dynamics of specific regions in the three proteins correlate with their thermal behavior, contributing to the determination of the basic factors that influence the stability.

Equilibrium, metastability, and hysteresis in a model spin-crossover material with nearest-neighbor antiferromagnetic-like and long-range ferromagnetic-like interactions

NASA Astrophysics Data System (ADS)

Rikvold, Per Arne; Brown, Gregory; Miyashita, Seiji; Omand, Conor; Nishino, Masamichi

2016-02-01

Phase diagrams and hysteresis loops were obtained by Monte Carlo simulations and a mean-field method for a simplified model of a spin-crossover material with a two-step transition between the high-spin and low-spin states. This model is a mapping onto a square-lattice S =1 /2 Ising model with antiferromagnetic nearest-neighbor and ferromagnetic Husimi-Temperley (equivalent-neighbor) long-range interactions. Phase diagrams obtained by the two methods for weak and strong long-range interactions are found to be similar. However, for intermediate-strength long-range interactions, the Monte Carlo simulations show that tricritical points decompose into pairs of critical end points and mean-field critical points surrounded by horn-shaped regions of metastability. Hysteresis loops along paths traversing the horn regions are strongly reminiscent of thermal two-step transition loops with hysteresis, recently observed experimentally in several spin-crossover materials. We believe analogous phenomena should be observable in experiments and simulations for many systems that exhibit competition between local antiferromagnetic-like interactions and long-range ferromagnetic-like interactions caused by elastic distortions.

Energetics of codon-anticodon recognition on the small ribosomal subunit.

PubMed

Almlöf, Martin; Andér, Martin; Aqvist, Johan

2007-01-09

Recent crystal structures of the small ribosomal subunit have made it possible to examine the detailed energetics of codon recognition on the ribosome by computational methods. The binding of cognate and near-cognate anticodon stem loops to the ribosome decoding center, with mRNA containing the Phe UUU and UUC codons, are analyzed here using explicit solvent molecular dynamics simulations together with the linear interaction energy (LIE) method. The calculated binding free energies are in excellent agreement with experimental binding constants and reproduce the relative effects of mismatches in the first and second codon position versus a mismatch at the wobble position. The simulations further predict that the Leu2 anticodon stem loop is about 10 times more stable than the Ser stem loop in complex with the Phe UUU codon. It is also found that the ribosome significantly enhances the intrinsic stability differences of codon-anticodon complexes in aqueous solution. Structural analysis of the simulations confirms the previously suggested importance of the universally conserved nucleotides A1492, A1493, and G530 in the decoding process.

Analysis of the bacterial luciferase mobile loop by replica-exchange molecular dynamics.

PubMed

Campbell, Zachary T; Baldwin, Thomas O; Miyashita, Osamu

2010-12-15

Bacterial luciferase contains an extended 29-residue mobile loop. Movements of this loop are governed by binding of either flavin mononucleotide (FMNH2) or polyvalent anions. To understand this process, loop dynamics were investigated using replica-exchange molecular dynamics that yielded conformational ensembles in either the presence or absence of FMNH2. The resulting data were analyzed using clustering and network analysis. We observed the closed conformations that are visited only in the simulations with the ligand. Yet the mobile loop is intrinsically flexible, and FMNH2 binding modifies the relative populations of conformations. This model provides unique information regarding the function of a crystallographically disordered segment of the loop near the binding site. Structures at or near the fringe of this network were compatible with flavin binding or release. Finally, we demonstrate that the crystallographically observed conformation of the mobile loop bound to oxidized flavin was influenced by crystal packing. Thus, our study has revealed what we believe are novel conformations of the mobile loop and additional context for experimentally determined structures. Copyright © 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Analytical and Experimental Evaluation of Digital Control Systems for the Semi-Span Super-Sonic Transport (S4T) Wind Tunnel Model

NASA Technical Reports Server (NTRS)

Wieseman, Carol D.; Christhilf, David; Perry, Boyd, III

2012-01-01

An important objective of the Semi-Span Super-Sonic Transport (S4T) wind tunnel model program was the demonstration of Flutter Suppression (FS), Gust Load Alleviation (GLA), and Ride Quality Enhancement (RQE). It was critical to evaluate the stability and robustness of these control laws analytically before testing them and experimentally while testing them to ensure safety of the model and the wind tunnel. MATLAB based software was applied to evaluate the performance of closed-loop systems in terms of stability and robustness. Existing software tools were extended to use analytical representations of the S4T and the control laws to analyze and evaluate the control laws prior to testing. Lessons were learned about the complex windtunnel model and experimental testing. The open-loop flutter boundary was determined from the closed-loop systems. A MATLAB/Simulink Simulation developed under the program is available for future work to improve the CPE process. This paper is one of a series of that comprise a special session, which summarizes the S4T wind-tunnel program.

Asymmetric dual-loop feedback to suppress spurious tones and reduce timing jitter in self-mode-locked quantum-dash lasers emitting at 155 μm

NASA Astrophysics Data System (ADS)

Asghar, Haroon; McInerney, John G.

2017-09-01

We demonstrate an asymmetric dual-loop feedback scheme to suppress external cavity side-modes induced in self-mode-locked quantum-dash lasers with conventional single and dual-loop feedback. In this letter, we achieved optimal suppression of spurious tones by optimizing the length of second delay time. We observed that asymmetric dual-loop feedback, with large (~8x) disparity in cavity lengths, eliminates all external-cavity side-modes and produces flat RF spectra close to the main peak with low timing jitter compared to single-loop feedback. Significant reduction in RF linewidth and reduced timing jitter was also observed as a function of increased second feedback delay time. The experimental results based on this feedback configuration validate predictions of recently published numerical simulations. This interesting asymmetric dual-loop feedback scheme provides simplest, efficient and cost effective stabilization of side-band free optoelectronic oscillators based on mode-locked lasers.

Kinetics of Internal-Loop Formation in Polypeptide Chains: A Simulation Study

PubMed Central

Doucet, Dana; Roitberg, Adrian; Hagen, Stephen J.

2007-01-01

The speed of simple diffusional motions, such as the formation of loops in the polypeptide chain, places one physical limit on the speed of protein folding. Many experimental studies have explored the kinetics of formation of end-to-end loops in polypeptide chains; however, protein folding more often requires the formation of contacts between interior points on the chain. One expects that, for loops of fixed contour length, interior loops will form more slowly than end-to-end loops, owing to the additional excluded volume associated with the “tails”. We estimate the magnitude of this effect by generating ensembles of randomly coiled, freely jointed chains, and then using the theory of Szabo, Schulten, and Schulten to calculate the corresponding contact formation rates for these ensembles. Adding just a few residues, to convert an end-to-end loop to an internal loop, sharply decreases the contact rate. Surprisingly, the relative change in rate increases for a longer loop; sufficiently long tails, however, actually reverse the effect and accelerate loop formation slightly. Our results show that excluded volume effects in real, full-length polypeptides may cause the rates of loop formation during folding to depart significantly from the values derived from recent loop-formation experiments on short peptides. PMID:17208979

Active vibration absorber for CSI evolutionary model: Design and experimental results

NASA Technical Reports Server (NTRS)

Bruner, Anne M.; Belvin, W. Keith; Horta, Lucas G.; Juang, Jer-Nan

1991-01-01

The development of control of large flexible structures technology must include practical demonstration to aid in the understanding and characterization of controlled structures in space. To support this effort, a testbed facility was developed to study practical implementation of new control technologies under realistic conditions. The design is discussed of a second order, acceleration feedback controller which acts as an active vibration absorber. This controller provides guaranteed stability margins for collocated sensor/actuator pairs in the absence of sensor/actuator dynamics and computational time delay. The primary performance objective considered is damping augmentation of the first nine structural modes. Comparison of experimental and predicted closed loop damping is presented, including test and simulation time histories for open and closed loop cases. Although the simulation and test results are not in full agreement, robustness of this design under model uncertainty is demonstrated. The basic advantage of this second order controller design is that the stability of the controller is model independent.

Analysis of a DNA simulation model through hairpin melting experiments.

PubMed

Linak, Margaret C; Dorfman, Kevin D

2010-09-28

We compare the predictions of a two-bead Brownian dynamics simulation model to melting experiments of DNA hairpins with complementary AT or GC stems and noninteracting loops in buffer A. This system emphasizes the role of stacking and hydrogen bonding energies, which are characteristics of DNA, rather than backbone bending, stiffness, and excluded volume interactions, which are generic characteristics of semiflexible polymers. By comparing high throughput data on the open-close transition of various DNA hairpins to the corresponding simulation data, we (1) establish a suitable metric to compare the simulations to experiments, (2) find a conversion between the simulation and experimental temperatures, and (3) point out several limitations of the model, including the lack of G-quartets and cross stacking effects. Our approach and experimental data can be used to validate similar coarse-grained simulation models.

A Closed-Loop Hardware Simulation of Decentralized Satellite Formation Control

NASA Technical Reports Server (NTRS)

Ebimuma, Takuji; Lightsey, E. Glenn; Baur, Frank (Technical Monitor)

2002-01-01

In recent years, there has been significant interest in the use of formation flying spacecraft for a variety of earth and space science missions. Formation flying may provide smaller and cheaper satellites that, working together, have more capability than larger and more expensive satellites. Several decentralized architectures have been proposed for autonomous establishment and maintenance of satellite formations. In such architectures, each satellite cooperatively maintains the shape of the formation without a central supervisor, and processing only local measurement information. The Global Positioning System (GPS) sensors are ideally suited to provide such local position and velocity measurements to the individual satellites. An investigation of the feasibility of a decentralized approach to satellite formation flying was originally presented by Carpenter. He extended a decentralized linear-quadratic-Gaussian (LQG) framework proposed by Speyer in a fashion similar to an extended Kalman filter (EKE) which processed GPS position fix solutions. The new decentralized LQG architecture was demonstrated in a numerical simulation for a realistic scenario that is similar to missions that have been proposed by NASA and the U.S. Air Force. Another decentralized architecture was proposed by Park et al. using carrier differential-phase GPS (CDGPS). Recently, Busse et al demonstrated the decentralized CDGPS architecture in a hardware-in-the-loop simulation on the Formation Flying TestBed (FFTB) at Goddard Space Flight Center (GSFC), which features two Spirent Cox 16 channel GPS signal generator. Although representing a step forward by utilizing GPS signal simulators for a spacecraft formation flying simulation, only an open-loop performance, in which no maneuvers were executed based on the real-time state estimates, was considered. In this research, hardware experimentation has been extended to include closed-loop integrated guidance and navigation of multiple spacecraft formations using GPS receivers and real-time vehicle telemetry. A hardware closed-loop simulation has been performed using the decentralized LQG architecture proposed by Carpenter in the GPS test facility at the Center for Space Research (CSR). This is the first presentation using this type of hardware for demonstration of closed-loop spacecraft formation flying.

Hysteresis behaviors in a ferrimagnetic Ising nanotube with hexagonal core-shell structure

NASA Astrophysics Data System (ADS)

Liu, Ying; Wang, Wei; Lv, Dan; Zhao, Xue-ru; Huang, Te; Wang, Ze-yuan

2018-07-01

Monte Carlo simulation has been employed to study the hysteresis behaviors of a ferrimagnetic mixed-spin (1, 3/2) Ising nanotube with hexagonal core-shell structure. The effects of different single-ion anisotropies, exchange couplings and temperature on the hysteresis loops of the system and sublattices are discussed in detail. Multiple hysteresis loops such as triple loops have been observed in the system under certain physical parameters. It is found that the anisotropy, the exchange coupling and the temperature strongly affect the coercivities and the remanences of the system and the sublattices. Comparing our results with other theoretical and experimental studies, a satisfactory agreement can be achieved qualitatively.

Closed-Loop System Identification Experience for Flight Control Law and Flying Qualities Evaluation of a High Performance Fighter Aircraft

NASA Technical Reports Server (NTRS)

Murphy, Patrick C.

1996-01-01

This paper highlights some of the results and issues associated with estimating models to evaluate control law design methods and design criteria for advanced high performance aircraft. Experimental fighter aircraft such as the NASA-High Alpha Research Vehicle (HARV) have the capability to maneuver at very high angles of attack where nonlinear aerodynamics often predominate. HARV is an experimental F/A-18, configured with thrust vectoring and conformal actuated nose strakes. Identifying closed-loop models for this type of aircraft can be made difficult by nonlinearities and high order characteristics of the system. In this paper, only lateral-directional axes are considered since the lateral-directional control law was specifically designed to produce classical airplane responses normally expected with low-order, rigid-body systems. Evaluation of the control design methodology was made using low-order equivalent systems determined from flight and simulation. This allowed comparison of the closed-loop rigid-body dynamics achieved in flight with that designed in simulation. In flight, the On Board Excitation System was used to apply optimal inputs to lateral stick and pedals at five angles at attack : 5, 20, 30, 45, and 60 degrees. Data analysis and closed-loop model identification were done using frequency domain maximum likelihood. The structure of identified models was a linear state-space model reflecting classical 4th-order airplane dynamics. Input time delays associated with the high-order controller and aircraft system were accounted for in data preprocessing. A comparison of flight estimated models with small perturbation linear design models highlighted nonlinearities in the system and indicated that the closed-loop rigid-body dynamics were sensitive to input amplitudes at 20 and 30 degrees angle of attack.

Closed-Loop System Identification Experience for Flight Control Law and Flying Qualities Evaluation of a High Performance Fighter Aircraft

NASA Technical Reports Server (NTRS)

Murphy, Patrick C.

1999-01-01

This paper highlights some of the results and issues associated with estimating models to evaluate control law design methods and design criteria for advanced high performance aircraft. Experimental fighter aircraft such as the NASA High Alpha Research Vehicle (HARV) have the capability to maneuver at very high angles of attack where nonlinear aerodynamics often predominate. HARV is an experimental F/A-18, configured with thrust vectoring and conformal actuated nose strakes. Identifying closed-loop models for this type of aircraft can be made difficult by nonlinearities and high-order characteristics of the system. In this paper only lateral-directional axes are considered since the lateral-directional control law was specifically designed to produce classical airplane responses normally expected with low-order, rigid-body systems. Evaluation of the control design methodology was made using low-order equivalent systems determined from flight and simulation. This allowed comparison of the closed-loop rigid-body dynamics achieved in flight with that designed in simulation. In flight, the On Board Excitation System was used to apply optimal inputs to lateral stick and pedals at five angles of attack: 5, 20, 30, 45, and 60 degrees. Data analysis and closed-loop model identification were done using frequency domain maximum likelihood. The structure of the identified models was a linear state-space model reflecting classical 4th-order airplane dynamics. Input time delays associated with the high-order controller and aircraft system were accounted for in data preprocessing. A comparison of flight estimated models with small perturbation linear design models highlighted nonlinearities in the system and indicated that the estimated closed-loop rigid-body dynamics were sensitive to input amplitudes at 20 and 30 degrees angle of attack.

Research of laser echo signal simulator

NASA Astrophysics Data System (ADS)

Xu, Rui; Shi, Rui; Wang, Xin; Li, Zhou

2015-11-01

Laser echo signal simulator is one of the most significant components of hardware-in-the-loop (HWIL) simulation systems for LADAR. System model and time series model of laser echo signal simulator are established. Some influential factors which could induce fixed error and random error on the simulated return signals are analyzed, and then these system insertion errors are analyzed quantitatively. Using this theoretical model, the simulation system is investigated experimentally. The results corrected by subtracting fixed error indicate that the range error of the simulated laser return signal is less than 0.25m, and the distance range that the system can simulate is from 50m to 20km.

A GPS Phase-Locked Loop Performance Metric Based on the Phase Discriminator Output

PubMed Central

Stevanovic, Stefan; Pervan, Boris

2018-01-01

We propose a novel GPS phase-lock loop (PLL) performance metric based on the standard deviation of tracking error (defined as the discriminator’s estimate of the true phase error), and explain its advantages over the popular phase jitter metric using theory, numerical simulation, and experimental results. We derive an augmented GPS phase-lock loop (PLL) linear model, which includes the effect of coherent averaging, to be used in conjunction with this proposed metric. The augmented linear model allows more accurate calculation of tracking error standard deviation in the presence of additive white Gaussian noise (AWGN) as compared to traditional linear models. The standard deviation of tracking error, with a threshold corresponding to half of the arctangent discriminator pull-in region, is shown to be a more reliable/robust measure of PLL performance under interference conditions than the phase jitter metric. In addition, the augmented linear model is shown to be valid up until this threshold, which facilitates efficient performance prediction, so that time-consuming direct simulations and costly experimental testing can be reserved for PLL designs that are much more likely to be successful. The effect of varying receiver reference oscillator quality on the tracking error metric is also considered. PMID:29351250

Simulation and experiment of a fuzzy logic based MPPT controller for a small wind turbine system

NASA Astrophysics Data System (ADS)

Petrila, Diana; Muntean, Nicolae

2012-09-01

This paper describes the development of a fuzzy logic based maximum power point tracking (MPPT) strategy for a variable speed wind turbine system (VSWT). For this scope, a fuzzy logic controller (FLC) was described, simulated and tested on a real time "hardware in the loop" wind turbine emulator. Simulation and experimental results show that the controller is able to track the maximum power point for various wind conditions and validate the proposed control strategy.

Wavefront control in adaptive microscopy using Shack-Hartmann sensors with arbitrarily shaped pupils.

PubMed

Dong, Bing; Booth, Martin J

2018-01-22

In adaptive optical microscopy of thick biological tissue, strong scattering and aberrations can change the effective pupil shape by rendering some Shack-Hartmann spots unusable. The change of pupil shape leads to a change of wavefront reconstruction or control matrix that should be updated accordingly. Modified slope and modal wavefront control methods based on measurements of a Shack-Hartmann wavefront sensor are proposed to accommodate an arbitrarily shaped pupil. Furthermore, we present partial wavefront control methods that remove specific aberration modes like tip, tilt and defocus from the control loop. The proposed control methods were investigated and compared by simulation using experimentally obtained aberration data. The performance was then tested experimentally through closed-loop aberration corrections using an obscured pupil.

A circular polarization converter based on in-linked loop antenna frequency selective surface

NASA Astrophysics Data System (ADS)

Wang, Shen-Yun; Liu, Wei; Geyi, Wen

2018-06-01

In this paper, we report the design, fabrication and measurement of a circular polarization converter based on an in-linked loop-antenna frequency selective surface. The building unit cell is the in-linked loop-antenna module, which consists of same front and back planar loop antennas in-linked by a pair of through-via holes passing through a sandwiched perforated metal ground plane. The proposed device can achieve transmission polarization conversions from right- or left-handed circularly polarized waves to left- or right-handed ones, respectively, or vice versa. Simulation and experimental results show that it has relative conversion ratio of near unity at resonant frequency and very low Joule insertion loss in the operating frequency band. The proposed circular polarization converter may be applied to wireless systems where circular polarization diversity is needed.

Control of Warm Compression Stations Using Model Predictive Control: Simulation and Experimental Results

NASA Astrophysics Data System (ADS)

Bonne, F.; Alamir, M.; Bonnay, P.

2017-02-01

This paper deals with multivariable constrained model predictive control for Warm Compression Stations (WCS). WCSs are subject to numerous constraints (limits on pressures, actuators) that need to be satisfied using appropriate algorithms. The strategy is to replace all the PID loops controlling the WCS with an optimally designed model-based multivariable loop. This new strategy leads to high stability and fast disturbance rejection such as those induced by a turbine or a compressor stop, a key-aspect in the case of large scale cryogenic refrigeration. The proposed control scheme can be used to achieve precise control of pressures in normal operation or to avoid reaching stopping criteria (such as excessive pressures) under high disturbances (such as a pulsed heat load expected to take place in future fusion reactors, expected in the cryogenic cooling systems of the International Thermonuclear Experimental Reactor ITER or the Japan Torus-60 Super Advanced fusion experiment JT-60SA). The paper details the simulator used to validate this new control scheme and the associated simulation results on the SBTs WCS. This work is partially supported through the French National Research Agency (ANR), task agreement ANR-13-SEED-0005.

Temperature dependence of looping rates in a short peptide.

PubMed

Roccatano, Danilo; Sahoo, Harekrushna; Zacharias, Martin; Nau, Werner M

2007-03-15

Knowledge of the influence of chain length and amino acid sequence on the structural and dynamic properties of small peptides in solution provides essential information on protein folding pathways. The combination of time-resolved optical spectroscopy and molecular dynamics (MD) simulation methods has become a powerful tool to investigate the kinetics of end-to-end collisions (looping rates) in short peptides, which are relevant in early protein folding events. We applied the combination of both techniques to study temperature-dependent (280-340 K) looping rates of the Dbo-AlaGlyGln-Trp-NH2 peptide, where Dbo represents a 2,3-diazabicyclo[2.2.2]oct-2-ene-labeled asparagine, which served as a fluorescent probe in the time-resolved spectroscopic experiments. The experimental looping rates increased from 4.8 x 10(7) s(-1) at 283 K to 2.0 x 10(8) s(-1) at 338 K in H2O. The corresponding Arrhenius plot provided as activation parameters Ea = 21.5 +/- 1.0 kJ mol(-1) and ln(A/s-1) = 26.8 +/- 0.2 in H2O. The results in D2O were consistent with a slight solvent viscosity effect, i.e., the looping rates were 10-20% slower. MD simulations were performed with the GROMOS96 force field in a water solvent model, which required first a parametrization of the synthetic amino acid Dbo. After corrections for solvent viscosity effects, the calculated looping rates varied from 1.5 x 10(8) s(-1) at 280 K to 8.2 x 10(8) s(-1) at 340 K in H2O, which was about four times larger than the experimental data. The calculated activation parameters were Ea = 24.7 +/- 1.5 kJ mol(-1) and ln(A/s(-1)) = 29.4 +/- 0.1 in H2O.

Pressure and temperature fluctuation simulation of J-PARC cryogenic hydrogen system

NASA Astrophysics Data System (ADS)

Tatsumoto, H.; Ohtsu, K.; Aso, T.; Kawakami, Y.

2015-12-01

The J-PARC cryogenic hydrogen system provides supercritical cryogenic hydrogen to the moderators at a pressure of 1.5 MPa and temperature of 18 K and removes 3.8 kW of nuclear heat from the 1 MW proton beam operation. We prepared a heater for thermal compensation and an accumulator, with a bellows structure for volume control, to mitigate the pressure fluctuation caused by switching the proton beam on and off. In this study, a 1-D simulation code named DiSC-SH2 was developed to understand the propagation of pressure and temperature propagations through the hydrogen loop due to on and off switching of the proton beam. We confirmed that the simulated dynamic behaviors in the hydrogen loop for 300-kW and 500-kW proton beam operations agree well with the experimental data under the same conditions.

Experimental and code simulation of a station blackout scenario for APR1400 with test facility ATLAS and MARS code

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

Yu, X. G.; Kim, Y. S.; Choi, K. Y.

2012-07-01

A SBO (station blackout) experiment named SBO-01 was performed at full-pressure IET (Integral Effect Test) facility ATLAS (Advanced Test Loop for Accident Simulation) which is scaled down from the APR1400 (Advanced Power Reactor 1400 MWe). In this study, the transient of SBO-01 is discussed and is subdivided into three phases: the SG fluid loss phase, the RCS fluid loss phase, and the core coolant depletion and core heatup phase. In addition, the typical phenomena in SBO-01 test - SG dryout, natural circulation, core coolant boiling, the PRZ full, core heat-up - are identified. Furthermore, the SBO-01 test is reproduced bymore » the MARS code calculation with the ATLAS model which represents the ATLAS test facility. The experimental and calculated transients are then compared and discussed. The comparison reveals there was malfunction of equipments: the SG leakage through SG MSSV and the measurement error of loop flow meter. As the ATLAS model is validated against the experimental results, it can be further employed to investigate the other possible SBO scenarios and to study the scaling distortions in the ATLAS. (authors)« less

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

Wilson, David G.; Cook, Marvin A.

This report summarizes collaborative efforts between Secure Scalable Microgrid and Korean Institute of Energy Research team members . The efforts aim to advance microgrid research and development towards the efficient utilization of networked microgrids . The collaboration resulted in the identification of experimental and real time simulation capabilities that may be leveraged for networked microgrids research, development, and demonstration . Additional research was performed to support the demonstration of control techniques within real time simulation and with hardware in the loop for DC microgrids .

Control system and method for a universal power conditioning system

DOEpatents

Lai, Jih-Sheng; Park, Sung Yeul; Chen, Chien-Liang

2014-09-02

A new current loop control system method is proposed for a single-phase grid-tie power conditioning system that can be used under a standalone or a grid-tie mode. This type of inverter utilizes an inductor-capacitor-inductor (LCL) filter as the interface in between inverter and the utility grid. The first set of inductor-capacitor (LC) can be used in the standalone mode, and the complete LCL can be used for the grid-tie mode. A new admittance compensation technique is proposed for the controller design to avoid low stability margin while maintaining sufficient gain at the fundamental frequency. The proposed current loop controller system and admittance compensation technique have been simulated and tested. Simulation results indicate that without the admittance path compensation, the current loop controller output duty cycle is largely offset by an undesired admittance path. At the initial simulation cycle, the power flow may be erratically fed back to the inverter causing catastrophic failure. With admittance path compensation, the output power shows a steady-state offset that matches the design value. Experimental results show that the inverter is capable of both a standalone and a grid-tie connection mode using the LCL filter configuration.

Equilibrium, metastability, and hysteresis in a model spin-crossover material with nearest-neighbor antiferromagnetic-like and long-range ferromagnetic-like interactions

DOE PAGES

Rikvold, Per Arne; Brown, Gregory; Miyashita, Seiji; ...

2016-02-16

Phase diagrams and hysteresis loops were obtained by Monte Carlo simulations and a mean- field method for a simplified model of a spin-crossovermaterialwith a two-step transition between the high-spin and low-spin states. This model is a mapping onto a square-lattice S = 1/2 Ising model with antiferromagnetic nearest-neighbor and ferromagnetic Husimi-Temperley ( equivalent-neighbor) long-range interactions. Phase diagrams obtained by the two methods for weak and strong long-range interactions are found to be similar. However, for intermediate-strength long-range interactions, the Monte Carlo simulations show that tricritical points decompose into pairs of critical end points and mean-field critical points surrounded by horn-shapedmore » regions of metastability. Hysteresis loops along paths traversing the horn regions are strongly reminiscent of thermal two-step transition loops with hysteresis, recently observed experimentally in several spin-crossover materials. As a result, we believe analogous phenomena should be observable in experiments and simulations for many systems that exhibit competition between local antiferromagnetic-like interactions and long-range ferromagnetic-like interactions caused by elastic distortions.« less

Comparison of closed loop model with flight test results

NASA Technical Reports Server (NTRS)

George, F. L.

1981-01-01

An analytic technique capable of predicting the landing characteristics of proposed aircraft configurations in the early stages of design was developed. In this analysis, a linear pilot-aircraft closed loop model was evaluated using experimental data generated with the NT-33 variable stability in-flight simulator. The pilot dynamics are modeled as inner and outer servo loop closures around aircraft pitch attitude, and altitude rate-of-change respectively. The landing flare maneuver is of particular interest as recent experience with military and other highly augmented vehicles shows this task to be relatively demanding, and potentially a critical design point. A unique feature of the pilot model is the incorporation of an internal model of the pilot's desired flight path for the flare maneuver.

Tunable optical filter based on Sagnac phase-shift using single optical ring resonator

NASA Astrophysics Data System (ADS)

Seraji, Faramarz E.; Asghari, Fatemeh

2010-02-01

In this paper, a single optical ring resonator connected to a Sagnac loop is used to demonstrate theoretically a novel narrow band optical filter response that is based on Sagnac phase-shift Δ φ. The given filter structure permits the Sagnac rotation to control the filter response. It is shown that by changing the Sagnac rotation rate, we can tune the filter response for desired bandwidths. To increase the wavelength selectivity of the filter, the Sagnac phase-shift should be as small as possible that is limited by the loop length. For Δ φ=0.1 rad, the obtained FWHM is 2.63 MHz for tuning loop length of 2 m. The simulation response agrees fairly with the recently reported experimental result.

Simulating closed- and open-loop voluntary movement: a nonlinear control-systems approach.

PubMed

Davidson, Paul R; Jones, Richard D; Andreae, John H; Sirisena, Harsha R

2002-11-01

In many recent human motor control models, including feedback-error learning and adaptive model theory (AMT), feedback control is used to correct errors while an inverse model is simultaneously tuned to provide accurate feedforward control. This popular and appealing hypothesis, based on a combination of psychophysical observations and engineering considerations, predicts that once the tuning of the inverse model is complete the role of feedback control is limited to the correction of disturbances. This hypothesis was tested by looking at the open-loop behavior of the human motor system during adaptation. An experiment was carried out involving 20 normal adult subjects who learned a novel visuomotor relationship on a pursuit tracking task with a steering wheel for input. During learning, the response cursor was periodically blanked, removing all feedback about the external system (i.e., about the relationship between hand motion and response cursor motion). Open-loop behavior was not consistent with a progressive transfer from closed- to open-loop control. Our recently developed computational model of the brain--a novel nonlinear implementation of AMT--was able to reproduce the observed closed- and open-loop results. In contrast, other control-systems models exhibited only minimal feedback control following adaptation, leading to incorrect open-loop behavior. This is because our model continues to use feedback to control slow movements after adaptation is complete. This behavior enhances the internal stability of the inverse model. In summary, our computational model is currently the only motor control model able to accurately simulate the closed- and open-loop characteristics of the experimental response trajectories.

Hardware Implementation of Maximum Power Point Tracking for Thermoelectric Generators

NASA Astrophysics Data System (ADS)

Maganga, Othman; Phillip, Navneesh; Burnham, Keith J.; Montecucco, Andrea; Siviter, Jonathan; Knox, Andrew; Simpson, Kevin

2014-06-01

This work describes the practical implementation of two maximum power point tracking (MPPT) algorithms, namely those of perturb and observe, and extremum seeking control. The proprietary dSPACE system is used to perform hardware in the loop (HIL) simulation whereby the two control algorithms are implemented using the MATLAB/Simulink (Mathworks, Natick, MA) software environment in order to control a synchronous buck-boost converter connected to two commercial thermoelectric modules. The process of performing HIL simulation using dSPACE is discussed, and a comparison between experimental and simulated results is highlighted. The experimental results demonstrate the validity of the two MPPT algorithms, and in conclusion the benefits and limitations of real-time implementation of MPPT controllers using dSPACE are discussed.

Dynameomics: data-driven methods and models for utilizing large-scale protein structure repositories for improving fragment-based loop prediction.

PubMed

Rysavy, Steven J; Beck, David A C; Daggett, Valerie

2014-11-01

Protein function is intimately linked to protein structure and dynamics yet experimentally determined structures frequently omit regions within a protein due to indeterminate data, which is often due protein dynamics. We propose that atomistic molecular dynamics simulations provide a diverse sampling of biologically relevant structures for these missing segments (and beyond) to improve structural modeling and structure prediction. Here we make use of the Dynameomics data warehouse, which contains simulations of representatives of essentially all known protein folds. We developed novel computational methods to efficiently identify, rank and retrieve small peptide structures, or fragments, from this database. We also created a novel data model to analyze and compare large repositories of structural data, such as contained within the Protein Data Bank and the Dynameomics data warehouse. Our evaluation compares these structural repositories for improving loop predictions and analyzes the utility of our methods and models. Using a standard set of loop structures, containing 510 loops, 30 for each loop length from 4 to 20 residues, we find that the inclusion of Dynameomics structures in fragment-based methods improves the quality of the loop predictions without being dependent on sequence homology. Depending on loop length, ∼ 25-75% of the best predictions came from the Dynameomics set, resulting in lower main chain root-mean-square deviations for all fragment lengths using the combined fragment library. We also provide specific cases where Dynameomics fragments provide better predictions for NMR loop structures than fragments from crystal structures. Online access to these fragment libraries is available at http://www.dynameomics.org/fragments. © 2014 The Protein Society.

Dynameomics: Data-driven methods and models for utilizing large-scale protein structure repositories for improving fragment-based loop prediction

PubMed Central

Rysavy, Steven J; Beck, David AC; Daggett, Valerie

2014-01-01

Protein function is intimately linked to protein structure and dynamics yet experimentally determined structures frequently omit regions within a protein due to indeterminate data, which is often due protein dynamics. We propose that atomistic molecular dynamics simulations provide a diverse sampling of biologically relevant structures for these missing segments (and beyond) to improve structural modeling and structure prediction. Here we make use of the Dynameomics data warehouse, which contains simulations of representatives of essentially all known protein folds. We developed novel computational methods to efficiently identify, rank and retrieve small peptide structures, or fragments, from this database. We also created a novel data model to analyze and compare large repositories of structural data, such as contained within the Protein Data Bank and the Dynameomics data warehouse. Our evaluation compares these structural repositories for improving loop predictions and analyzes the utility of our methods and models. Using a standard set of loop structures, containing 510 loops, 30 for each loop length from 4 to 20 residues, we find that the inclusion of Dynameomics structures in fragment-based methods improves the quality of the loop predictions without being dependent on sequence homology. Depending on loop length, ∼25–75% of the best predictions came from the Dynameomics set, resulting in lower main chain root-mean-square deviations for all fragment lengths using the combined fragment library. We also provide specific cases where Dynameomics fragments provide better predictions for NMR loop structures than fragments from crystal structures. Online access to these fragment libraries is available at http://www.dynameomics.org/fragments. PMID:25142412

A Closed-Loop Model of Operator Visual Attention, Situation Awareness, and Performance Across Automation Mode Transitions.

PubMed

Johnson, Aaron W; Duda, Kevin R; Sheridan, Thomas B; Oman, Charles M

2017-03-01

This article describes a closed-loop, integrated human-vehicle model designed to help understand the underlying cognitive processes that influenced changes in subject visual attention, mental workload, and situation awareness across control mode transitions in a simulated human-in-the-loop lunar landing experiment. Control mode transitions from autopilot to manual flight may cause total attentional demands to exceed operator capacity. Attentional resources must be reallocated and reprioritized, which can increase the average uncertainty in the operator's estimates of low-priority system states. We define this increase in uncertainty as a reduction in situation awareness. We present a model built upon the optimal control model for state estimation, the crossover model for manual control, and the SEEV (salience, effort, expectancy, value) model for visual attention. We modify the SEEV attention executive to direct visual attention based, in part, on the uncertainty in the operator's estimates of system states. The model was validated using the simulated lunar landing experimental data, demonstrating an average difference in the percentage of attention ≤3.6% for all simulator instruments. The model's predictions of mental workload and situation awareness, measured by task performance and system state uncertainty, also mimicked the experimental data. Our model supports the hypothesis that visual attention is influenced by the uncertainty in system state estimates. Conceptualizing situation awareness around the metric of system state uncertainty is a valuable way for system designers to understand and predict how reallocations in the operator's visual attention during control mode transitions can produce reallocations in situation awareness of certain states.

Multi-Evaporator Miniature Loop Heat Pipe for Small Spacecraft Thermal Control

NASA Technical Reports Server (NTRS)

Ku, Jentung; Ottenstein, Laura; Douglas, Donya

2008-01-01

This paper presents the development of the Thermal Loop experiment under NASA's New Millennium Program Space Technology 8 (ST8) Project. The Thermal Loop experiment was originally planned for validating in space an advanced heat transport system consisting of a miniature loop heat pipe (MLHP) with multiple evaporators and multiple condensers. Details of the thermal loop concept, technical advances and benefits, Level 1 requirements and the technology validation approach are described. An MLHP breadboard has been built and tested in the laboratory and thermal vacuum environments, and has demonstrated excellent performance that met or exceeded the design requirements. The MLHP retains all features of state-of-the-art loop heat pipes and offers additional advantages to enhance the functionality, performance, versatility, and reliability of the system. In addition, an analytical model has been developed to simulate the steady state and transient operation of the MHLP, and the model predictions agreed very well with experimental results. A protoflight MLHP has been built and is being tested in a thermal vacuum chamber to validate its performance and technical readiness for a flight experiment.

Paper simulation techniques in user requirements analysis for interactive computer systems

NASA Technical Reports Server (NTRS)

Ramsey, H. R.; Atwood, M. E.; Willoughby, J. K.

1979-01-01

This paper describes the use of a technique called 'paper simulation' in the analysis of user requirements for interactive computer systems. In a paper simulation, the user solves problems with the aid of a 'computer', as in normal man-in-the-loop simulation. In this procedure, though, the computer does not exist, but is simulated by the experimenters. This allows simulated problem solving early in the design effort, and allows the properties and degree of structure of the system and its dialogue to be varied. The technique, and a method of analyzing the results, are illustrated with examples from a recent paper simulation exercise involving a Space Shuttle flight design task

Ex vivo mouse brain microscopy at 15T with loop-gap RF coil.

PubMed

Cohen, Ouri; Ackerman, Jerome L

2018-04-18

The design of a loop-gap-resonator RF coil optimized for ex vivo mouse brain microscopy at ultra high fields is described and its properties characterized using simulations, phantoms and experimental scans of mouse brains fixed in 10% formalin containing 4 mM Magnevist™. The RF (B 1 ) and magnetic field (B 0 ) homogeneities are experimentally quantified and compared to electromagnetic simulations of the coil. The coil's performance is also compared to a similarly sized surface coil and found to yield double the sensitivity. A three-dimensional gradient-echo (GRE) sequence is used to acquire high resolution mouse brain scans at (47 μm) 3 resolution in 1.8 h and a 20 × 20 × 19 μm 3 resolution in 27 h. The high resolution obtained permitted clear visualization and identification of multiple structures in the ex vivo mouse brain and represents, to our knowledge, the highest resolution ever achieved for a whole mouse brain. Importantly, the coil design is simple and easy to construct. Copyright © 2018 Elsevier Inc. All rights reserved.

Tunable all-optical signal regenerator with a semiconductor optical amplifier and a Sagnac loop: principles of operation

NASA Astrophysics Data System (ADS)

Granot, Er'el; Zaibel, Reuven; Narkiss, Niv; Ben-Ezra, Shalva; Chayet, Haim; Shahar, Nir; Sternklar, Shmuel; Tsadka, Sagie; Prucnal, Paul R.

2005-12-01

In this paper we investigate the wavelength conversion and regeneration properties of a tunable all-optical signal regenerator (TASR). In the TASR, the wavelength conversion is done by a semiconductor optical amplifier, which is incorporated in an asymmetric Sagnac loop (ASL). We demonstrate both theoretically and experimentally that the ASL regenerates the incident signal's bit pattern, reduces its noise, increases the extinction ratio (which in many aspects is equivalent to noise reduction) and improves its bit-error rate. We also demonstrate the general behavior of the TASR with a numerical simulation.

TREAT Neutronics Analysis of Water-Loop Concept Accommodating LWR 9-rod Bundle

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

Hill, Connie M.; Woolstenhulme, Nicolas E.; Parry, James R.

Abstract. Simulation of a variety of transient conditions has been successfully achieved in the Transient Reactor Test (TREAT) facility during operation between 1959 and 1994 to support characterization and safety analysis of nuclear fuels and materials. A majority of previously conducted tests were focused on supporting sodium-cooled fast reactor (SFR) designs. Experiments evolved in complexity. Simulation of thermal-hydraulic conditions expected to be encountered by fuels and materials in a reactor environment was realized in the development of TREAT sodium loop experiment vehicles. These loops accommodated up to 7-pin fuel bundles and served to simulate more closely the reactor environment whilemore » safely delivering large quantities of energy into the test specimen. Some of the immediate TREAT restart operations will be focused on testing light water reactor (LWR) accident tolerant fuels (ATF). Similar to the sodium loop objectives, a water loop concept, developed and analyzed in the 1990’s, aimed at achieving thermal-hydraulic conditions encountered in commercial power reactors. The historic water loop concept has been analyzed in the context of a reactivity insertion accident (RIA) simulation for high burnup LWR 2-pin and 3-pin fuel bundles. Findings showed sufficient energy could be deposited into the specimens for evaluation. Similar results of experimental feasibility for the water loop concept (past and present) have recently been obtained using MCNP6.1 with ENDF/B-VII.1 nuclear data libraries. The old water loop concept required only two central TREAT core grid spaces. Preparation for future experiments has resulted in a modified water loop conceptual design designated the TREAT water environment recirculating loop (TWERL). The current TWERL design requires nine TREAT core grid spaces in order to place the water recirculating pump under the TREAT core. Due to the effectiveness of water moderation, neutronics analysis shows that removal of seven additional TREAT fuel elements to facilitate the experiment will not inhibit the ability to successfully simulate a RIA for the 2-pin or 3-pin bundle. This new water loop design leaves room for accommodating a larger fuel pin bundle than previously analyzed. The 7-pin fuel bundle in a hexagonal array with similar spacing of fuel pins in a SFR fuel assembly was considered the minimum needed for one central fuel pin to encounter the most correct thermal conditions. The 9-rod fuel bundle in a square array similar in spacing to pins in a LWR fuel assembly would be considered the LWR equivalent. MCNP analysis conducted on a preliminary LWR 9-rod bundle design shows that sufficient energy deposition into the central pin can be achieved well within range to investigate fuel and cladding performance in a simulated RIA. This is achieved by surrounding the flow channel with an additional annulus of water. Findings also show that a highly significant increase in TREAT to specimen power coupling factor (PCF) within the central pin can be achieved by surrounding the experiment with one to two rings of TREAT upgrade fuel assemblies. The experiment design holds promise for the performance evaluation of PWR fuel at extremely high burnup under similar reactor environment conditions.« less

Digital simulation of hybrid loop operation in RFI backgrounds.

NASA Technical Reports Server (NTRS)

Ziemer, R. E.; Nelson, D. R.

1972-01-01

A digital computer model for Monte-Carlo simulation of an imperfect second-order hybrid phase-locked loop (PLL) operating in radio-frequency interference (RFI) and Gaussian noise backgrounds has been developed. Characterization of hybrid loop performance in terms of cycle slipping statistics and phase error variance, through computer simulation, indicates that the hybrid loop has desirable performance characteristics in RFI backgrounds over the conventional PLL or the costas loop.

The Trade-Off Mechanism in Mammalian Circadian Clock Model with Two Time Delays

NASA Astrophysics Data System (ADS)

Yan, Jie; Kang, Xiaxia; Yang, Ling

Circadian clock is an autonomous oscillator which orchestrates the daily rhythms of physiology and behaviors. This study is devoted to explore how a positive feedback loop affects the dynamics of mammalian circadian clock. We simplify an experimentally validated mathematical model in our previous work, to a nonlinear differential equation with two time delays. This simplified mathematical model incorporates the pacemaker of mammalian circadian clock, a negative primary feedback loop, and a critical positive auxiliary feedback loop, Rev-erbα/Cry1 loop. We perform analytical studies of the system. Delay-dependent conditions for the asymptotic stability of the nontrivial positive steady state of the model are investigated. We also prove the existence of Hopf bifurcation, which leads to self-sustained oscillation of mammalian circadian clock. Our theoretical analyses show that the oscillatory regime is reduced upon the participation of the delayed positive auxiliary loop. However, further simulations reveal that the auxiliary loop can enable the circadian clock gain widely adjustable amplitudes and robust period. Thus, the positive auxiliary feedback loop may provide a trade-off mechanism, to use the small loss in the robustness of oscillation in exchange for adaptable flexibility in mammalian circadian clock. The results obtained from the model may gain new insights into the dynamics of biological oscillators with interlocked feedback loops.

Molecular dynamics simulations of electrostatics and hydration distributions around RNA and DNA motifs

NASA Astrophysics Data System (ADS)

Marlowe, Ashley E.; Singh, Abhishek; Semichaevsky, Andrey V.; Yingling, Yaroslava G.

2009-03-01

Nucleic acid nanoparticles can self-assembly through the formation of complementary loop-loop interactions or stem-stem interactions. Presence and concentration of ions can significantly affect the self-assembly process and the stability of the nanostructure. In this presentation we use explicit molecular dynamics simulations to examine the variations in cationic distributions and hydration environment around DNA and RNA helices and loop-loop interactions. Our simulations show that the potassium and sodium ionic distributions are different around RNA and DNA motifs which could be indicative of ion mediated relative stability of loop-loop complexes. Moreover in RNA loop-loop motifs ions are consistently present and exchanged through a distinct electronegative channel. We will also show how we used the specific RNA loop-loop motif to design a RNA hexagonal nanoparticle.

Experimental validation of the predicted binding site of Escherichia coli K1 outer membrane protein A to human brain microvascular endothelial cells: identification of critical mutations that prevent E. coli meningitis.

PubMed

Pascal, Tod A; Abrol, Ravinder; Mittal, Rahul; Wang, Ying; Prasadarao, Nemani V; Goddard, William A

2010-11-26

Escherichia coli K1, the most common cause of meningitis in neonates, has been shown to interact with GlcNAc1-4GlcNAc epitopes of Ecgp96 on human brain microvascular endothelial cells (HBMECs) via OmpA (outer membrane protein A). However, the precise domains of extracellular loops of OmpA interacting with the chitobiose epitopes have not been elucidated. We report the loop-barrel model of these OmpA interactions with the carbohydrate moieties of Ecgp96 predicted from molecular modeling. To test this model experimentally, we generated E. coli K1 strains expressing OmpA with mutations of residues predicted to be critical for interaction with the HBMEC and tested E. coli invasion efficiency. For these same mutations, we predicted the interaction free energies (including explicit calculation of the entropy) from molecular dynamics (MD), finding excellent correlation (R(2) = 90%) with experimental invasion efficiency. Particularly important is that mutating specific residues in loops 1, 2, and 4 to alanines resulted in significant inhibition of E. coli K1 invasion in HBMECs, which is consistent with the complete lack of binding found in the MD simulations for these two cases. These studies suggest that inhibition of the interactions of these residues of Loop 1, 2, and 4 with Ecgp96 could provide a therapeutic strategy to prevent neonatal meningitis due to E. coli K1.

Calibration of the island effect: Experimental validation of closed-loop focal plane wavefront control on Subaru/SCExAO

NASA Astrophysics Data System (ADS)

N'Diaye, M.; Martinache, F.; Jovanovic, N.; Lozi, J.; Guyon, O.; Norris, B.; Ceau, A.; Mary, D.

2018-02-01

Context. Island effect (IE) aberrations are induced by differential pistons, tips, and tilts between neighboring pupil segments on ground-based telescopes, which severely limit the observations of circumstellar environments on the recently deployed exoplanet imagers (e.g., VLT/SPHERE, Gemini/GPI, Subaru/SCExAO) during the best observing conditions. Caused by air temperature gradients at the level of the telescope spiders, these aberrations were recently diagnosed with success on VLT/SPHERE, but so far no complete calibration has been performed to overcome this issue. Aims: We propose closed-loop focal plane wavefront control based on the asymmetric Fourier pupil wavefront sensor (APF-WFS) to calibrate these aberrations and improve the image quality of exoplanet high-contrast instruments in the presence of the IE. Methods: Assuming the archetypal four-quadrant aperture geometry in 8 m class telescopes, we describe these aberrations as a sum of the independent modes of piston, tip, and tilt that are distributed in each quadrant of the telescope pupil. We calibrate these modes with the APF-WFS before introducing our wavefront control for closed-loop operation. We perform numerical simulations and then experimental tests on a real system using Subaru/SCExAO to validate our control loop in the laboratory and on-sky. Results: Closed-loop operation with the APF-WFS enables the compensation for the IE in simulations and in the laboratory for the small aberration regime. Based on a calibration in the near infrared, we observe an improvement of the image quality in the visible range on the SCExAO/VAMPIRES module with a relative increase in the image Strehl ratio of 37%. Conclusions: Our first IE calibration paves the way for maximizing the science operations of the current exoplanet imagers. Such an approach and its results prove also very promising in light of the Extremely Large Telescopes (ELTs) and the presence of similar artifacts with their complex aperture geometry.

Alterations in aerobic energy expenditure and neuromuscular function during a simulated cross-country skiathlon with the skating technique.

PubMed

Fabre, Nicolas; Mourot, Laurent; Zoppirolli, Chiara; Andersson, Erik; Willis, Sarah J; Holmberg, Hans-Christer

2015-04-01

Here, we tested the hypothesis that aerobic energy expenditure (AEE) is higher during a simulated 6-km (2 loops of 3-km each) "skiathlon" than during skating only on a treadmill and attempted to link any such increase to biomechanical and neuromuscular responses. Six elite male cross-country skiers performed two pre-testing time-trials (TT) to determine their best performances and to choose an appropriate submaximal speed for collection of physiological, biomechanical and neuromuscular data during two experimental sessions (exp). Each skier used, in randomized order, either the classical (CL) or skating technique (SK) for the first 3-km loop, followed by transition to the skating technique for the second 3-km loop. Respiratory parameters were recorded continuously. The EMG activity of the triceps brachii (TBr) and vastus lateralis (VLa) muscles during isometric contractions performed when the skiers were stationary (i.e., just before the first loop, during the transition, and after the second loop); their corresponding activity during dynamic contractions; and pole and plantar forces during the second loop were recorded. During the second 3-km of the TT, skating speed was significantly higher for the SK-SK than CL-SK. During this second loop, AEE was also higher (+1.5%) for CL-SKexp than SK-SKexp, in association with higher VLa EMG activity during both isometric and dynamic contractions, despite no differences in plantar or pole forces, poling times or cycle rates. Although the underlying mechanism remains unclear, during a skiathlon, the transition between the sections of classical skiing and skating alters skating performance (i.e., skiing speed), AEE and neuromuscular function. Copyright © 2015 Elsevier B.V. All rights reserved.

A Method for Combining Experimentation and Molecular Dynamics Simulation to Improve Cohesive Zone Models for Metallic Microstructures

NASA Technical Reports Server (NTRS)

Hochhalter, J. D.; Glaessgen, E. H.; Ingraffea, A. R.; Aquino, W. A.

2009-01-01

Fracture processes within a material begin at the nanometer length scale at which the formation, propagation, and interaction of fundamental damage mechanisms occur. Physics-based modeling of these atomic processes quickly becomes computationally intractable as the system size increases. Thus, a multiscale modeling method, based on the aggregation of fundamental damage processes occurring at the nanoscale within a cohesive zone model, is under development and will enable computationally feasible and physically meaningful microscale fracture simulation in polycrystalline metals. This method employs atomistic simulation to provide an optimization loop with an initial prediction of a cohesive zone model (CZM). This initial CZM is then applied at the crack front region within a finite element model. The optimization procedure iterates upon the CZM until the finite element model acceptably reproduces the near-crack-front displacement fields obtained from experimental observation. With this approach, a comparison can be made between the original CZM predicted by atomistic simulation and the converged CZM that is based on experimental observation. Comparison of the two CZMs gives insight into how atomistic simulation scales.

Folding molecular dynamics simulations accurately predict the effect of mutations on the stability and structure of a vammin-derived peptide.

PubMed

Koukos, Panagiotis I; Glykos, Nicholas M

2014-08-28

Folding molecular dynamics simulations amounting to a grand total of 4 μs of simulation time were performed on two peptides (with native and mutated sequences) derived from loop 3 of the vammin protein and the results compared with the experimentally known peptide stabilities and structures. The simulations faithfully and accurately reproduce the major experimental findings and show that (a) the native peptide is mostly disordered in solution, (b) the mutant peptide has a well-defined and stable structure, and (c) the structure of the mutant is an irregular β-hairpin with a non-glycine β-bulge, in excellent agreement with the peptide's known NMR structure. Additionally, the simulations also predict the presence of a very small β-hairpin-like population for the native peptide but surprisingly indicate that this population is structurally more similar to the structure of the native peptide as observed in the vammin protein than to the NMR structure of the isolated mutant peptide. We conclude that, at least for the given system, force field, and simulation protocol, folding molecular dynamics simulations appear to be successful in reproducing the experimentally accessible physical reality to a satisfactory level of detail and accuracy.

Microsecond-Scale MD Simulations of HIV-1 DIS Kissing-Loop Complexes Predict Bulged-In Conformation of the Bulged Bases and Reveal Interesting Differences between Available Variants of the AMBER RNA Force Fields.

PubMed

Havrila, Marek; Zgarbová, Marie; Jurečka, Petr; Banáš, Pavel; Krepl, Miroslav; Otyepka, Michal; Šponer, Jiří

2015-12-10

We report an extensive set of explicit solvent molecular dynamics (MD) simulations (∼25 μs of accumulated simulation time) of the RNA kissing-loop complex of the HIV-1 virus initiation dimerization site. Despite many structural investigations by X-ray, NMR, and MD techniques, the position of the bulged purines of the kissing complex has not been unambiguously resolved. The X-ray structures consistently show bulged-out positions of the unpaired bases, while several NMR studies show bulged-in conformations. The NMR studies are, however, mutually inconsistent regarding the exact orientations of the bases. The earlier simulation studies predicted the bulged-out conformation; however, this finding could have been biased by the short simulation time scales. Our microsecond-long simulations reveal that all unpaired bases of the kissing-loop complex stay preferably in the interior of the kissing-loop complex. The MD results are discussed in the context of the available experimental data and we suggest that both conformations are biochemically relevant. We also show that MD provides a quite satisfactory description of this RNA system, contrasting recent reports of unsatisfactory performance of the RNA force fields for smaller systems such as tetranucleotides and tetraloops. We explain this by the fact that the kissing complex is primarily stabilized by an extensive network of Watson-Crick interactions which are rather well described by the force fields. We tested several different sets of water/ion parameters but they all lead to consistent results. However, we demonstrate that a recently suggested modification of van der Waals interactions of the Cornell et al. force field deteriorates the description of the kissing complex by the loss of key stacking interactions stabilizing the interhelical junction and excessive hydrogen-bonding interactions.

Indoor Autonomous Control of a Two-Wheeled Inverted Pendulum Vehicle Using Ultra Wide Band Technology.

PubMed

Xia, Dunzhu; Yao, Yanhong; Cheng, Limei

2017-06-15

In this paper, we aimed to achieve the indoor tracking control of a two-wheeled inverted pendulum (TWIP) vehicle. The attitude data are acquired from a low cost micro inertial measurement unit (IMU), and the ultra-wideband (UWB) technology is utilized to obtain an accurate estimation of the TWIP's position. We propose a dual-loop control method to realize the simultaneous balance and trajectory tracking control for the TWIP vehicle. A robust adaptive second-order sliding mode control (2-RASMC) method based on an improved super-twisting (STW) algorithm is investigated to obtain the control laws, followed by several simulations to verify its robustness. The outer loop controller is designed using the idea of backstepping. Moreover, three typical trajectories, including a circle, a trifolium and a hexagon, have been designed to prove the adaptability of the control combinations. Six different combinations of inner and outer loop control algorithms have been compared, and the characteristics of inner and outer loop algorithm combinations have been analyzed. Simulation results demonstrate its tracking performance and thus verify the validity of the proposed control methods. Trajectory tracking experiments in a real indoor environment have been performed using our experimental vehicle to further validate the feasibility of the proposed algorithm in practice.

Using in-cell SHAPE-Seq and simulations to probe structure–function design principles of RNA transcriptional regulators

PubMed Central

Takahashi, Melissa K.; Watters, Kyle E.; Gasper, Paul M.; Abbott, Timothy R.; Carlson, Paul D.; Chen, Alan A.

2016-01-01

Antisense RNA-mediated transcriptional regulators are powerful tools for controlling gene expression and creating synthetic gene networks. RNA transcriptional repressors derived from natural mechanisms called attenuators are particularly versatile, though their mechanistic complexity has made them difficult to engineer. Here we identify a new structure–function design principle for attenuators that enables the forward engineering of new RNA transcriptional repressors. Using in-cell SHAPE-Seq to characterize the structures of attenuator variants within Escherichia coli, we show that attenuator hairpins that facilitate interaction with antisense RNAs require interior loops for proper function. Molecular dynamics simulations of these attenuator variants suggest these interior loops impart structural flexibility. We further observe hairpin flexibility in the cellular structures of natural RNA mechanisms that use antisense RNA interactions to repress translation, confirming earlier results from in vitro studies. Finally, we design new transcriptional attenuators in silico using an interior loop as a structural requirement and show that they function as desired in vivo. This work establishes interior loops as an important structural element for designing synthetic RNA gene regulators. We anticipate that the coupling of experimental measurement of cellular RNA structure and function with computational modeling will enable rapid discovery of structure–function design principles for a diverse array of natural and synthetic RNA regulators. PMID:27103533

Indoor Autonomous Control of a Two-Wheeled Inverted Pendulum Vehicle Using Ultra Wide Band Technology

PubMed Central

Xia, Dunzhu; Yao, Yanhong; Cheng, Limei

2017-01-01

In this paper, we aimed to achieve the indoor tracking control of a two-wheeled inverted pendulum (TWIP) vehicle. The attitude data are acquired from a low cost micro inertial measurement unit (IMU), and the ultra-wideband (UWB) technology is utilized to obtain an accurate estimation of the TWIP’s position. We propose a dual-loop control method to realize the simultaneous balance and trajectory tracking control for the TWIP vehicle. A robust adaptive second-order sliding mode control (2-RASMC) method based on an improved super-twisting (STW) algorithm is investigated to obtain the control laws, followed by several simulations to verify its robustness. The outer loop controller is designed using the idea of backstepping. Moreover, three typical trajectories, including a circle, a trifolium and a hexagon, have been designed to prove the adaptability of the control combinations. Six different combinations of inner and outer loop control algorithms have been compared, and the characteristics of inner and outer loop algorithm combinations have been analyzed. Simulation results demonstrate its tracking performance and thus verify the validity of the proposed control methods. Trajectory tracking experiments in a real indoor environment have been performed using our experimental vehicle to further validate the feasibility of the proposed algorithm in practice. PMID:28617338

Bayesian Action–Perception Computational Model: Interaction of Production and Recognition of Cursive Letters

PubMed Central

Gilet, Estelle; Diard, Julien; Bessière, Pierre

2011-01-01

In this paper, we study the collaboration of perception and action representations involved in cursive letter recognition and production. We propose a mathematical formulation for the whole perception–action loop, based on probabilistic modeling and Bayesian inference, which we call the Bayesian Action–Perception (BAP) model. Being a model of both perception and action processes, the purpose of this model is to study the interaction of these processes. More precisely, the model includes a feedback loop from motor production, which implements an internal simulation of movement. Motor knowledge can therefore be involved during perception tasks. In this paper, we formally define the BAP model and show how it solves the following six varied cognitive tasks using Bayesian inference: i) letter recognition (purely sensory), ii) writer recognition, iii) letter production (with different effectors), iv) copying of trajectories, v) copying of letters, and vi) letter recognition (with internal simulation of movements). We present computer simulations of each of these cognitive tasks, and discuss experimental predictions and theoretical developments. PMID:21674043

Hardware in the Loop at Megawatt-Scale Power | Energy Systems Integration

Science.gov Websites

Facility | NREL Hardware in the Loop at Megawatt-Scale Power Hardware in the Loop at Megawatt -Scale Power Hardware-in-the-loop simulation is not new, but the Energy System Integration Facility's -in-the-loop co-simulation. For more information, read the power hardware-in-the-loop factsheet. Text

Unbiased, scalable sampling of protein loop conformations from probabilistic priors.

PubMed

Zhang, Yajia; Hauser, Kris

2013-01-01

Protein loops are flexible structures that are intimately tied to function, but understanding loop motion and generating loop conformation ensembles remain significant computational challenges. Discrete search techniques scale poorly to large loops, optimization and molecular dynamics techniques are prone to local minima, and inverse kinematics techniques can only incorporate structural preferences in adhoc fashion. This paper presents Sub-Loop Inverse Kinematics Monte Carlo (SLIKMC), a new Markov chain Monte Carlo algorithm for generating conformations of closed loops according to experimentally available, heterogeneous structural preferences. Our simulation experiments demonstrate that the method computes high-scoring conformations of large loops (>10 residues) orders of magnitude faster than standard Monte Carlo and discrete search techniques. Two new developments contribute to the scalability of the new method. First, structural preferences are specified via a probabilistic graphical model (PGM) that links conformation variables, spatial variables (e.g., atom positions), constraints and prior information in a unified framework. The method uses a sparse PGM that exploits locality of interactions between atoms and residues. Second, a novel method for sampling sub-loops is developed to generate statistically unbiased samples of probability densities restricted by loop-closure constraints. Numerical experiments confirm that SLIKMC generates conformation ensembles that are statistically consistent with specified structural preferences. Protein conformations with 100+ residues are sampled on standard PC hardware in seconds. Application to proteins involved in ion-binding demonstrate its potential as a tool for loop ensemble generation and missing structure completion.

Unbiased, scalable sampling of protein loop conformations from probabilistic priors

PubMed Central

2013-01-01

Background Protein loops are flexible structures that are intimately tied to function, but understanding loop motion and generating loop conformation ensembles remain significant computational challenges. Discrete search techniques scale poorly to large loops, optimization and molecular dynamics techniques are prone to local minima, and inverse kinematics techniques can only incorporate structural preferences in adhoc fashion. This paper presents Sub-Loop Inverse Kinematics Monte Carlo (SLIKMC), a new Markov chain Monte Carlo algorithm for generating conformations of closed loops according to experimentally available, heterogeneous structural preferences. Results Our simulation experiments demonstrate that the method computes high-scoring conformations of large loops (>10 residues) orders of magnitude faster than standard Monte Carlo and discrete search techniques. Two new developments contribute to the scalability of the new method. First, structural preferences are specified via a probabilistic graphical model (PGM) that links conformation variables, spatial variables (e.g., atom positions), constraints and prior information in a unified framework. The method uses a sparse PGM that exploits locality of interactions between atoms and residues. Second, a novel method for sampling sub-loops is developed to generate statistically unbiased samples of probability densities restricted by loop-closure constraints. Conclusion Numerical experiments confirm that SLIKMC generates conformation ensembles that are statistically consistent with specified structural preferences. Protein conformations with 100+ residues are sampled on standard PC hardware in seconds. Application to proteins involved in ion-binding demonstrate its potential as a tool for loop ensemble generation and missing structure completion. PMID:24565175

Microstructural evolution of type 304 and 316 stainless steels under neutron irradiation at LWR relevant conditions

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

Tan, Lizhen; Stoller, Roger E.; Field, Kevin G.

Extension of light water reactors' useful life will expose austenitic internal core components to irradiation damage levels beyond 100 displacements per atom (dpa), which will lead to profound microstructural evolution and consequent degradation of macroscopic properties. Microstructural evolution, including Frank loops, cavities, precipitates, and segregation at boundaries and the resultant radiation hardening in type 304 and 316 stainless steel (SS) variants, were studied in this work via experimental characterization and multiple simulation methods. Experimental data for up to 40 heats of type 304SS and 316SS variants irradiated in different reactors to 0.6–120 dpa at 275–375°C were either generated from thismore » work or collected from literature reports. These experimental data were then combined with models of Frank loop and cavity evolution, computational thermodynamics and precipitation, and ab initio and rate theory integrated radiation-induced segregation models to provide insights into microstructural evolution and degradation at higher radiation doses.« less

Microstructural evolution of type 304 and 316 stainless steels under neutron irradiation at LWR relevant conditions

DOE PAGES

Tan, Lizhen; Stoller, Roger E.; Field, Kevin G.; ...

2015-12-11

Extension of light water reactors' useful life will expose austenitic internal core components to irradiation damage levels beyond 100 displacements per atom (dpa), which will lead to profound microstructural evolution and consequent degradation of macroscopic properties. Microstructural evolution, including Frank loops, cavities, precipitates, and segregation at boundaries and the resultant radiation hardening in type 304 and 316 stainless steel (SS) variants, were studied in this work via experimental characterization and multiple simulation methods. Experimental data for up to 40 heats of type 304SS and 316SS variants irradiated in different reactors to 0.6–120 dpa at 275–375°C were either generated from thismore » work or collected from literature reports. These experimental data were then combined with models of Frank loop and cavity evolution, computational thermodynamics and precipitation, and ab initio and rate theory integrated radiation-induced segregation models to provide insights into microstructural evolution and degradation at higher radiation doses.« less

Force Protection via UGV-UAV Collaboration: Development of Control Law for Vision Based Target Tracking on SUAV

DTIC Science & Technology

2007-12-01

Hardware - In - Loop , Piccolo, UAV, Unmanned Aerial Vehicle 16. PRICE CODE 17. SECURITY CLASSIFICATION OF REPORT...Maneuvering Target.......................... 35 C. HARDWARE - IN - LOOP SIMULATION............................................... 37 1. Hardware - In - Loop Setup...law as proposed in equation (23) is capable of tracking a maneuvering target. C. HARDWARE - IN - LOOP SIMULATION The intention of HIL simulation

Natural circulation in a liquid metal one-dimensional loop

NASA Astrophysics Data System (ADS)

Tarantino, M.; De Grandis, S.; Benamati, G.; Oriolo, F.

2008-06-01

A wide use of pure lead, as well as its alloys (such as lead-bismuth, lead-lithium), is foreseen in several nuclear-related fields: it is studied as coolant in critical and sub-critical nuclear reactors, as spallation target for neutron generation in several applications and for tritium generation in fusion systems. In this framework, a new facility named NAtural CIrculation Experiment (NACIE), has been designed at ENEA-Brasimone Research Centre. NACIE is a rectangular loop, made by stainless steel pipes. It consists mainly of a cold and hot leg and an expansion tank installed on the top of the loop. A fuel bundle simulator, made by three electrical heaters placed in a triangular lattice, is located in the lower part of the cold leg, while a tube in tube heat exchanger is installed in the upper part of the hot leg. The adopted secondary fluid is THT oil, while the foreseen primary fluid for the tests is lead-bismuth in eutectic composition (LBE). The aim of the facility is to carry out experimental tests of natural circulation and collect data on the heat transfer coefficient (HTC) for heavy liquid metal flowing through rod bundles. The paper is focused on the preliminary estimation of the LBE flow rate along the loop. An analytical methodology has been applied, solving the continuity, momentum and energy transport equations under appropriate hypothesis. Moreover numerical simulations have been performed. The FLUENT 6.2 CFD code has been utilized for the numerical simulations. The main results carried out from the pre-tests simulations are illustrated in the paper, and a comparison with the theoretical estimations is done.

A new TRNSYS component for parabolic trough collector simulation

NASA Astrophysics Data System (ADS)

Drosou, Vassiliki; Valenzuela, Loreto; Dimoudi, Argiro

2018-03-01

This study describes and evaluates a new simulation component for parabolic trough collectors (PTCs). The new simulation component is implemented in the TRNSYS software environment by means of new Type that is suitable for integration into the calculation of a whole concentrating solar thermal plant, in order to evaluate the energy production of a PTC. The main advantage of the new Type is that is derived from experimental data available on efficiency Test Reports, according to the current European and International standards, rather than the theoretical approach considered in the existing parabolic trough component of TRNSYS library. The performance of the new Type has been validated with real experimental data obtained from the DISS solar test loop in Plataforma Solar de Almería, Spain. The paper describes the modelling approach, presents the comparison of simulation results with measurements taken at the DISS facility and evaluates the results.

All-atomic Molecular Dynamic Studies of Human CDK8: Insight into the A-loop, Point Mutations and Binding with Its Partner CycC

PubMed Central

Xu, Wu; Amire-Brahimi, Benjamin; Xie, Xiao-Jun; Huang, Liying; Ji, Jun-Yuan

2014-01-01

The Mediator, a conserved multisubunit protein complex in eukaryotic organisms, regulates gene expression by bridging sequence-specific DNA-binding transcription factors to the general RNA polymerase II machinery. In yeast, Mediator complex is organized in three core modules (head, middle and tail) and a separable ‘CDK8 submodule’ consisting of four subunits including Cyclin-dependent kinase CDK8 (CDK8), Cyclin C (CycC), MED12, and MED13. The 3-D structure of human CDK8-CycC complex has been recently experimentally determined. To take advantage of this structure and the improved theoretical calculation methods, we have performed molecular dynamic simulations to study dynamics of CDK8 and two CDK8 point mutations (D173A and D189N), which have been identified in human cancers, with and without full length of the A-loop as well as the binding between CDK8 and CycC. We found that CDK8 structure gradually loses two helical structures during the 50-ns molecular dynamic simulation, likely due to the presence of the full-length A-loop. In addition, our studies showed the hydrogen bond occupation of the CDK8 A-loop increases during the first 20-ns MD simulation and stays stable during the later 30-ns MD simulation. Four residues in the A-loop of CDK8 have high hydrogen bond occupation, while the rest residues have low or no hydrogen bond occupation. The hydrogen bond dynamic study of the A-loop residues exhibits three types of changes: increasing, decreasing, and stable. Furthermore, the 3-D structures of CDK8 point mutations D173A, D189N, T196A and T196D have been built by molecular modeling and further investigated by 50-ns molecular dynamic simulations. D173A has the highest average potential energy, while T196D has the lowest average potential energy, indicating that T196D is the most stable structure. Finally, we calculated theoretical binding energy of CDK8 and CycC by MM/PBSA and MM/GBSA methods, and the negative values obtained from both methods demonstrate stability of CDK8-CycC complex. Taken together, these analyses will improve our understanding of the exact functions of CDK8 and the interaction with its partner CycC. PMID:24754906

An experimental adaptive array to suppress weak interfering signals

NASA Technical Reports Server (NTRS)

Walton, Eric K.; Gupta, Inder J.; Ksienski, Aharon A.; Ward, James

1988-01-01

An experimental adaptive antenna system to suppress weak interfering signals is described. It is a sidelobe canceller with two auxiliary elements. Modified feedback loops are used to control the array weights. The received signals are simulated in hardware for parameter control. Digital processing is used for algorithm implementation and performance evaluation. The experimental results are presented. They show that interfering signals as much as 10 dB below the thermal noise level in the main channel are suppressed by 20-30 dB. Such a system has potential application in suppressing the interference encountered in direct broadcast satellite communication systems.

Origin of steps in magnetization loops of martensitic Ni-Mn-Ga films on MgO(001)

NASA Astrophysics Data System (ADS)

Laptev, Aleksej; Lebecki, Kristof; Welker, Gesa; Luo, Yuansu; Samwer, Konrad; Fonin, Mikhail

2016-09-01

We study the temperature dependent magnetization properties of (010)-oriented Ni-Mn-Ga epitaxial films on MgO(001) substrates. In the martensitic phase, we observe pronounced abrupt slope changes in the magnetization loops for all studied samples. Our experimental findings are discussed in conjunction with the micromagnetic simulations, revealing that the characteristic magnetization behavior is governed solely by the magnetization switching within the specific martensitic variant pattern, and no reorientation of twin variants is involved in the process. Our study emphasizes the important role of the magnetostatic interactions in the magnetization behavior of magnetic shape memory alloy thin films.

Power in the loop real time simulation platform for renewable energy generation

NASA Astrophysics Data System (ADS)

Li, Yang; Shi, Wenhui; Zhang, Xing; He, Guoqing

2018-02-01

Nowadays, a large scale of renewable energy sources has been connecting to power system and the real time simulation platform is widely used to carry out research on integration control algorithm, power system stability etc. Compared to traditional pure digital simulation and hardware in the loop simulation, power in the loop simulation has higher accuracy and degree of reliability. In this paper, a power in the loop analog digital hybrid simulation platform has been built and it can be used not only for the single generation unit connecting to grid, but also for multiple new energy generation units connecting to grid. A wind generator inertia control experiment was carried out on the platform. The structure of the inertia control platform was researched and the results verify that the platform is up to need for renewable power in the loop real time simulation.

Dynamic simulation of perturbation responses in a closed-loop virtual arm model.

PubMed

Du, Yu-Fan; He, Xin; Lan, Ning

2010-01-01

A closed-loop virtual arm (VA) model has been developed in SIMULINK environment by adding spinal reflex circuits and propriospinal neural networks to the open-loop VA model developed in early study [1]. An improved virtual muscle model (VM4.0) is used to speed up simulation and to generate more precise recruitment of muscle force at low levels of muscle activation. Time delays in the reflex loops are determined by their synaptic connections and afferent transmission back to the spinal cord. Reflex gains are properly selected so that closed-loop responses are stable. With the closed-loop VA model, we are developing an approach to evaluate system behaviors by dynamic simulation of perturbation responses. Joint stiffness is calculated based on simulated perturbation responses by a least-squares algorithm in MATLAB. This method of dynamic simulation will be essential for further evaluation of feedforward and reflex control of arm movement and position.

Shortening a loop can increase protein native state entropy.

PubMed

Gavrilov, Yulian; Dagan, Shlomi; Levy, Yaakov

2015-12-01

Protein loops are essential structural elements that influence not only function but also protein stability and folding rates. It was recently reported that shortening a loop in the AcP protein may increase its native state conformational entropy. This effect on the entropy of the folded state can be much larger than the lower entropic penalty of ordering a shorter loop upon folding, and can therefore result in a more pronounced stabilization than predicted by polymer model for loop closure entropy. In this study, which aims at generalizing the effect of loop length shortening on native state dynamics, we use all-atom molecular dynamics simulations to study how gradual shortening a very long or solvent-exposed loop region in four different proteins can affect their stability. For two proteins, AcP and Ubc7, we show an increase in native state entropy in addition to the known effect of the loop length on the unfolded state entropy. However, for two permutants of SH3 domain, shortening a loop results only with the expected change in the entropy of the unfolded state, which nicely reproduces the observed experimental stabilization. Here, we show that an increase in the native state entropy following loop shortening is not unique to the AcP protein, yet nor is it a general rule that applies to all proteins following the truncation of any loop. This modification of the loop length on the folded state and on the unfolded state may result with a greater effect on protein stability. © 2015 Wiley Periodicals, Inc.

HRD Motif as the Central Hub of the Signaling Network for Activation Loop Autophosphorylation in Abl Kinase.

PubMed

La Sala, Giuseppina; Riccardi, Laura; Gaspari, Roberto; Cavalli, Andrea; Hantschel, Oliver; De Vivo, Marco

2016-11-08

A number of structural factors modulate the activity of Abelson (Abl) tyrosine kinase, whose deregulation is often related to oncogenic processes. First, only the open conformation of the Abl kinase domain's activation loop (A-loop) favors ATP binding to the catalytic cleft. In this regard, the trans-autophosphorylation of the Y412 residue, which is located along the A-loop, favors the stability of the open conformation, in turn enhancing Abl activity. Another key factor for full Abl activity is the formation of active conformations of the catalytic DFG motif in the Abl kinase domain. Furthermore, binding of the SH2 domain to the N-lobe of the Abl kinase was recently demonstrated to have a long-range allosteric effect on the stabilization of the A-loop open state. Intriguingly, these distinct structural factors imply a complex signal transmission network for controlling the A-loop's flexibility and conformational preference for optimal Abl function. However, the exact dynamical features of this signal transmission network structure remain unclear. Here, we report on microsecond-long molecular dynamics coupled with enhanced sampling simulations of multiple Abl model systems, in the presence or absence of the SH2 domain and with the DFG motif flipped in two ways (in or out conformation). Through comparative analysis, our simulations augment the interpretation of the existing Abl experimental data, revealing a dynamical network of interactions that interconnect SH2 domain binding with A-loop plasticity and Y412 autophosphorylation in Abl. This signaling network engages the DFG motif and, importantly, other conserved structural elements of the kinase domain, namely, the EPK-ELK H-bond network and the HRD motif. Our results show that the signal propagation for modulating the A-loop spatial localization is highly dependent on the HRD motif conformation, which thus acts as the central hub of this (allosteric) signaling network controlling Abl activation and function.

A combined-slip predictive control of vehicle stability with experimental verification

NASA Astrophysics Data System (ADS)

Jalali, Milad; Hashemi, Ehsan; Khajepour, Amir; Chen, Shih-ken; Litkouhi, Bakhtiar

2018-02-01

In this paper, a model predictive vehicle stability controller is designed based on a combined-slip LuGre tyre model. Variations in the lateral tyre forces due to changes in tyre slip ratios are considered in the prediction model of the controller. It is observed that the proposed combined-slip controller takes advantage of the more accurate tyre model and can adjust tyre slip ratios based on lateral forces of the front axle. This results in an interesting closed-loop response that challenges the notion of braking only the wheels on one side of the vehicle in differential braking. The performance of the proposed controller is evaluated in software simulations and is compared to a similar pure-slip controller. Furthermore, experimental tests are conducted on a rear-wheel drive electric Chevrolet Equinox equipped with differential brakes to evaluate the closed-loop response of the model predictive control controller.

Free-space laser communication technologies IV; Proceedings of the 4th Conference, Los Angeles, CA, Jan. 23, 24, 1992

NASA Technical Reports Server (NTRS)

Begley, David L. (Editor); Seery, Bernard D. (Editor)

1992-01-01

Papers included in this volume are grouped under topics of receivers; laser transmitters; components; system analysis, performance, and applications; and beam control (pointing, acquisition, and tracking). Papers are presented on an experimental determination of power penalty contributions in an optical Costas-type phase-locked loop receiver, a resonant laser receiver for free-space laser communications, a simple low-loss technique for frequency-locking lasers, direct phase modulation of laser diodes, and a silex beacon. Particular attention is given to experimental results on an optical array antenna for nonmechanical beam steering, a potassium Faraday anomalous dispersion optical filter, a 100-Mbps resonant cavity phase modulator for coherent optical communications, a numerical simulation of a 325-Mbit/s QPPM optical communication system, design options for an optical multiple-access data relay terminal, CCD-based optical tracking loop design trades, and an analysis of a spatial-tracking subsystem for optical communications.

Computational modeling of cardiovascular response to orthostatic stress

NASA Technical Reports Server (NTRS)

Heldt, Thomas; Shim, Eun B.; Kamm, Roger D.; Mark, Roger G.

2002-01-01

The objective of this study is to develop a model of the cardiovascular system capable of simulating the short-term (< or = 5 min) transient and steady-state hemodynamic responses to head-up tilt and lower body negative pressure. The model consists of a closed-loop lumped-parameter representation of the circulation connected to set-point models of the arterial and cardiopulmonary baroreflexes. Model parameters are largely based on literature values. Model verification was performed by comparing the simulation output under baseline conditions and at different levels of orthostatic stress to sets of population-averaged hemodynamic data reported in the literature. On the basis of experimental evidence, we adjusted some model parameters to simulate experimental data. Orthostatic stress simulations are not statistically different from experimental data (two-sided test of significance with Bonferroni adjustment for multiple comparisons). Transient response characteristics of heart rate to tilt also compare well with reported data. A case study is presented on how the model is intended to be used in the future to investigate the effects of post-spaceflight orthostatic intolerance.

Atomistic Simulations of the pH Induced Functional Rearrangement of Influenza Hemagglutinin

NASA Astrophysics Data System (ADS)

Lin, Xingcheng; Noel, Jeffrey; Wang, Qinghua; Ma, Jianpeng; Onuchic, Jose

Influenza hemagglutinin (HA), a surface glycoprotein responsible for the entry and replication of flu viruses in their host cells, functions by starting a dramatic conformational rearrangement, which leads to a fusion of the viral and endosomal membranes. It has been claimed that a loop-to-coiled-coil transition of the B-loop domain of HA drives the HA-induced membrane fusion. On the lack of dynamical details, however, the microscopic picture for this proposed ``spring-loaded'' movement is missing. To elaborate on the transition of the B-loop, we performed a set of unbiased all-atom molecular dynamics simulations of the full B-loop structure with the CHARMM36 force field. The complete free-energy profile constructed from our simulations reveals a slow transition rate for the B-loop that is incompatible with a downhill process. Additionally, our simulations indicate two potential sources of kinetic traps in the structural switch of the B-loop: Desolvation barriers and non-native secondary structure formation. The slow timescale of the B-loop transition also confirms our previous discovery from simulations using a coarse-grained structure-based model, which identified two competitive pathways both with a slow B-loop transition for HA to guide the membrane fusion.

An open-loop controlled active lung simulator for preterm infants.

PubMed

Cecchini, Stefano; Schena, Emiliano; Silvestri, Sergio

2011-01-01

We describe the underlying theory, design and experimental evaluation of an electromechanical analogue infant lung to simulate spontaneous breathing patterns of preterm infants. The aim of this work is to test the possibility to obtain breathing patterns of preterm infants by taking into consideration the air compressibility. Respiratory volume function represents the actuation pattern, and pulmonary pressure and flow-rate waveforms are mathematically obtained through the application of the perfect gas and adiabatic laws. The mathematical model reduces the simulation interval into a step shorter than 1 ms, allowing to consider an entire respiratory act as composed of a large number of almost instantaneous adiabatic transformations. The device consists of a spherical chamber where the air is compressed by four cylinder-pistons, moved by stepper motors, and flows through a fluid-dynamic resistance, which also works as flow-rate sensor. Specifically designed software generates the actuators motion, based on the desired ventilation parameters, without controlling the gas pneumatic parameters with a closed-loop. The system is able to simulate tidal volumes from 3 to 8 ml, breathing frequencies from 60 to 120 bpm and functional residual capacities from 25 to 80 ml. The simulated waveforms appear very close to the measured ones. Percentage differences on the tidal volume waveform vary from 7% for the tidal volume of 3 ml, down to 2.2-3.5% for tidal volumes in the range of 4-7 ml, and 1.3% for the tidal volume equal to 8 ml in the whole breathing frequency and functional residual capacity ranges. The open-loop electromechanical simulator shows that gas compressibility can be theoretically assessed in the typical pneumatic variable range of preterm infant respiratory mechanics. Copyright © 2010 IPEM. Published by Elsevier Ltd. All rights reserved.

Using in-cell SHAPE-Seq and simulations to probe structure-function design principles of RNA transcriptional regulators.

PubMed

Takahashi, Melissa K; Watters, Kyle E; Gasper, Paul M; Abbott, Timothy R; Carlson, Paul D; Chen, Alan A; Lucks, Julius B

2016-06-01

Antisense RNA-mediated transcriptional regulators are powerful tools for controlling gene expression and creating synthetic gene networks. RNA transcriptional repressors derived from natural mechanisms called attenuators are particularly versatile, though their mechanistic complexity has made them difficult to engineer. Here we identify a new structure-function design principle for attenuators that enables the forward engineering of new RNA transcriptional repressors. Using in-cell SHAPE-Seq to characterize the structures of attenuator variants within Escherichia coli, we show that attenuator hairpins that facilitate interaction with antisense RNAs require interior loops for proper function. Molecular dynamics simulations of these attenuator variants suggest these interior loops impart structural flexibility. We further observe hairpin flexibility in the cellular structures of natural RNA mechanisms that use antisense RNA interactions to repress translation, confirming earlier results from in vitro studies. Finally, we design new transcriptional attenuators in silico using an interior loop as a structural requirement and show that they function as desired in vivo. This work establishes interior loops as an important structural element for designing synthetic RNA gene regulators. We anticipate that the coupling of experimental measurement of cellular RNA structure and function with computational modeling will enable rapid discovery of structure-function design principles for a diverse array of natural and synthetic RNA regulators. © 2016 Takahashi et al.; Published by Cold Spring Harbor Laboratory Press for the RNA Society.

VICTORIA Class Submarine Human-in-the-Loop Experimentation Plan

DTIC Science & Technology

2014-06-01

1472G. VICTORIA Class Submarine Human-in-the-Loop Experimentation Plan and Preliminary Results © Her Majesty the Queen in Right of...19 th International Command and Control Research and Technology Symposium Title: VICTORIA Class Submarine Human-in-the-Loop...TYPE 3. DATES COVERED 00-00-2014 to 00-00-2014 4. TITLE AND SUBTITLE VICTORIA Class Submarine Human-in-the-Loop Experimentation Plan 5a. CONTRACT

Micromagnetic simulation of exchange coupled ferri-/ferromagnetic heterostructures

PubMed Central

Oezelt, Harald; Kovacs, Alexander; Reichel, Franz; Fischbacher, Johann; Bance, Simon; Gusenbauer, Markus; Schubert, Christian; Albrecht, Manfred; Schrefl, Thomas

2015-01-01

Exchange coupled ferri-/ferromagnetic heterostructures are a possible material composition for future magnetic storage and sensor applications. In order to understand the driving mechanisms in the demagnetization process, we perform micromagnetic simulations by employing the Landau–Lifshitz–Gilbert equation. The magnetization reversal is dominated by pinning events within the amorphous ferrimagnetic layer and at the interface between the ferrimagnetic and the ferromagnetic layer. The shape of the computed magnetization reversal loop corresponds well with experimental data, if a spatial variation of the exchange coupling across the ferri-/ferromagnetic interface is assumed. PMID:25937693

Molecular dynamics simulation study of hydrogen bonding in aqueous poly(ethylene oxide) solutions.

PubMed

Smith, G D; Bedrov, D; Borodin, O

2000-12-25

A molecular dynamics simulation study of hydrogen bonding in poly(ethylene oxide) (PEO)/water solutions was performed. PEO-water and water-water hydrogen bonding manifested complex dependence on both composition and temperature. Strong water clustering in concentrated solutions was seen. Saturation of hydrogen bonding at w(p) approximately equal to 0.5 and a dramatic decrease in PEO-water hydrogen bonding with increasing temperature, consistent with experimentally observed closed-loop phase behavior, were observed. Little tendency toward intermolecular bridging of PEO chains by water molecules was seen.

DIMENSIONS OF SIMULATION.

ERIC Educational Resources Information Center

CRAWFORD, MEREDITH P.

OPEN AND CLOSED LOOP SIMULATION IS DISCUSSED FROM THE VIEWPOINT OF RESEARCH AND DEVELOPMENT IN TRAINING TECHNIQUES. AREAS DISCUSSED INCLUDE--(1) OPEN-LOOP ENVIRONMENTAL SIMULATION, (2) SIMULATION NOT INVOLVING PEOPLE, (3) ANALYSIS OF OCCUPATIONS, (4) SIMULATION FOR TRAINING, (5) REAL-SIZE SYSTEM SIMULATION, (6) TECHNIQUES OF MINIATURIZATION, AND…

Distributed flow sensing for closed-loop speed control of a flexible fish robot.

PubMed

Zhang, Feitian; Lagor, Francis D; Yeo, Derrick; Washington, Patrick; Paley, Derek A

2015-10-23

Flexibility plays an important role in fish behavior by enabling high maneuverability for predator avoidance and swimming in turbulent flow. This paper presents a novel flexible fish robot equipped with distributed pressure sensors for flow sensing. The body of the robot is molded from soft, hyperelastic material, which provides flexibility. Its Joukowski-foil shape is conducive to modeling the fluid analytically. A quasi-steady potential-flow model is adopted for real-time flow estimation, whereas a discrete-time vortex-shedding flow model is used for higher-fidelity simulation. The dynamics for the flexible fish robot yield a reduced model for one-dimensional swimming. A recursive Bayesian filter assimilates pressure measurements to estimate flow speed, angle of attack, and foil camber. The closed-loop speed-control strategy combines an inverse-mapping feedforward controller based on an average model derived for periodic actuation of angle-of-attack and a proportional-integral feedback controller utilizing the estimated flow information. Simulation and experimental results are presented to show the effectiveness of the estimation and control strategy. The paper provides a systematic approach to distributed flow sensing for closed-loop speed control of a flexible fish robot by regulating the flapping amplitude.

Renewable Energy Generation and Storage Models | Grid Modernization | NREL

Science.gov Websites

-the-loop testing Projects Generator, Plant, and Storage Modeling, Simulation, and Validation NREL power plants. Power Hardware-in-the-Loop Testing NREL researchers are developing software-and-hardware -combined simulation testing methods known as power hardware-in-the-loop testing. Power hardware in the loop

Closed loop models for analyzing the effects of simulator characteristics. [digital simulation of human operators

NASA Technical Reports Server (NTRS)

Baron, S.; Muralidharan, R.; Kleinman, D. L.

1978-01-01

The optimal control model of the human operator is used to develop closed loop models for analyzing the effects of (digital) simulator characteristics on predicted performance and/or workload. Two approaches are considered: the first utilizes a continuous approximation to the discrete simulation in conjunction with the standard optimal control model; the second involves a more exact discrete description of the simulator in a closed loop multirate simulation in which the optimal control model simulates the pilot. Both models predict that simulator characteristics can have significant effects on performance and workload.

Micromagnetic simulation study of a disordered model for one-dimensional granular perovskite manganite oxide nanostructures

NASA Astrophysics Data System (ADS)

Longone, P.; Romá, F.

2018-06-01

Chemical techniques are an efficient method to synthesize one-dimensional perovskite manganite oxide nanostructures with a granular morphology, that is, formed by arrays of monodomain magnetic nanoparticles. Integrating the stochastic Landau-Lifshitz-Gilbert equation, we simulate the dynamics of a simple disordered model for such materials that only takes into account the morphological characteristics of their nanograins. We show that it is possible to describe reasonably well experimental hysteresis loops reported in the literature for single La0.67Ca0.33MnO3 nanotubes and powders of these nanostructures, simulating small systems consisting of only 100 nanoparticles.

Development of Virtual Airspace Simulation Technology - Real-Time (VAST-RT) Capability 2 and Experimental Plans

NASA Technical Reports Server (NTRS)

Lehmer, R.; Ingram, C.; Jovic, S.; Alderete, J.; Brown, D.; Carpenter, D.; LaForce, S.; Panda, R.; Walker, J.; Chaplin, P.;

A digitalized silicon microgyroscope based on embedded FPGA.

PubMed

Xia, Dunzhu; Yu, Cheng; Wang, Yuliang

2012-09-27

This paper presents a novel digital miniaturization method for a prototype silicon micro-gyroscope (SMG) with the symmetrical and decoupled structure. The schematic blocks of the overall system consist of high precision analog front-end interface, high-speed 18-bit analog to digital convertor, a high-performance core Field Programmable Gate Array (FPGA) chip and other peripherals such as high-speed serial ports for transmitting data. In drive mode, the closed-loop drive circuit are implemented by automatic gain control (AGC) loop and software phase-locked loop (SPLL) based on the Coordinated Rotation Digital Computer (CORDIC) algorithm. Meanwhile, the sense demodulation module based on varying step least mean square demodulation (LMSD) are addressed in detail. All kinds of algorithms are simulated by Simulink and DSPbuilder tools, which is in good agreement with the theoretical design. The experimental results have fully demonstrated the stability and flexibility of the system.

A Digitalized Silicon Microgyroscope Based on Embedded FPGA

PubMed Central

Xia, Dunzhu; Yu, Cheng; Wang, Yuliang

2012-01-01

This paper presents a novel digital miniaturization method for a prototype silicon micro-gyroscope (SMG) with the symmetrical and decoupled structure. The schematic blocks of the overall system consist of high precision analog front-end interface, high-speed 18-bit analog to digital convertor, a high-performance core Field Programmable Gate Array (FPGA) chip and other peripherals such as high-speed serial ports for transmitting data. In drive mode, the closed-loop drive circuit are implemented by automatic gain control (AGC) loop and software phase-locked loop (SPLL) based on the Coordinated Rotation Digital Computer (CORDIC) algorithm. Meanwhile, the sense demodulation module based on varying step least mean square demodulation (LMSD) are addressed in detail. All kinds of algorithms are simulated by Simulink and DSPbuilder tools, which is in good agreement with the theoretical design. The experimental results have fully demonstrated the stability and flexibility of the system. PMID:23201990

Active vibration control using a modal-domain fiber optic sensor

NASA Technical Reports Server (NTRS)

Cox, David E.

1992-01-01

A closed-loop control experiment is described in which vibrations of a cantilevered beam are suppressed using measurements from a modal-domain fiber optic sensor. Modal-domain sensors are interference between the modes of a few-mode optical waveguide to detect strain. The fiber is bonded along the length of the beam and provides a measurement related to the strain distribution on the surface of the beam. A model for the fiber optic sensor is derived, and this model is integrated with the dynamic model of the beam. A piezoelectric actuator is also bonded to the beam and used to provide control forces. Control forces are obtained through dynamic compensation of the signal from the fiber optic sensor. The compensator is implemented with a real-time digital controller. Analytical models are verified by comparing simulations to experimental results for both open-loop and closed-loop configurations.

Thrust Control Loop Design for Electric-Powered UAV

NASA Astrophysics Data System (ADS)

Byun, Heejae; Park, Sanghyuk

2018-04-01

This paper describes a process of designing a thrust control loop for an electric-powered fixed-wing unmanned aerial vehicle equipped with a propeller and a motor. In particular, the modeling method of the thrust system for thrust control is described in detail and the propeller thrust and torque force are modeled using blade element theory. A relation between current and torque of the motor is obtained using an experimental setup. Another relation between current, voltage and angular velocity is also obtained. The electric motor and the propeller dynamics are combined to model the thrust dynamics. The associated trim and linearization equations are derived. Then, the thrust dynamics are coupled with the flight dynamics to allow a proper design for the thrust loop in the flight control. The proposed method is validated by an application to a testbed UAV through simulations and flight test.

Rapid Prototyping and the Human Factors Engineering Process

DTIC Science & Technology

2016-08-29

8217 without the effort and cost associated with conventional man -in-the-loop simulation. Advocates suggest that rapid prototyping is compatible with...use should be made of man -in-the loop simulation to supplement those analyses, but that such simulation is expensive and time consuming, precluding...conventional man -in-the- loop simulation. Rapid prototyping involves the construction and use of an executable model of a human-machine interface

Experimental Study of Flexible Plate Vibration Control by Using Two-Loop Sliding Mode Control Strategy

NASA Astrophysics Data System (ADS)

Yang, Jingyu; Lin, Jiahui; Liu, Yuejun; Yang, Kang; Zhou, Lanwei; Chen, Guoping

2017-08-01

It is well known that intelligent control theory has been used in many research fields, novel modeling method (DROMM) is used for flexible rectangular active vibration control, and then the validity of new model is confirmed by comparing finite element model with new model. In this paper, taking advantage of the dynamics of flexible rectangular plate, a two-loop sliding mode (TSM) MIMO approach is introduced for designing multiple-input multiple-output continuous vibration control system, which can overcome uncertainties, disturbances or unstable dynamics. An illustrative example is given in order to show the feasibility of the method. Numerical simulations and experiment confirm the effectiveness of the proposed TSM MIMO controller.

Cardinal features of involuntary force variability can arise from the closed-loop control of viscoelastic afferented muscles

PubMed Central

Laine, Christopher M.; Valero-Cuevas, Francisco J.

2018-01-01

Involuntary force variability below 15 Hz arises from, and is influenced by, many factors including descending neural drive, proprioceptive feedback, and mechanical properties of muscles and tendons. However, their potential interactions that give rise to the well-structured spectrum of involuntary force variability are not well understood due to a lack of experimental techniques. Here, we investigated the generation, modulation, and interactions among different sources of force variability using a physiologically-grounded closed-loop simulation of an afferented muscle model. The closed-loop simulation included a musculotendon model, muscle spindle, Golgi tendon organ (GTO), and a tracking controller which enabled target-guided force tracking. We demonstrate that closed-loop control of an afferented musculotendon suffices to replicate and explain surprisingly many cardinal features of involuntary force variability. Specifically, we present 1) a potential origin of low-frequency force variability associated with co-modulation of motor unit firing rates (i.e.,‘common drive’), 2) an in-depth characterization of how proprioceptive feedback pathways suffice to generate 5-12 Hz physiological tremor, and 3) evidence that modulation of those feedback pathways (i.e., presynaptic inhibition of Ia and Ib afferents, and spindle sensitivity via fusimotor drive) influence the full spectrum of force variability. These results highlight the previously underestimated importance of closed-loop neuromechanical interactions in explaining involuntary force variability during voluntary ‘isometric’ force control. Furthermore, these results provide the basis for a unifying theory that relates spinal circuitry to various manifestations of altered involuntary force variability in fatigue, aging and neurological disease. PMID:29309405

Cardinal features of involuntary force variability can arise from the closed-loop control of viscoelastic afferented muscles.

PubMed

Nagamori, Akira; Laine, Christopher M; Valero-Cuevas, Francisco J

2018-01-01

Involuntary force variability below 15 Hz arises from, and is influenced by, many factors including descending neural drive, proprioceptive feedback, and mechanical properties of muscles and tendons. However, their potential interactions that give rise to the well-structured spectrum of involuntary force variability are not well understood due to a lack of experimental techniques. Here, we investigated the generation, modulation, and interactions among different sources of force variability using a physiologically-grounded closed-loop simulation of an afferented muscle model. The closed-loop simulation included a musculotendon model, muscle spindle, Golgi tendon organ (GTO), and a tracking controller which enabled target-guided force tracking. We demonstrate that closed-loop control of an afferented musculotendon suffices to replicate and explain surprisingly many cardinal features of involuntary force variability. Specifically, we present 1) a potential origin of low-frequency force variability associated with co-modulation of motor unit firing rates (i.e.,'common drive'), 2) an in-depth characterization of how proprioceptive feedback pathways suffice to generate 5-12 Hz physiological tremor, and 3) evidence that modulation of those feedback pathways (i.e., presynaptic inhibition of Ia and Ib afferents, and spindle sensitivity via fusimotor drive) influence the full spectrum of force variability. These results highlight the previously underestimated importance of closed-loop neuromechanical interactions in explaining involuntary force variability during voluntary 'isometric' force control. Furthermore, these results provide the basis for a unifying theory that relates spinal circuitry to various manifestations of altered involuntary force variability in fatigue, aging and neurological disease.

The Influence of Wheelchair Propulsion Hand Pattern on Upper Extremity Muscle Power and Stress

PubMed Central

Slowik, Jonathan S.; Requejo, Philip S.; Mulroy, Sara J.; Neptune, Richard R.

2016-01-01

The hand pattern (i.e., full-cycle hand path) used during manual wheelchair propulsion is frequently classified as one of four distinct hand pattern types: arc, single loop, double loop and semicircular. Current clinical guidelines recommend the use of the semicircular pattern, which is based on advantageous levels of broad biomechanical metrics implicitly related to the demand placed on the upper extremity (e.g., lower cadence). However, an understanding of the influence of hand pattern on specific measures of upper extremity muscle demand (e.g., muscle power and stress) is needed to help make such recommendations, but these quantities are difficult and impractical to measure experimentally. The purpose of this study was to use musculoskeletal modeling and forward dynamics simulations to investigate the influence of the hand pattern used on specific measures of upper extremity muscle demand. The simulation results suggest that the double loop and semicircular patterns produce the most favorable levels of overall muscle stress and total muscle power. The double loop pattern had the lowest full-cycle and recovery-phase upper extremity demand but required high levels of muscle power during the relatively short contact phase. The semicircular pattern had the second-lowest full-cycle levels of overall muscle stress and total muscle power, and demand was more evenly distributed between the contact and recovery phases. These results suggest that in order to decrease upper extremity demand, manual wheelchair users should use either the double loop or semicircular pattern when propelling their wheelchairs at a self-selected speed on level ground. PMID:27062591

Technologies for Future Precision Strike Missile Systems (les Technologies des futurs systemes de missiles pour frappe de precision)

DTIC Science & Technology

2001-07-01

hardware - in - loop (HWL) simulation is also developed...Firings / Engine Tests Structure Test Hardware In - Loop Simulation Subsystem Test Lab Tests Seeker Actuators Sensors Electronics Propulsion Model Aero Model...Structure Test Hardware In - Loop Simulation Subsystem Test Lab Tests Seeker Actuators Sensors Electronics Propulsion Model Aero Model Model

Hydrogen-Bond Driven Loop-Closure Kinetics in Unfolded Polypeptide Chains

PubMed Central

Daidone, Isabella; Neuweiler, Hannes; Doose, Sören; Sauer, Markus; Smith, Jeremy C.

2010-01-01

Characterization of the length dependence of end-to-end loop-closure kinetics in unfolded polypeptide chains provides an understanding of early steps in protein folding. Here, loop-closure in poly-glycine-serine peptides is investigated by combining single-molecule fluorescence spectroscopy with molecular dynamics simulation. For chains containing more than 10 peptide bonds loop-closing rate constants on the 20–100 nanosecond time range exhibit a power-law length dependence. However, this scaling breaks down for shorter peptides, which exhibit slower kinetics arising from a perturbation induced by the dye reporter system used in the experimental setup. The loop-closure kinetics in the longer peptides is found to be determined by the formation of intra-peptide hydrogen bonds and transient β-sheet structure, that accelerate the search for contacts among residues distant in sequence relative to the case of a polypeptide chain in which hydrogen bonds cannot form. Hydrogen-bond-driven polypeptide-chain collapse in unfolded peptides under physiological conditions found here is not only consistent with hierarchical models of protein folding, that highlights the importance of secondary structure formation early in the folding process, but is also shown to speed up the search for productive folding events. PMID:20098498

Proline Restricts Loop I Conformation of the High Affinity WW Domain from Human Nedd4-1 to a Ligand Binding-Competent Type I β-Turn.

PubMed

Schulte, Marianne; Panwalkar, Vineet; Freischem, Stefan; Willbold, Dieter; Dingley, Andrew J

2018-04-19

Sequence alignment of the four WW domains from human Nedd4-1 (neuronal precursor cell expressed developmentally down-regulated gene 4-1) reveals that the highest sequence diversity exists in loop I. Three residues in this type I β-turn interact with the PPxY motif of the human epithelial Na + channel (hENaC) subunits, indicating that peptide affinity is defined by the loop I sequence. The third WW domain (WW3*) has the highest ligand affinity and unlike the other three hNedd4-1 WW domains or other WW domains studied contains the highly statistically preferred proline at the ( i + 1) position found in β-turns. In this report, molecular dynamics simulations and experimental data were combined to characterize loop I stability and dynamics. Exchange of the proline to the equivalent residue in WW4 (Thr) results in the presence of a predominantly open seven residue Ω loop rather than the type I β-turn conformation for the wild-type apo-WW3*. In the presence of the ligand, the structure of the mutated loop I is locked into a type I β-turn. Thus, proline in loop I ensures a stable peptide binding-competent β-turn conformation, indicating that amino acid sequence modulates local flexibility to tune binding preferences and stability of dynamic interaction motifs.

Polarization chaos and random bit generation in nonlinear fiber optics induced by a time-delayed counter-propagating feedback loop.

PubMed

Morosi, J; Berti, N; Akrout, A; Picozzi, A; Guasoni, M; Fatome, J

2018-01-22

In this manuscript, we experimentally and numerically investigate the chaotic dynamics of the state-of-polarization in a nonlinear optical fiber due to the cross-interaction between an incident signal and its intense backward replica generated at the fiber-end through an amplified reflective delayed loop. Thanks to the cross-polarization interaction between the two-delayed counter-propagating waves, the output polarization exhibits fast temporal chaotic dynamics, which enable a powerful scrambling process with moving speeds up to 600-krad/s. The performance of this all-optical scrambler was then evaluated on a 10-Gbit/s On/Off Keying telecom signal achieving an error-free transmission. We also describe how these temporal and chaotic polarization fluctuations can be exploited as an all-optical random number generator. To this aim, a billion-bit sequence was experimentally generated and successfully confronted to the dieharder benchmarking statistic tools. Our experimental analysis are supported by numerical simulations based on the resolution of counter-propagating coupled nonlinear propagation equations that confirm the observed behaviors.

Experimental Apparatus to Observe Dynamical Manifestations of Hamiltonian Monodromy

NASA Astrophysics Data System (ADS)

Nerem, M. Perry; Salmon, Danial; Delos, John; Aubin, Seth

An experiment to observe a topological change in a classical system with nontrivial monodromy is presented. Monodromy is the study of the topological behavior of a system as it evolves along a closed path. If the system does not return to the initial topological state at the end of the circuit, that system exhibits nontrivial monodromy. Such a topological change has been predicted in certain mechanical systems, but has not yet been observed experimentally. One such system is a family of paths in a cylindrically symmetric champagne-bottle potential, with a classically forbidden region centered at the origin. We constructed this system with a long spherically symmetric pendulum and a permanent magnet attached at the end. Magnetic fields from coils are used to create the potential barrier and the external forces to drive the pendulum about a monodromy circuit. A loop of initial conditions, that is initially on one side of the forbidden region, is driven smoothly about this circuit such that it continuously evolves into a loop that surrounds the forbidden region. We will display this phenomena through numerical simulations and hopefully experimental measurement.

Kalman filter based control for Adaptive Optics

NASA Astrophysics Data System (ADS)

Petit, Cyril; Quiros-Pacheco, Fernando; Conan, Jean-Marc; Kulcsár, Caroline; Raynaud, Henri-François; Fusco, Thierry

2004-12-01

Classical Adaptive Optics suffer from a limitation of the corrected Field Of View. This drawback has lead to the development of MultiConjugated Adaptive Optics. While the first MCAO experimental set-ups are presently under construction, little attention has been paid to the control loop. This is however a key element in the optimization process especially for MCAO systems. Different approaches have been proposed in recent articles for astronomical applications : simple integrator, Optimized Modal Gain Integrator and Kalman filtering. We study here Kalman filtering which seems a very promising solution. Following the work of Brice Leroux, we focus on a frequential characterization of kalman filters, computing a transfer matrix. The result brings much information about their behaviour and allows comparisons with classical controllers. It also appears that straightforward improvements of the system models can lead to static aberrations and vibrations filtering. Simulation results are proposed and analysed thanks to our frequential characterization. Related problems such as model errors, aliasing effect reduction or experimental implementation and testing of Kalman filter control loop on a simplified MCAO experimental set-up could be then discussed.

Idealized vs. Realistic Microstructures: An Atomistic Simulation Case Study on γ/γ′ Microstructures

PubMed Central

Prakash, Aruna; Bitzek, Erik

2017-01-01

Single-crystal Ni-base superalloys, consisting of a two-phase γ/γ′ microstructure, retain high strengths at elevated temperatures and are key materials for high temperature applications, like, e.g., turbine blades of aircraft engines. The lattice misfit between the γ and γ′ phases results in internal stresses, which significantly influence the deformation and creep behavior of the material. Large-scale atomistic simulations that are often used to enhance our understanding of the deformation mechanisms in such materials must accurately account for such misfit stresses. In this work, we compare the internal stresses in both idealized and experimentally-informed, i.e., more realistic, γ/γ′ microstructures. The idealized samples are generated by assuming, as is frequently done, a periodic arrangement of cube-shaped γ′ particles with planar γ/γ′ interfaces. The experimentally-informed samples are generated from two different sources to produce three different samples—the scanning electron microscopy micrograph-informed quasi-2D atomistic sample and atom probe tomography-informed stoichiometric and non-stoichiometric atomistic samples. Additionally, we compare the stress state of an idealized embedded cube microstructure with finite element simulations incorporating 3D periodic boundary conditions. Subsequently, we study the influence of the resulting stress state on the evolution of dislocation loops in the different samples. The results show that the stresses in the atomistic and finite element simulations are almost identical. Furthermore, quasi-2D boundary conditions lead to a significantly different stress state and, consequently, different evolution of the dislocation loop, when compared to samples with fully 3D boundary conditions. PMID:28772453

Idealized vs. Realistic Microstructures: An Atomistic Simulation Case Study on γ/γ' Microstructures.

PubMed

Prakash, Aruna; Bitzek, Erik

2017-01-23

Single-crystal Ni-base superalloys, consisting of a two-phase γ / γ ' microstructure, retain high strengths at elevated temperatures and are key materials for high temperature applications, like, e.g., turbine blades of aircraft engines. The lattice misfit between the γ and γ ' phases results in internal stresses, which significantly influence the deformation and creep behavior of the material. Large-scale atomistic simulations that are often used to enhance our understanding of the deformation mechanisms in such materials must accurately account for such misfit stresses. In this work, we compare the internal stresses in both idealized and experimentally-informed, i.e., more realistic, γ / γ ' microstructures. The idealized samples are generated by assuming, as is frequently done, a periodic arrangement of cube-shaped γ ' particles with planar γ / γ ' interfaces. The experimentally-informed samples are generated from two different sources to produce three different samples-the scanning electron microscopy micrograph-informed quasi-2D atomistic sample and atom probe tomography-informed stoichiometric and non-stoichiometric atomistic samples. Additionally, we compare the stress state of an idealized embedded cube microstructure with finite element simulations incorporating 3D periodic boundary conditions. Subsequently, we study the influence of the resulting stress state on the evolution of dislocation loops in the different samples. The results show that the stresses in the atomistic and finite element simulations are almost identical. Furthermore, quasi-2D boundary conditions lead to a significantly different stress state and, consequently, different evolution of the dislocation loop, when compared to samples with fully 3D boundary conditions.

Simulation of magnetic island dynamics under resonant magnetic perturbation with the TEAR code and validation of the results on T-10 tokamak data

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

Ivanov, N. V.; Kakurin, A. M.

2014-10-15

Simulation of the magnetic island evolution under Resonant Magnetic Perturbation (RMP) in rotating T-10 tokamak plasma is presented with intent of TEAR code experimental validation. In the T-10 experiment chosen for simulation, the RMP consists of a stationary error field, a magnetic field of the eddy current in the resistive vacuum vessel and magnetic field of the externally applied controlled halo current in the plasma scrape-off layer (SOL). The halo-current loop consists of a rail limiter, plasma SOL, vacuum vessel, and external part of the circuit. Effects of plasma resistivity, viscosity, and RMP are taken into account in the TEARmore » code based on the two-fluid MHD approximation. Radial distribution of the magnetic flux perturbation is calculated with account of the externally applied RMP. A good agreement is obtained between the simulation results and experimental data for the cases of preprogrammed and feedback-controlled halo current in the plasma SOL.« less

Improving membrane protein expression by optimizing integration efficiency

PubMed Central

2017-01-01

The heterologous overexpression of integral membrane proteins in Escherichia coli often yields insufficient quantities of purifiable protein for applications of interest. The current study leverages a recently demonstrated link between co-translational membrane integration efficiency and protein expression levels to predict protein sequence modifications that improve expression. Membrane integration efficiencies, obtained using a coarse-grained simulation approach, robustly predicted effects on expression of the integral membrane protein TatC for a set of 140 sequence modifications, including loop-swap chimeras and single-residue mutations distributed throughout the protein sequence. Mutations that improve simulated integration efficiency were 4-fold enriched with respect to improved experimentally observed expression levels. Furthermore, the effects of double mutations on both simulated integration efficiency and experimentally observed expression levels were cumulative and largely independent, suggesting that multiple mutations can be introduced to yield higher levels of purifiable protein. This work provides a foundation for a general method for the rational overexpression of integral membrane proteins based on computationally simulated membrane integration efficiencies. PMID:28918393

Exploring the Mechanism of Zanamivir Resistance in a Neuraminidase Mutant: A Molecular Dynamics Study

PubMed Central

Han, Nanyu; Liu, Xuewei; Mu, Yuguang

2012-01-01

It is critical to understand the molecular basis of the drug resistance of influenza viruses to efficiently treat this infectious disease. Recently, H1N1 strains of influenza A carrying a mutation of Q136K in neuraminidase were found. The new strain showed a strong Zanamivir neutralization effect. In this study, normal molecular dynamics simulations and metadynamics simulations were employed to explore the mechanism of Zanamivir resistance. The wild-type neuraminidase contained a 310 helix before the 150 loop, and there was interaction between the 150 and 430 loops. However, the helix and the interaction between the two loops were disturbed in the mutant protein due to interaction between K136 and nearby residues. Hydrogen-bond network analysis showed weakened interaction between the Zanamivir drug and E276/D151 on account of the electrostatic interaction between K136 and D151. Metadynamics simulations showed that the free energy landscape was different in the mutant than in the wild-type neuraminidase. Conformation with the global minimum of free energy for the mutant protein was different from the wild-type conformation. While the drug fit completely into the active site of the wild-type neuraminidase, it did not match the active site of the mutant variant. This study indicates that the altered hydrogen-bond network and the deformation of the 150 loop are the key factors in development of Zanamivir resistance. Furthermore, the Q136K mutation has a variable effect on conformation of different N1 variants, with conformation of the 1918 N1 variant being more profoundly affected than that of the other N1 variants studied in this paper. This observation warrants further experimental investigation. PMID:22970161

Exploring the mechanism of zanamivir resistance in a neuraminidase mutant: a molecular dynamics study.

PubMed

Han, Nanyu; Liu, Xuewei; Mu, Yuguang

2012-01-01

It is critical to understand the molecular basis of the drug resistance of influenza viruses to efficiently treat this infectious disease. Recently, H1N1 strains of influenza A carrying a mutation of Q136K in neuraminidase were found. The new strain showed a strong Zanamivir neutralization effect. In this study, normal molecular dynamics simulations and metadynamics simulations were employed to explore the mechanism of Zanamivir resistance. The wild-type neuraminidase contained a 3(10) helix before the 150 loop, and there was interaction between the 150 and 430 loops. However, the helix and the interaction between the two loops were disturbed in the mutant protein due to interaction between K136 and nearby residues. Hydrogen-bond network analysis showed weakened interaction between the Zanamivir drug and E276/D151 on account of the electrostatic interaction between K136 and D151. Metadynamics simulations showed that the free energy landscape was different in the mutant than in the wild-type neuraminidase. Conformation with the global minimum of free energy for the mutant protein was different from the wild-type conformation. While the drug fit completely into the active site of the wild-type neuraminidase, it did not match the active site of the mutant variant. This study indicates that the altered hydrogen-bond network and the deformation of the 150 loop are the key factors in development of Zanamivir resistance. Furthermore, the Q136K mutation has a variable effect on conformation of different N1 variants, with conformation of the 1918 N1 variant being more profoundly affected than that of the other N1 variants studied in this paper. This observation warrants further experimental investigation.

Extended molecular dynamics of a c-kit promoter quadruplex

PubMed Central

Islam, Barira; Stadlbauer, Petr; Krepl, Miroslav; Koca, Jaroslav; Neidle, Stephen; Haider, Shozeb; Sponer, Jiri

2015-01-01

The 22-mer c-kit promoter sequence folds into a parallel-stranded quadruplex with a unique structure, which has been elucidated by crystallographic and NMR methods and shows a high degree of structural conservation. We have carried out a series of extended (up to 10 μs long, ∼50 μs in total) molecular dynamics simulations to explore conformational stability and loop dynamics of this quadruplex. Unfolding no-salt simulations are consistent with a multi-pathway model of quadruplex folding and identify the single-nucleotide propeller loops as the most fragile part of the quadruplex. Thus, formation of propeller loops represents a peculiar atomistic aspect of quadruplex folding. Unbiased simulations reveal μs-scale transitions in the loops, which emphasizes the need for extended simulations in studies of quadruplex loops. We identify ion binding in the loops which may contribute to quadruplex stability. The long lateral-propeller loop is internally very stable but extensively fluctuates as a rigid entity. It creates a size-adaptable cleft between the loop and the stem, which can facilitate ligand binding. The stability gain by forming the internal network of GA base pairs and stacks of this loop may be dictating which of the many possible quadruplex topologies is observed in the ground state by this promoter quadruplex. PMID:26245347

Fragmentation of cosmic-string loops

NASA Technical Reports Server (NTRS)

York, Thomas

1989-01-01

The fragmentation of cosmic string loops is discussed, and the results of a simulation of this process are presented. The simulation can evolve any of a large class of loops essentially exactly, including allowing fragments that collide to join together. Such reconnection enhances the production of small fragments, but not drastically. With or without reconnections, the fragmentation process produces a collection of nonself-intersecting loops whose typical length is on the order of the persistence length of the initial loop.

Research on the Dynamic Hysteresis Loop Model of the Residence Times Difference (RTD)-Fluxgate

PubMed Central

Wang, Yanzhang; Wu, Shujun; Zhou, Zhijian; Cheng, Defu; Pang, Na; Wan, Yunxia

2013-01-01

Based on the core hysteresis features, the RTD-fluxgate core, while working, is repeatedly saturated with excitation field. When the fluxgate simulates, the accurate characteristic model of the core may provide a precise simulation result. As the shape of the ideal hysteresis loop model is fixed, it cannot accurately reflect the actual dynamic changing rules of the hysteresis loop. In order to improve the fluxgate simulation accuracy, a dynamic hysteresis loop model containing the parameters which have actual physical meanings is proposed based on the changing rule of the permeability parameter when the fluxgate is working. Compared with the ideal hysteresis loop model, this model has considered the dynamic features of the hysteresis loop, which makes the simulation results closer to the actual output. In addition, other hysteresis loops of different magnetic materials can be explained utilizing the described model for an example of amorphous magnetic material in this manuscript. The model has been validated by the output response comparison between experiment results and fitting results using the model. PMID:24002230

Long-period Intensity Pulsations in Coronal Loops Explained by Thermal Non-equilibrium Cycles

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

Froment, C.; Auchère, F.; Bocchialini, K.

In solar coronal loops, thermal non-equilibrium (TNE) is a phenomenon that can occur when the heating is both highly stratified and quasi-constant. Unambiguous observational identification of TNE would thus permit us to strongly constrain heating scenarios. While TNE is currently the standard interpretation of coronal rain, the long-term periodic evolution predicted by simulations has never been observed. However, the detection of long-period intensity pulsations (periods of several hours) has been recently reported with the Solar and Heliospheric Observatory /EIT, and this phenomenon appears to be very common in loops. Moreover, the three intensity-pulsation events that we recently studied with themore » Solar Dynamics Observatory /Atmospheric Imaging Assembly (AIA) show strong evidence for TNE in warm loops. In this paper, a realistic loop geometry from linear force-free field (LFFF) extrapolations is used as input to 1D hydrodynamic simulations. Our simulations show that, for the present loop geometry, the heating has to be asymmetrical to produce TNE. We analyze in detail one particular simulation that reproduces the average thermal behavior of one of the pulsating loop bundle observed with AIA. We compare the properties of this simulation with those deduced from the observations. The magnetic topology of the LFFF extrapolations points to the presence of sites of preferred reconnection at one footpoint, supporting the presence of asymmetric heating. In addition, we can reproduce the temporal large-scale intensity properties of the pulsating loops. This simulation further strengthens the interpretation of the observed pulsations as signatures of TNE. This consequently provides important information on the heating localization and timescale for these loops.« less

Near optimum digital phase locked loops.

NASA Technical Reports Server (NTRS)

Polk, D. R.; Gupta, S. C.

1972-01-01

Near optimum digital phase locked loops are derived utilizing nonlinear estimation theory. Nonlinear approximations are employed to yield realizable loop structures. Baseband equivalent loop gains are derived which under high signal to noise ratio conditions may be calculated off-line. Additional simplifications are made which permit the application of the Kalman filter algorithms to determine the optimum loop filter. Performance is evaluated by a theoretical analysis and by simulation. Theoretical and simulated results are discussed and a comparison to analog results is made.

Experimental and numerical investigation of strain rate effect on low cycle fatigue behaviour of AA 5754 alloy

NASA Astrophysics Data System (ADS)

Kumar, P.; Singh, A.

2018-04-01

The present study deals with evaluation of low cycle fatigue (LCF) behavior of aluminum alloy 5754 (AA 5754) at different strain rates. This alloy has magnesium (Mg) as main alloying element (Al-Mg alloy) which makes this alloy suitable for Marines and Cryogenics applications. The testing procedure and specimen preparation are guided by ASTM E606 standard. The tests are performed at 0.5% strain amplitude with three different strain rates i.e. 0.5×10-3 sec-1, 1×10-3 sec-1 and 2×10-3 sec-1 thus the frequency of tests vary accordingly. The experimental results show that there is significant decrease in the fatigue life with the increase in strain rate. LCF behavior of AA 5754 is also simulated at different strain rates by finite element method. Chaboche kinematic hardening cyclic plasticity model is used for simulating the hardening behavior of the material. Axisymmetric finite element model is created to reduce the computational cost of the simulation. The material coefficients used for “Chaboche Model” are determined by experimentally obtained stabilized hysteresis loop. The results obtained from finite element simulation are compared with those obtained through LCF experiments.

Three-dimensional magnetohydrodynamical simulation of expanding magnetic flux ropes

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

Arnold, L.; Dreher, J.; Grauer, R.

Three-dimensional, time-dependent numerical simulations of the dynamics of magnetic flux ropes are presented. The simulations are targeted towards an experiment previously conducted at California Institute of Technology [P. M. Bellan and J. F. Hansen, Phys. Plasmas 5, 1991 (1998)] which aimed at simulating solar prominence eruptions in the laboratory. The plasma dynamics is described by ideal magnetohydrodynamics using different models for the evolution of the mass density. The initial current distribution represents the situation at the plasma creation phase, while it is not increased during the simulation. Key features of the reported experimental observations like pinching of the current loop,more » its expansion and distortion into helical shape are reproduced in the numerical simulations. Details of the final structure depend on the choice of a specific model for the mass density.« less

Transfer function verification and block diagram simplification of a very high-order distributed pole closed-loop servo by means of non-linear time-response simulation

NASA Technical Reports Server (NTRS)

Mukhopadhyay, A. K.

1975-01-01

Linear frequency domain methods are inadequate in analyzing the 1975 Viking Orbiter (VO75) digital tape recorder servo due to dominant nonlinear effects such as servo signal limiting, unidirectional servo control, and static/dynamic Coulomb friction. The frequency loop (speed control) servo of the VO75 tape recorder is used to illustrate the analytical tools and methodology of system redundancy elimination and high order transfer function verification. The paper compares time-domain performance parameters derived from a series of nonlinear time responses with the available experimental data in order to select the best possible analytical transfer function representation of the tape transport (mechanical segment of the tape recorder) from several possible candidates. The study also shows how an analytical time-response simulation taking into account most system nonlinearities can pinpoint system redundancy and overdesign stemming from a strictly empirical design approach. System order reduction is achieved through truncation of individual transfer functions and elimination of redundant blocks.

Microgrids | Energy Systems Integration Facility | NREL

Science.gov Websites

Manager, Marine Corps Air Station (MCAS) Miramar Network Simulator-in-the-Loop Testing OMNeT++: simulates a network and links with real computers and virtual hosts. Power Hardware-in-the-Loop Simulation

Novel approach for beacon formation through simulated turbulence: initial lab-test results

NASA Astrophysics Data System (ADS)

Khizhnyak, A.; Markov, V.; Tomov, I.; Wu, F.

2010-02-01

In this paper we report the results of the analysis and experimental modeling of the target-in-the-loop (TIL) approach that is used to form a localized beacon for a laser beam propagating through turbulent atmosphere. The analogy between the TIL system and the laser cavity has been used here to simulate the process shaping the laser beacon on a remote image-resolved target with rough surface. The TIL breadboard was integrated and used for laboratory modeling of the proposed approach. This breadboard allowed to simulate the TIL arrangement with a rough-surface target and laser beam propagation through the turbulent atmospheric layer. Here we present the initial results of the performed studies.

A structural model of polyglutamine determined from a host-guest method combining experiments and landscape theory.

PubMed

Finke, John M; Cheung, Margaret S; Onuchic, José N

2004-09-01

Modeling the structure of natively disordered peptides has proved difficult due to the lack of structural information on these peptides. In this work, we use a novel application of the host-guest method, combining folding theory with experiments, to model the structure of natively disordered polyglutamine peptides. Initially, a minimalist molecular model (C(alpha)C(beta)) of CI2 is developed with a structurally based potential and captures many of the folding properties of CI2 determined from experiments. Next, polyglutamine "guest" inserts of increasing length are introduced into the CI2 "host" model and the polyglutamine is modeled to match the resultant change in CI2 thermodynamic stability between simulations and experiments. The polyglutamine model that best mimics the experimental changes in CI2 thermodynamic stability has 1), a beta-strand dihedral preference and 2), an attractive energy between polyglutamine atoms 0.75-times the attractive energy between the CI2 host Go-contacts. When free-energy differences in the CI2 host-guest system are correctly modeled at varying lengths of polyglutamine guest inserts, the kinetic folding rates and structural perturbation of these CI2 insert mutants are also correctly captured in simulations without any additional parameter adjustment. In agreement with experiments, the residues showing structural perturbation are located in the immediate vicinity of the loop insert. The simulated polyglutamine loop insert predominantly adopts extended random coil conformations, a structural model consistent with low resolution experimental methods. The agreement between simulation and experimental CI2 folding rates, CI2 structural perturbation, and polyglutamine insert structure show that this host-guest method can select a physically realistic model for inserted polyglutamine. If other amyloid peptides can be inserted into stable protein hosts and the stabilities of these host-guest mutants determined, this novel host-guest method may prove useful to determine structural preferences of these intractable but biologically relevant protein fragments.

Prediction of protein loop conformations using multiscale modeling methods with physical energy scoring functions.

PubMed

Olson, Mark A; Feig, Michael; Brooks, Charles L

2008-04-15

This article examines ab initio methods for the prediction of protein loops by a computational strategy of multiscale conformational sampling and physical energy scoring functions. Our approach consists of initial sampling of loop conformations from lattice-based low-resolution models followed by refinement using all-atom simulations. To allow enhanced conformational sampling, the replica exchange method was implemented. Physical energy functions based on CHARMM19 and CHARMM22 parameterizations with generalized Born (GB) solvent models were applied in scoring loop conformations extracted from the lattice simulations and, in the case of all-atom simulations, the ensemble of conformations were generated and scored with these models. Predictions are reported for 25 loop segments, each eight residues long and taken from a diverse set of 22 protein structures. We find that the simulations generally sampled conformations with low global root-mean-square-deviation (RMSD) for loop backbone coordinates from the known structures, whereas clustering conformations in RMSD space and scoring detected less favorable loop structures. Specifically, the lattice simulations sampled basins that exhibited an average global RMSD of 2.21 +/- 1.42 A, whereas clustering and scoring the loop conformations determined an RMSD of 3.72 +/- 1.91 A. Using CHARMM19/GB to refine the lattice conformations improved the sampling RMSD to 1.57 +/- 0.98 A and detection to 2.58 +/- 1.48 A. We found that further improvement could be gained from extending the upper temperature in the all-atom refinement from 400 to 800 K, where the results typically yield a reduction of approximately 1 A or greater in the RMSD of the detected loop. Overall, CHARMM19 with a simple pairwise GB solvent model is more efficient at sampling low-RMSD loop basins than CHARMM22 with a higher-resolution modified analytical GB model; however, the latter simulation method provides a more accurate description of the all-atom energy surface, yet demands a much greater computational cost. (c) 2007 Wiley Periodicals, Inc.

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

NASA Technical Reports Server (NTRS)

Kwon, Dong-Soo; Book, Wayne J.

1991-01-01

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

SimSup's Loop: A Control Theory Approach to Spacecraft Operator Training

NASA Technical Reports Server (NTRS)

Owens, Brandon Dewain; Crocker, Alan R.

2015-01-01

Immersive simulation is a staple of training for many complex system operators, including astronauts and ground operators of spacecraft. However, while much has been written about simulators, simulation facilities, and operator certification programs, the topic of how one develops simulation scenarios to train a spacecraft operator is relatively understated in the literature. In this paper, an approach is presented for using control theory as the basis for developing the immersive simulation scenarios for a spacecraft operator training program. The operator is effectively modeled as a high level controller of lower level hardware and software control loops that affect a select set of system state variables. Simulation scenarios are derived from a STAMP-based hazard analysis of the operator's high and low level control loops. The immersive simulation aspect of the overall training program is characterized by selecting a set of scenarios that expose the operator to the various inadequate control actions that stem from control flaws and inadequate control executions in the different sections of the typical control loop. Results from the application of this approach to the Lunar Atmosphere and Dust Environment Explorer (LADEE) mission are provided through an analysis of the simulation scenarios used for operator training and the actual anomalies that occurred during the mission. The simulation scenarios and inflight anomalies are mapped to specific control flaws and inadequate control executions in the different sections of the typical control loop to illustrate the characteristics of anomalies arising from the different sections of the typical control loop (and why it is important for operators to have exposure to these characteristics). Additionally, similarities between the simulation scenarios and inflight anomalies are highlighted to make the case that the simulation scenarios prepared the operators for the mission.

Atomistic modeling of shock-induced void collapse in copper

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

Davila, L P; Erhart, P; Bringa, E M

2005-03-09

Nonequilibrium molecular dynamics (MD) simulations show that shock-induced void collapse in copper occurs by emission of shear loops. These loops carry away the vacancies which comprise the void. The growth of the loops continues even after they collide and form sessile junctions, creating a hardened region around the collapsing void. The scenario seen in our simulations differs from current models that assume that prismatic loop emission is responsible for void collapse. We propose a new dislocation-based model that gives excellent agreement with the stress threshold found in the MD simulations for void collapse as a function of void radius.

Simulation and Measurement of Medium-Frequency Signals Coupling From a Line to a Loop Antenna

PubMed Central

Damiano, Nicholas W.; Li, Jingcheng; Zhou, Chenming; Brocker, Donovan E.; Qin, Yifeng; Werner, Douglas H.; Werner, Pingjuan L.

2016-01-01

The underground-mining environment can affect radio-signal propagation in various ways. Understanding these effects is especially critical in evaluating communications systems used during normal mining operations and during mine emergencies. One of these types of communications systems relies on medium-frequency (MF) radio frequencies. This paper presents the simulation and measurement results of recent National Institute for Occupational Safety and Health (NIOSH) research aimed at investigating MF coupling between a transmission line (TL) and a loop antenna in an underground coal mine. Two different types of measurements were completed: 1) line-current distribution and 2) line-to-antenna coupling. Measurements were taken underground in an experimental coal mine and on a specially designed surface test area. The results of these tests are characterized by current along a TL and voltage induced in the loop from a line. This paper concludes with a discussion of issues for MF TLs. These include electromagnetic fields at the ends of the TL, connection of the ends of the TL, the effect of other conductors underground, and the proximity of coal or earth. These results could help operators by providing examples of these challenges that may be experienced underground and a method by which to measure voltage induced by a line. PMID:27784954

Autonomous Visual Tracking of Stationary Targets Using Small Unmanned Aerial Vehicles

DTIC Science & Technology

2004-06-01

59 Figure 43. Commanded and Actual Yaw Rates during Simulation ..................................60 Figure 44. Setup for Hardware In Loop Simulation...System with AVDS Figure 44. Setup for Hardware In Loop Simulation with AVDS and PerceptiVU 2. Test Conditions Simulations were conducted for the

Closed-Loop HIRF Experiments Performed on a Fault Tolerant Flight Control Computer

NASA Technical Reports Server (NTRS)

Belcastro, Celeste M.

1997-01-01

ABSTRACT Closed-loop HIRF experiments were performed on a fault tolerant flight control computer (FCC) at the NASA Langley Research Center. The FCC used in the experiments was a quad-redundant flight control computer executing B737 Autoland control laws. The FCC was placed in one of the mode-stirred reverberation chambers in the HIRF Laboratory and interfaced to a computer simulation of the B737 flight dynamics, engines, sensors, actuators, and atmosphere in the Closed-Loop Systems Laboratory. Disturbances to the aircraft associated with wind gusts and turbulence were simulated during tests. Electrical isolation between the FCC under test and the simulation computer was achieved via a fiber optic interface for the analog and discrete signals. Closed-loop operation of the FCC enabled flight dynamics and atmospheric disturbances affecting the aircraft to be represented during tests. Upset was induced in the FCC as a result of exposure to HIRF, and the effect of upset on the simulated flight of the aircraft was observed and recorded. This paper presents a description of these closed- loop HIRF experiments, upset data obtained from the FCC during these experiments, and closed-loop effects on the simulated flight of the aircraft.

Simulating nanostorm heating in coronal loops using hydrodynamics and non-thermal particle evolution

NASA Astrophysics Data System (ADS)

Migliore, Christina; Winter, Henry; Murphy, Nicholas

2018-01-01

The solar corona is filled with loop-like structures that appear bright against the background when observed in the extreme ultraviolet (EUV). These loops have several remarkable properties that are not yet well understood. Warm loops (∼ 1 MK) appear to be ∼ 2 ‑ 9 times as dense at their apex as the predictions of hydrostatic atmosphere models. These loops also appear to be of constant cross-section despite the fact that the field strength in a potential magnetic field should decrease in the corona, causing the loops to expand. It is not clear why many active region loops appear to be of constant cross-section. Theories range from an internal twist of the magnetic field to observational effects. In this work we simulate active region loops heated by nanoflare storms using a dipolar magnetic field. We calculate the hydrodynamic properties for each loop using advanced hydrodynamics codes to simulate the corona and chromospheric response and basic dipole models to represent the magnetic fields of the loops. We show that even modest variations of the magnetic field strength along the loop can lead to drastic changes in the density profiles of active region loops, and they can also explain the overpressure at the apex of these loops. Synthetic AIA images of each loop are made to show the observable consequences of varying magnetic field strengths along the loop’s axis of symmetry. We also show how this work can lead to improved modeling of larger solar and stellar flares.

Closed-loop control of renal perfusion pressure in physiological experiments.

PubMed

Campos-Delgado, D U; Bonilla, I; Rodríguez-Martínez, M; Sánchez-Briones, M E; Ruiz-Hernández, E

2013-07-01

This paper presents the design, experimental modeling, and control of a pump-driven renal perfusion pressure (RPP)-regulatory system to implement precise and relatively fast RPP regulation in rats. The mechatronic system is a simple, low-cost, and reliable device to automate the RPP regulation process based on flow-mediated occlusion. Hence, the regulated signal is the RPP measured in the left femoral artery of the rat, and the manipulated variable is the voltage applied to a dc motor that controls the occlusion of the aorta. The control system is implemented in a PC through the LabView software, and a data acquisition board NI USB-6210. A simple first-order linear system is proposed to approximate the dynamics in the experiment. The parameters of the model are chosen to minimize the error between the predicted and experimental output averaged from eight input/output datasets at different RPP operating conditions. A closed-loop servocontrol system based on a pole-placement PD controller plus dead-zone compensation was proposed for this purpose. First, the feedback structure was validated in simulation by considering parameter uncertainty, and constant and time-varying references. Several experimental tests were also conducted to validate in real time the closed-loop performance for stepwise and fast switching references, and the results show the effectiveness of the proposed automatic system to regulate the RPP in the rat, in a precise, accurate (mean error less than 2 mmHg) and relatively fast mode (10-15 s of response time).

Mean field analysis of a spatial stochastic model of a gene regulatory network.

PubMed

Sturrock, M; Murray, P J; Matzavinos, A; Chaplain, M A J

2015-10-01

A gene regulatory network may be defined as a collection of DNA segments which interact with each other indirectly through their RNA and protein products. Such a network is said to contain a negative feedback loop if its products inhibit gene transcription, and a positive feedback loop if a gene product promotes its own production. Negative feedback loops can create oscillations in mRNA and protein levels while positive feedback loops are primarily responsible for signal amplification. It is often the case in real biological systems that both negative and positive feedback loops operate in parameter regimes that result in low copy numbers of gene products. In this paper we investigate the spatio-temporal dynamics of a single feedback loop in a eukaryotic cell. We first develop a simplified spatial stochastic model of a canonical feedback system (either positive or negative). Using a Gillespie's algorithm, we compute sample trajectories and analyse their corresponding statistics. We then derive a system of equations that describe the spatio-temporal evolution of the stochastic means. Subsequently, we examine the spatially homogeneous case and compare the results of numerical simulations with the spatially explicit case. Finally, using a combination of steady-state analysis and data clustering techniques, we explore model behaviour across a subregion of the parameter space that is difficult to access experimentally and compare the parameter landscape of our spatio-temporal and spatially-homogeneous models.

Multi-loop control of UPS inverter with a plug-in odd-harmonic repetitive controller.

PubMed

Razi, Reza; Karbasforooshan, Mohammad-Sadegh; Monfared, Mohammad

2017-03-01

This paper proposes an improved multi-loop control scheme for the single-phase uninterruptible power supply (UPS) inverter by using a plug-in odd-harmonic repetitive controller to regulate the output voltage. In the suggested control method, the output voltage and the filter capacitor current are used as the outer and inner loop feedback signals, respectively and the instantaneous value of the reference voltage feedforwarded to the output of the controller. Instead of conventional linear (proportional-integral/-resonant) and conventional repetitive controllers, a plug-in odd-harmonic repetitive controller is employed in the outer loop to regulate the output voltage, which occupies less memory space and offers faster tracking performance compared to the conventional one. Also, a simple proportional controller is used in the inner loop for active damping of possible resonances and improving the transient performance. The feedforward of the converter reference voltage enhances the robust performance of the system and simplifies the system modelling and the controller design. A step-by-step design procedure is presented for the proposed controller, which guarantees stability of the system under worst-case scenarios. Simulation and experimental results validate the excellent steady-state and transient performance of the proposed control scheme and provide the exact comparison of the proposed method with the conventional multi-loop control method. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.

Protein loop modeling using a new hybrid energy function and its application to modeling in inaccurate structural environments.

PubMed

Park, Hahnbeom; Lee, Gyu Rie; Heo, Lim; Seok, Chaok

2014-01-01

Protein loop modeling is a tool for predicting protein local structures of particular interest, providing opportunities for applications involving protein structure prediction and de novo protein design. Until recently, the majority of loop modeling methods have been developed and tested by reconstructing loops in frameworks of experimentally resolved structures. In many practical applications, however, the protein loops to be modeled are located in inaccurate structural environments. These include loops in model structures, low-resolution experimental structures, or experimental structures of different functional forms. Accordingly, discrepancies in the accuracy of the structural environment assumed in development of the method and that in practical applications present additional challenges to modern loop modeling methods. This study demonstrates a new strategy for employing a hybrid energy function combining physics-based and knowledge-based components to help tackle this challenge. The hybrid energy function is designed to combine the strengths of each energy component, simultaneously maintaining accurate loop structure prediction in a high-resolution framework structure and tolerating minor environmental errors in low-resolution structures. A loop modeling method based on global optimization of this new energy function is tested on loop targets situated in different levels of environmental errors, ranging from experimental structures to structures perturbed in backbone as well as side chains and template-based model structures. The new method performs comparably to force field-based approaches in loop reconstruction in crystal structures and better in loop prediction in inaccurate framework structures. This result suggests that higher-accuracy predictions would be possible for a broader range of applications. The web server for this method is available at http://galaxy.seoklab.org/loop with the PS2 option for the scoring function.

Noise in NC-AFM measurements with significant tip–sample interaction

PubMed Central

Lübbe, Jannis; Temmen, Matthias

2016-01-01

The frequency shift noise in non-contact atomic force microscopy (NC-AFM) imaging and spectroscopy consists of thermal noise and detection system noise with an additional contribution from amplitude noise if there are significant tip–sample interactions. The total noise power spectral density D Δ f(f m) is, however, not just the sum of these noise contributions. Instead its magnitude and spectral characteristics are determined by the strongly non-linear tip–sample interaction, by the coupling between the amplitude and tip–sample distance control loops of the NC-AFM system as well as by the characteristics of the phase locked loop (PLL) detector used for frequency demodulation. Here, we measure D Δ f(f m) for various NC-AFM parameter settings representing realistic measurement conditions and compare experimental data to simulations based on a model of the NC-AFM system that includes the tip–sample interaction. The good agreement between predicted and measured noise spectra confirms that the model covers the relevant noise contributions and interactions. Results yield a general understanding of noise generation and propagation in the NC-AFM and provide a quantitative prediction of noise for given experimental parameters. We derive strategies for noise-optimised imaging and spectroscopy and outline a full optimisation procedure for the instrumentation and control loops. PMID:28144538

A method for closed-loop presentation of sensory stimuli conditional on the internal brain-state of awake animals

PubMed Central

Rutishauser, Ueli; Kotowicz, Andreas; Laurent, Gilles

2013-01-01

Brain activity often consists of interactions between internal—or on-going—and external—or sensory—activity streams, resulting in complex, distributed patterns of neural activity. Investigation of such interactions could benefit from closed-loop experimental protocols in which one stream can be controlled depending on the state of the other. We describe here methods to present rapid and precisely timed visual stimuli to awake animals, conditional on features of the animal’s on-going brain state; those features are the presence, power and phase of oscillations in local field potentials (LFP). The system can process up to 64 channels in real time. We quantified its performance using simulations, synthetic data and animal experiments (chronic recordings in the dorsal cortex of awake turtles). The delay from detection of an oscillation to the onset of a visual stimulus on an LCD screen was 47.5 ms and visual-stimulus onset could be locked to the phase of ongoing oscillations at any frequency ≤40 Hz. Our software’s architecture is flexible, allowing on-the-fly modifications by experimenters and the addition of new closed-loop control and analysis components through plugins. The source code of our system “StimOMatic” is available freely as open-source. PMID:23473800

Design and hardware-in-loop implementation of collision avoidance algorithms for heavy commercial road vehicles

NASA Astrophysics Data System (ADS)

Rajaram, Vignesh; Subramanian, Shankar C.

2016-07-01

An important aspect from the perspective of operational safety of heavy road vehicles is the detection and avoidance of collisions, particularly at high speeds. The development of a collision avoidance system is the overall focus of the research presented in this paper. The collision avoidance algorithm was developed using a sliding mode controller (SMC) and compared to one developed using linear full state feedback in terms of performance and controller effort. Important dynamic characteristics such as load transfer during braking, tyre-road interaction, dynamic brake force distribution and pneumatic brake system response were considered. The effect of aerodynamic drag on the controller performance was also studied. The developed control algorithms have been implemented on a Hardware-in-Loop experimental set-up equipped with the vehicle dynamic simulation software, IPG/TruckMaker®. The evaluation has been performed for realistic traffic scenarios with different loading and road conditions. The Hardware-in-Loop experimental results showed that the SMC and full state feedback controller were able to prevent the collision. However, when the discrepancies in the form of parametric variations were included, the SMC provided better results in terms of reduced stopping distance and lower controller effort compared to the full state feedback controller.

Noise in NC-AFM measurements with significant tip-sample interaction.

PubMed

Lübbe, Jannis; Temmen, Matthias; Rahe, Philipp; Reichling, Michael

2016-01-01

The frequency shift noise in non-contact atomic force microscopy (NC-AFM) imaging and spectroscopy consists of thermal noise and detection system noise with an additional contribution from amplitude noise if there are significant tip-sample interactions. The total noise power spectral density D Δ f ( f m ) is, however, not just the sum of these noise contributions. Instead its magnitude and spectral characteristics are determined by the strongly non-linear tip-sample interaction, by the coupling between the amplitude and tip-sample distance control loops of the NC-AFM system as well as by the characteristics of the phase locked loop (PLL) detector used for frequency demodulation. Here, we measure D Δ f ( f m ) for various NC-AFM parameter settings representing realistic measurement conditions and compare experimental data to simulations based on a model of the NC-AFM system that includes the tip-sample interaction. The good agreement between predicted and measured noise spectra confirms that the model covers the relevant noise contributions and interactions. Results yield a general understanding of noise generation and propagation in the NC-AFM and provide a quantitative prediction of noise for given experimental parameters. We derive strategies for noise-optimised imaging and spectroscopy and outline a full optimisation procedure for the instrumentation and control loops.

Simulating Coronal Loop Implosion and Compressible Wave Modes in a Flare Hit Active Region

NASA Astrophysics Data System (ADS)

Sarkar, Aveek; Vaidya, Bhargav; Hazra, Soumitra; Bhattacharyya, Jishnu

2017-12-01

There is considerable observational evidence of implosion of magnetic loop systems inside solar coronal active regions following high-energy events like solar flares. In this work, we propose that such collapse can be modeled in three dimensions quite accurately within the framework of ideal magnetohydrodynamics. We furthermore argue that the dynamics of loop implosion is only sensitive to the transmitted disturbance of one or more of the system variables, e.g., velocity generated at the event site. This indicates that to understand loop implosion, it is sensible to leave the event site out of the simulated active region. Toward our goal, a velocity pulse is introduced to model the transmitted disturbance generated at the event site. Magnetic field lines inside our simulated active region are traced in real time, and it is demonstrated that the subsequent dynamics of the simulated loops closely resemble observed imploding loops. Our work highlights the role of plasma β in regards to the rigidity of the loop systems and how that might affect the imploding loops’ dynamics. Compressible magnetohydrodynamic modes such as kink and sausage are also shown to be generated during such processes, in accordance with observations.

Kinetics of interior loop formation in semiflexible chains.

PubMed

Hyeon, Changbong; Thirumalai, D

2006-03-14

Loop formation between monomers in the interior of semiflexible chains describes elementary events in biomolecular folding and DNA bending. We calculate analytically the interior distance distribution function for semiflexible chains using a mean field approach. Using the potential of mean force derived from the distance distribution function we present a simple expression for the kinetics of interior looping by adopting Kramers theory. For the parameters, that are appropriate for DNA, the theoretical predictions in comparison with the case are in excellent agreement with explicit Brownian dynamics simulations of wormlike chain (WLC) model. The interior looping times (tauIC) can be greatly altered in the cases when the stiffness of the loop differs from that of the dangling ends. If the dangling end is stiffer than the loop then tauIC increases for the case of the WLC with uniform persistence length. In contrast, attachment of flexible dangling ends enhances rate of interior loop formation. The theory also shows that if the monomers are charged and interact via screened Coulomb potential then both the cyclization (tauc) and interior looping (tauIC) times greatly increase at low ionic concentration. Because both tauc and tauIC are determined essentially by the effective persistence length [lp(R)] we computed lp(R) by varying the range of the repulsive interaction between the monomers. For short range interactions lp(R) nearly coincides with the bare persistence length which is determined largely by the backbone chain connectivity. This finding rationalizes the efficacy of describing a number of experimental observations (response of biopolymers to force and cyclization kinetics) in biomolecules using WLC model with an effective persistence length.

Impact of resistance mutations on inhibitor binding to HIV-1 integrase

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

Chen, Qi; Buolamwini, John K.; Smith, Jeremy C.

2013-11-08

Here, HIV-1 integrase (IN) is essential for HIV-1 replication, catalyzing two key reaction steps termed 3' processing and strand transfer. Therefore, IN has become an important target for antiviral drug discovery. However, mutants have emerged, such as E92Q/N155H and G140S/Q148H, which confer resistance to raltegravir (RAL), the first IN strand transfer inhibitor (INSTI) approved by the FDA, and to the recently approved elvitegravir (EVG). To gain insights into the molecular mechanisms of ligand binding and drug resistance, we performed molecular dynamics (MD) simulations of homology models of the HIV-1 IN and four relevant mutants complexed with viral DNA and RAL.more » The results show that the structure and dynamics of the 140s loop, comprising residues 140 to 149, are strongly influenced by the IN mutations. In the simulation of the G140S/Q148H double mutant, we observe spontaneous dissociation of RAL from the active site, followed by an intrahelical swing-back of the 3' -OH group of nucleotide A17, consistent with the experimental observation that the G140S/Q148H mutant exhibits the highest resistance to RAL compared to other IN mutants. An important hydrogen bond between residues 145 and 148 is present in the wild-type IN but not in the G140S/Q148H mutant, accounting for the structural and dynamical differences of the 140s' loop and ultimately impairing RAL binding in the double mutant. End-point free energy calculations that broadly capture the experimentally known RAL binding profiles elucidate the contributions of the 140s' loop to RAL binding free energies and suggest possible approaches to overcoming drug resistance.« less

Intraoperative stroke volume optimization using stroke volume, arterial pressure, and heart rate: closed-loop (learning intravenous resuscitator) versus anesthesiologists.

PubMed

Rinehart, Joseph; Chung, Elena; Canales, Cecilia; Cannesson, Maxime

2012-10-01

The authors compared the performance of a group of anesthesia providers to closed-loop (Learning Intravenous Resuscitator [LIR]) management in a simulated hemorrhage scenario using cardiac output monitoring. A prospective cohort study. In silico simulation. University hospital anesthesiologists and the LIR closed-loop fluid administration system. Using a patient simulator, a 90-minute simulated hemorrhage protocol was run, which included a 1,200-mL blood loss over 30 minutes. Twenty practicing anesthesiology providers were asked to manage this scenario by providing fluids and vasopressor medication at their discretion. The simulation program was also run 20 times with the LIR closed-loop algorithm managing fluids and an additional 20 times with no intervention. Simulated patient weight, height, heart rate, mean arterial pressure, and cardiac output (CO) were similar at baseline. The mean stroke volume, the mean arterial pressure, CO, and the final CO were higher in the closed-loop group than in the practitioners group, and the coefficient of variance was lower. The closed-loop group received slightly more fluid (2.1 v 1.9 L, p < 0.05) than the anesthesiologist group. Despite the roughly similar volumes of fluid given, the closed-loop maintained more stable hemodynamics than the practitioners primarily because the fluid was given earlier in the protocol and CO optimized before the hemorrhage began, whereas practitioners tended to resuscitate well but only after significant hemodynamic change indicated the need. Overall, these data support the potential usefulness of this closed-loop algorithm in clinical settings in which dynamic predictors are not available or applicable. Published by Elsevier Inc.

A platform for dynamic simulation and control of movement based on OpenSim and MATLAB.

PubMed

Mansouri, Misagh; Reinbolt, Jeffrey A

2012-05-11

Numerical simulations play an important role in solving complex engineering problems and have the potential to revolutionize medical decision making and treatment strategies. In this paper, we combine the rapid model-based design, control systems and powerful numerical method strengths of MATLAB/Simulink with the simulation and human movement dynamics strengths of OpenSim by developing a new interface between the two software tools. OpenSim is integrated with Simulink using the MATLAB S-function mechanism, and the interface is demonstrated using both open-loop and closed-loop control systems. While the open-loop system uses MATLAB/Simulink to separately reproduce the OpenSim Forward Dynamics Tool, the closed-loop system adds the unique feature of feedback control to OpenSim, which is necessary for most human movement simulations. An arm model example was successfully used in both open-loop and closed-loop cases. For the open-loop case, the simulation reproduced results from the OpenSim Forward Dynamics Tool with root mean square (RMS) differences of 0.03° for the shoulder elevation angle and 0.06° for the elbow flexion angle. MATLAB's variable step-size integrator reduced the time required to generate the forward dynamic simulation from 7.1s (OpenSim) to 2.9s (MATLAB). For the closed-loop case, a proportional-integral-derivative controller was used to successfully balance a pole on model's hand despite random force disturbances on the pole. The new interface presented here not only integrates the OpenSim and MATLAB/Simulink software tools, but also will allow neuroscientists, physiologists, biomechanists, and physical therapists to adapt and generate new solutions as treatments for musculoskeletal conditions. Copyright © 2012 Elsevier Ltd. All rights reserved.

A platform for dynamic simulation and control of movement based on OpenSim and MATLAB

PubMed Central

Mansouri, Misagh; Reinbolt, Jeffrey A.

2013-01-01

Numerical simulations play an important role in solving complex engineering problems and have the potential to revolutionize medical decision making and treatment strategies. In this paper, we combine the rapid model-based design, control systems and powerful numerical method strengths of MATLAB/Simulink with the simulation and human movement dynamics strengths of OpenSim by developing a new interface between the two software tools. OpenSim is integrated with Simulink using the MATLAB S-function mechanism, and the interface is demonstrated using both open-loop and closed-loop control systems. While the open-loop system uses MATLAB/Simulink to separately reproduce the OpenSim Forward Dynamics Tool, the closed-loop system adds the unique feature of feedback control to OpenSim, which is necessary for most human movement simulations. An arm model example was successfully used in both open-loop and closed-loop cases. For the open-loop case, the simulation reproduced results from the OpenSim Forward Dynamics Tool with root mean square (RMS) differences of 0.03° for the shoulder elevation angle and 0.06° for the elbow flexion angle. MATLAB’s variable step-size integrator reduced the time required to generate the forward dynamic simulation from 7.1 s (OpenSim) to 2.9 s (MATLAB). For the closed-loop case, a proportional–integral–derivative controller was used to successfully balance a pole on model’s hand despite random force disturbances on the pole. The new interface presented here not only integrates the OpenSim and MATLAB/Simulink software tools, but also will allow neuroscientists, physiologists, biomechanists, and physical therapists to adapt and generate new solutions as treatments for musculoskeletal conditions. PMID:22464351

Closing loop base pairs in RNA loop-loop complexes: structural behavior, interaction energy and solvation analysis through molecular dynamics simulations.

PubMed

Golebiowski, Jérôme; Antonczak, Serge; Fernandez-Carmona, Juan; Condom, Roger; Cabrol-Bass, Daniel

2004-12-01

Nanosecond molecular dynamics using the Ewald summation method have been performed to elucidate the structural and energetic role of the closing base pair in loop-loop RNA duplexes neutralized by Mg2+ counterions in aqueous phases. Mismatches GA, CU and Watson-Crick GC base pairs have been considered for closing the loop of an RNA in complementary interaction with HIV-1 TAR. The simulations reveal that the mismatch GA base, mediated by a water molecule, leads to a complex that presents the best compromise between flexibility and energetic contributions. The mismatch CU base pair, in spite of the presence of an inserted water molecule, is too short to achieve a tight interaction at the closing-loop junction and seems to force TAR to reorganize upon binding. An energetic analysis has allowed us to quantify the strength of the interactions of the closing and the loop-loop pairs throughout the simulations. Although the water-mediated GA closing base pair presents an interaction energy similar to that found on fully geometry-optimized structure, the water-mediated CU closing base pair energy interaction reaches less than half the optimal value.

An Environment for Hardware-in-the-Loop Formation Navigation and Control Simulation

NASA Technical Reports Server (NTRS)

Burns, Rich

2004-01-01

Recent interest in formation flying satellite systems has spurred a considerable amount of research in the relative navigation and control of satellites. Development in this area has included new estimation and control algorithms as well as sensor and actuator development specifically geared toward the relative control problem. This paper describes a simulation facility, the Formation Flying Testbed (FFTB) at NASA's Goddard Space Flight Center, which allows engineers to test new algorithms for the formation flying problem with relevant GN&C hardware in a closed loop simulation. The FFTB currently supports the injection of GPS receiver hardware into the simulation loop, and support for satellite crosslink ranging technology is at a prototype stage. This closed-loop, hardware inclusive simulation capability permits testing of navigation and control software in the presence of the actual hardware with which the algorithms must interact. This capability provides the navigation or control developer with a perspective on how the algorithms perform as part of the closed-loop system. In this paper, the overall design and evolution of the FFTB are presented. Each component of the FFTB is then described in detail. Interfaces between the components of the FFTB are shown and the interfaces to and between navigation and control software are described in detail. Finally, an example of closed-loop formation control with GPS receivers in the loop is presented and results are analyzed.

Current Sensor Fault Diagnosis Based on a Sliding Mode Observer for PMSM Driven Systems

PubMed Central

Huang, Gang; Luo, Yi-Ping; Zhang, Chang-Fan; Huang, Yi-Shan; Zhao, Kai-Hui

2015-01-01

This paper proposes a current sensor fault detection method based on a sliding mode observer for the torque closed-loop control system of interior permanent magnet synchronous motors. First, a sliding mode observer based on the extended flux linkage is built to simplify the motor model, which effectively eliminates the phenomenon of salient poles and the dependence on the direct axis inductance parameter, and can also be used for real-time calculation of feedback torque. Then a sliding mode current observer is constructed in αβ coordinates to generate the fault residuals of the phase current sensors. The method can accurately identify abrupt gain faults and slow-variation offset faults in real time in faulty sensors, and the generated residuals of the designed fault detection system are not affected by the unknown input, the structure of the observer, and the theoretical derivation and the stability proof process are concise and simple. The RT-LAB real-time simulation is used to build a simulation model of the hardware in the loop. The simulation and experimental results demonstrate the feasibility and effectiveness of the proposed method. PMID:25970258

Internal model control for industrial wireless plant using WirelessHART hardware-in-the-loop simulator.

PubMed

Tran, Chung Duc; Ibrahim, Rosdiazli; Asirvadam, Vijanth Sagayan; Saad, Nordin; Sabo Miya, Hassan

2018-04-01

The emergence of wireless technologies such as WirelessHART and ISA100 Wireless for deployment at industrial process plants has urged the need for research and development in wireless control. This is in view of the fact that the recent application is mainly in monitoring domain due to lack of confidence in control aspect. WirelessHART has an edge over its counterpart as it is based on the successful Wired HART protocol with over 30 million devices as of 2009. Recent works on control have primarily focused on maintaining the traditional PID control structure which is proven not adequate for the wireless environment. In contrast, Internal Model Control (IMC), a promising technique for delay compensation, disturbance rejection and setpoint tracking has not been investigated in the context of WirelessHART. Therefore, this paper discusses the control design using IMC approach with a focus on wireless processes. The simulation and experimental results using real-time WirelessHART hardware-in-the-loop simulator (WH-HILS) indicate that the proposed approach is more robust to delay variation of the network than the PID. Copyright © 2017. Published by Elsevier Ltd.

Calculations of a wideband metamaterial absorber using equivalent medium theory

NASA Astrophysics Data System (ADS)

Huang, Xiaojun; Yang, Helin; Wang, Danqi; Yu, Shengqing; Lou, Yanchao; Guo, Ling

2016-08-01

Metamaterial absorbers (MMAs) have drawn increasing attention in many areas due to the fact that they can achieve electromagnetic (EM) waves with unity absorptivity. We demonstrate the design, simulation, experiment and calculation of a wideband MMA based on a loaded double-square-loop (DSL) array of chip resisters. For a normal incidence EM wave, the simulated results show that the absorption of the full width at half maximum is about 9.1 GHz, and the relative bandwidth is 87.1%. Experimental results are in agreement with the simulations. More importantly, equivalent medium theory (EMT) is utilized to calculate the absorptions of the DSL MMA, and the calculated absorptions based on EMT agree with the simulated and measured results. The method based on EMT provides a new way to analysis the mechanism of MMAs.

Identification of optimal feedback control rules from micro-quadrotor and insect flight trajectories.

PubMed

Faruque, Imraan A; Muijres, Florian T; Macfarlane, Kenneth M; Kehlenbeck, Andrew; Humbert, J Sean

2018-06-01

This paper presents "optimal identification," a framework for using experimental data to identify the optimality conditions associated with the feedback control law implemented in the measurements. The technique compares closed loop trajectory measurements against a reduced order model of the open loop dynamics, and uses linear matrix inequalities to solve an inverse optimal control problem as a convex optimization that estimates the controller optimality conditions. In this study, the optimal identification technique is applied to two examples, that of a millimeter-scale micro-quadrotor with an engineered controller on board, and the example of a population of freely flying Drosophila hydei maneuvering about forward flight. The micro-quadrotor results show that the performance indices used to design an optimal flight control law for a micro-quadrotor may be recovered from the closed loop simulated flight trajectories, and the Drosophila results indicate that the combined effect of the insect longitudinal flight control sensing and feedback acts principally to regulate pitch rate.

Experimental Validation of L1 Adaptive Control: Rohrs' Counterexample in Flight

NASA Technical Reports Server (NTRS)

Xargay, Enric; Hovakimyan, Naira; Dobrokhodov, Vladimir; Kaminer, Issac; Kitsios, Ioannis; Cao, Chengyu; Gregory, Irene M.; Valavani, Lena

2010-01-01

The paper presents new results on the verification and in-flight validation of an L1 adaptive flight control system, and proposes a general methodology for verification and validation of adaptive flight control algorithms. The proposed framework is based on Rohrs counterexample, a benchmark problem presented in the early 80s to show the limitations of adaptive controllers developed at that time. In this paper, the framework is used to evaluate the performance and robustness characteristics of an L1 adaptive control augmentation loop implemented onboard a small unmanned aerial vehicle. Hardware-in-the-loop simulations and flight test results confirm the ability of the L1 adaptive controller to maintain stability and predictable performance of the closed loop adaptive system in the presence of general (artificially injected) unmodeled dynamics. The results demonstrate the advantages of L1 adaptive control as a verifiable robust adaptive control architecture with the potential of reducing flight control design costs and facilitating the transition of adaptive control into advanced flight control systems.

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

Imani, Mohammadreza F., E-mail: mohamad.imani@gmail.com; Grbic, Anthony

One of the obstacles preventing wireless power transfer from becoming ubiquitous is their leakage of power: high-amplitude electromagnetic fields that can interfere with other electronic devices, increase health concerns, or hinder power metering. In this paper, we present near-field plates (NFPs) as a novel method to tailor the electromagnetic fields generated by a wireless power transfer system while maintaining high efficiency. NFPs are modulated arrays or surfaces designed to form prescribed near-field patterns. The NFP proposed in this paper consists of an array of loaded loops that are designed to confine the electromagnetic fields of a resonant transmitting loop tomore » the desired direction (receiving loop) while suppressing fields in other directions. The step-by-step design procedure for this device is outlined. Two NFPs are designed and examined in full-wave simulation. Their performance is shown to be in close agreement with the design predictions, thereby verifying the proposed design and operation. A NFP is also fabricated and experimentally shown to form a unidirectional wireless power transfer link with high efficiency.« less

Comparison of three-dimensional orthodontic load systems of different commercial archwires for space closure.

PubMed

Gajda, Steven; Chen, Jie

2012-03-01

To experimentally quantify the effects of the loop design on three-dimensional orthodontic load systems of two types of commercial closing loop archwires: Teardrop and Keyhole. An orthodontic force tester and custom-made dentoform were used to measure the load systems produced on two teeth during simulated space closure. The system included three force components along and three moment components about three clinically defined axes on two target teeth: the left maxillary canine and the lateral incisor. The archwires were attached to the dentoform and were activated following a standard clinical procedure. The resulting six load components produced by the two archwires were reported and compared. The results were also compared with those of the T-loop archwire published previously. The three designs deliver similar loading patterns; however, the component magnitudes are dependent on the design. All of the designs result in lingual tipping of the teeth, canine lingual-mesial displacement, canine crown-mesial-in rotation, and incisor crown-distal-in rotation.

Phase transitions between lower and higher level management learning in times of crisis: an experimental study based on synergetics.

PubMed

Liening, Andreas; Strunk, Guido; Mittelstadt, Ewald

2013-10-01

Much has been written about the differences between single- and double-loop learning, or more general between lower level and higher level learning. Especially in times of a fundamental crisis, a transition between lower and higher level learning would be an appropriate reaction to a challenge coming entirely out of the dark. However, so far there is no quantitative method to monitor such a transition. Therefore we introduce theory and methods of synergetics and present results from an experimental study based on the simulation of a crisis within a business simulation game. Hypothesized critical fluctuations - as a marker for so-called phase transitions - have been assessed with permutation entropy. Results show evidence for a phase transition during the crisis, which can be interpreted as a transition between lower and higher level learning.

Multiscale Computer Simulation of Tensile and Compressive Strain in Polymer- Coated Silica Aerogels

NASA Technical Reports Server (NTRS)

Good, Brian

2009-01-01

While the low thermal conductivities of silica aerogels have made them of interest to the aerospace community as lightweight thermal insulation, the application of conformal polymer coatings to these gels increases their strength significantly, making them potentially useful as structural materials as well. In this work we perform multiscale computer simulations to investigate the tensile and compressive strain behavior of silica and polymer-coated silica aerogels. Aerogels are made up of clusters of interconnected particles of amorphous silica of less than bulk density. We simulate gel nanostructure using a Diffusion Limited Cluster Aggregation (DLCA) procedure, which produces aggregates that exhibit fractal dimensions similar to those observed in real aerogels. We have previously found that model gels obtained via DLCA exhibited stress-strain curves characteristic of the experimentally observed brittle failure. However, the strain energetics near the expected point of failure were not consistent with such failure. This shortcoming may be due to the fact that the DLCA process produces model gels that are lacking in closed-loop substructures, compared with real gels. Our model gels therefore contain an excess of dangling strands, which tend to unravel under tensile strain, producing non-brittle failure. To address this problem, we have incorporated a modification to the DLCA algorithm that specifically produces closed loops in the model gels. We obtain the strain energetics of interparticle connections via atomistic molecular statics, and abstract the collective energy of the atomic bonds into a Morse potential scaled to describe gel particle interactions. Polymer coatings are similarly described. We apply repeated small uniaxial strains to DLCA clusters, and allow relaxation of the center eighty percent of the cluster between strains. The simulations produce energetics and stress-strain curves for looped and nonlooped clusters, for a variety of densities and interaction parameters.

A Methodology for Evaluating the Fidelity of Ground-Based Flight Simulators

NASA Technical Reports Server (NTRS)

Zeyada, Y.; Hess, R. A.

1999-01-01

An analytical and experimental investigation was undertaken to model the manner in which pilots perceive and utilize visual, proprioceptive, and vestibular cues in a ground-based flight simulator. The study was part of a larger research effort which has the creation of a methodology for determining flight simulator fidelity requirements as its ultimate goal. The study utilized a closed-loop feedback structure of the pilot/simulator system which included the pilot, the cockpit inceptor, the dynamics of the simulated vehicle and the motion system. With the exception of time delays which accrued in visual scene production in the simulator, visual scene effects were not included in this study. The NASA Ames Vertical Motion Simulator was used in a simple, single-degree of freedom rotorcraft bob-up/down maneuver. Pilot/vehicle analysis and fuzzy-inference identification were employed to study the changes in fidelity which occurred as the characteristics of the motion system were varied over five configurations i The data from three of the five pilots that participated in the experimental study were analyzed in the fuzzy inference identification. Results indicate that both the analytical pilot/vehicle analysis and the fuzzyinference identification can be used to reflect changes in simulator fidelity for the task examined.

A Methodology for Evaluating the Fidelity of Ground-Based Flight Simulators

NASA Technical Reports Server (NTRS)

Zeyada, Y.; Hess, R. A.

1999-01-01

An analytical and experimental investigation was undertaken to model the manner in which pilots perceive and utilize visual, proprioceptive, and vestibular cues in a ground-based flight simulator. The study was part of a larger research effort which has the creation of a methodology for determining flight simulator fidelity requirements as its ultimate goal. The study utilized a closed-loop feedback structure of the pilot/simulator system which included the pilot, the cockpit inceptor, the dynamics of the simulated vehicle and the motion system. With the exception of time delays which accrued in visual scene production in the simulator, visual scene effects were not included in this study. The NASA Ames Vertical Motion Simulator was used in a simple, single-degree of freedom rotorcraft bob-up/down maneuver. Pilot/vehicle analysis and fuzzy-inference identification were employed to study the changes in fidelity which occurred as the characteristics of the motion system were varied over five configurations. The data from three of the five pilots that participated in the experimental study were analyzed in the fuzzy-inference identification. Results indicate that both the analytical pilot/vehicle analysis and the fuzzy-inference identification can be used to reflect changes in simulator fidelity for the task examined.

Development and prototype testing of MgCl 2 /graphite foam latent heat thermal energy storage system

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

Singh, Dileep; Yu, Wenhua; Zhao, Weihuan

Composites of graphite foam infiltrated with a magnesium chloride phase-change material have been developed as high-temperature thermal energy storage media for concentrated solar power applications. This storage medium provides a high thermal energy storage density, a narrow operating temperature range, and excellent heat transfer characteristics. In this study, experimental investigations were conducted on laboratory-scale prototypes with magnesium chloride/graphite foam composite as the latent heat thermal energy storage system. Prototypes were designed and built to monitor the melt front movement during the charging/discharging tests. A test loop was built to ensure the charging/discharging of the prototypes at temperatures > 700 degreesmore » C. Repeated thermal cycling experiments were carried out on the fabricated prototypes, and the experimental temperature profiles were compared to the predicted results from numerical simulations using COMSOL Multiphysics software. Experimental results were found to be in good agreement with the simulations to validate the thermal models.« less

Flow field prediction in full-scale Carrousel oxidation ditch by using computational fluid dynamics.

PubMed

Yang, Yin; Wu, Yingying; Yang, Xiao; Zhang, Kai; Yang, Jiakuan

2010-01-01

In order to optimize the flow field in a full-scale Carrousel oxidation ditch with many sets of disc aerators operating simultaneously, an experimentally validated numerical tool, based on computational fluid dynamics (CFD), was proposed. A full-scale, closed-loop bioreactor (Carrousel oxidation ditch) in Ping Dingshan Sewage Treatment Plant in Ping Dingshan City, a medium-sized city in Henan Province of China, was evaluated using CFD. Moving wall model was created to simulate many sets of disc aerators which created fluid motion in the ditch. The simulated results were acceptable compared with the experimental data and the following results were obtained: (1) a new method called moving wall model could simulate the flow field in Carrousel oxidation ditch with many sets of disc aerators operating simultaneously. The whole number of cells of grids decreased significantly, thus the calculation amount decreased, and (2) CFD modeling generally characterized the flow pattern in the full-scale tank. 3D simulation could be a good supplement for improving the hydrodynamic performance in oxidation ditch designs.

Plasticity of 150-loop in influenza neuraminidase explored by Hamiltonian replica exchange molecular dynamics simulations.

PubMed

Han, Nanyu; Mu, Yuguang

2013-01-01

Neuraminidase (NA) of influenza is a key target for antiviral inhibitors, and the 150-cavity in group-1 NA provides new insight in treating this disease. However, NA of 2009 pandemic influenza (09N1) was found lacking this cavity in a crystal structure. To address the issue of flexibility of the 150-loop, Hamiltonian replica exchange molecular dynamics simulations were performed on different groups of NAs. Free energy landscape calculated based on the volume of 150-cavity indicates that 09N1 prefers open forms of 150-loop. The turn A (residues 147-150) of the 150-loop is discovered as the most dynamical motif which induces the inter-conversion of this loop among different conformations. In the turn A, the backbone dynamic of residue 149 is highly related with the shape of 150-loop, thus can function as a marker for the conformation of 150-loop. As a contrast, the closed conformation of 150-loop is more energetically favorable in N2, one of group-2 NAs. The D147-H150 salt bridge is found having no correlation with the conformation of 150-loop. Instead the intimate salt bridge interaction between the 150 and 430 loops in N2 variant contributes the stabilizing factor for the closed form of 150-loop. The clustering analysis elaborates the structural plasticity of the loop. This enhanced sampling simulation provides more information in further structural-based drug discovery on influenza virus.

Plasticity of 150-Loop in Influenza Neuraminidase Explored by Hamiltonian Replica Exchange Molecular Dynamics Simulations

PubMed Central

Han, Nanyu; Mu, Yuguang

2013-01-01

Neuraminidase (NA) of influenza is a key target for antiviral inhibitors, and the 150-cavity in group-1 NA provides new insight in treating this disease. However, NA of 2009 pandemic influenza (09N1) was found lacking this cavity in a crystal structure. To address the issue of flexibility of the 150-loop, Hamiltonian replica exchange molecular dynamics simulations were performed on different groups of NAs. Free energy landscape calculated based on the volume of 150-cavity indicates that 09N1 prefers open forms of 150-loop. The turn A (residues 147–150) of the 150-loop is discovered as the most dynamical motif which induces the inter-conversion of this loop among different conformations. In the turn A, the backbone dynamic of residue 149 is highly related with the shape of 150-loop, thus can function as a marker for the conformation of 150-loop. As a contrast, the closed conformation of 150-loop is more energetically favorable in N2, one of group-2 NAs. The D147-H150 salt bridge is found having no correlation with the conformation of 150-loop. Instead the intimate salt bridge interaction between the 150 and 430 loops in N2 variant contributes the stabilizing factor for the closed form of 150-loop. The clustering analysis elaborates the structural plasticity of the loop. This enhanced sampling simulation provides more information in further structural-based drug discovery on influenza virus. PMID:23593372

A comparative approach to closed-loop computation.

PubMed

Roth, E; Sponberg, S; Cowan, N J

2014-04-01

Neural computation is inescapably closed-loop: the nervous system processes sensory signals to shape motor output, and motor output consequently shapes sensory input. Technological advances have enabled neuroscientists to close, open, and alter feedback loops in a wide range of experimental preparations. The experimental capability of manipulating the topology-that is, how information can flow between subsystems-provides new opportunities to understand the mechanisms and computations underlying behavior. These experiments encompass a spectrum of approaches from fully open-loop, restrained preparations to the fully closed-loop character of free behavior. Control theory and system identification provide a clear computational framework for relating these experimental approaches. We describe recent progress and new directions for translating experiments at one level in this spectrum to predictions at another level. Operating across this spectrum can reveal new understanding of how low-level neural mechanisms relate to high-level function during closed-loop behavior. Copyright © 2013 Elsevier Ltd. All rights reserved.

Kinks, loops, and protein folding, with protein A as an example

PubMed Central

Krokhotin, Andrey; Liwo, Adam; Maisuradze, Gia G.; Niemi, Antti J.; Scheraga, Harold A.

2014-01-01

The dynamics and energetics of formation of loops in the 46-residue N-terminal fragment of the B-domain of staphylococcal protein A has been studied. Numerical simulations have been performed using coarse-grained molecular dynamics with the united-residue (UNRES) force field. The results have been analyzed in terms of a kink (heteroclinic standing wave solution) of a generalized discrete nonlinear Schrödinger (DNLS) equation. In the case of proteins, the DNLS equation arises from a Cα-trace-based energy function. Three individual kink profiles were identified in the experimental three-α-helix structure of protein A, in the range of the Glu16-Asn29, Leu20-Asn29, and Gln33-Asn44 residues, respectively; these correspond to two loops in the native structure. UNRES simulations were started from the full right-handed α-helix to obtain a clear picture of kink formation, which would otherwise be blurred by helix formation. All three kinks emerged during coarse-grained simulations. It was found that the formation of each is accompanied by a local free energy increase; this is expressed as the change of UNRES energy which has the physical sense of the potential of mean force of a polypeptide chain. The increase is about 7 kcal/mol. This value can thus be considered as the free energy barrier to kink formation in full α-helical segments of polypeptide chains. During the simulations, the kinks emerge, disappear, propagate, and annihilate each other many times. It was found that the formation of a kink is initiated by an abrupt change in the orientation of a pair of consecutive side chains in the loop region. This resembles the formation of a Bloch wall along a spin chain, where the Cα backbone corresponds to the chain, and the amino acid side chains are interpreted as the spin variables. This observation suggests that nearest-neighbor side chain–side chain interactions are responsible for initiation of loop formation. It was also found that the individual kinks are reflected as clear peaks in the principal modes of the analyzed trajectory of protein A, the shapes of which resemble the directional derivatives of the kinks along the chain. These observations suggest that the kinks of the DNLS equation determine the functionally important motions of proteins. PMID:24437917

An Environmental for Hardware-in-the-Loop Formation Navigation and Control

NASA Technical Reports Server (NTRS)

Burns, Rich; Naasz, Bo; Gaylor, Dave; Higinbotham, John

2004-01-01

Recent interest in formation flying satellite systems has spurred a considerable amount of research in the relative navigation and control of satellites. Development in this area has included new estimation and control algorithms as well as sensor and actuator development specifically geared toward the relative control problem. This paper describes a simulation facility, the Formation Flying Test Bed (FFTB) at NASA Goddard Space Flight Center, which allows engineers to test new algorithms for the formation flying problem with relevant GN&C hardware in a closed loop simulation. The FFTB currently supports the inclusion of GPS receiver hardware in the simulation loop. Support for satellite crosslink ranging technology is at a prototype stage. This closed-loop, hardware inclusive simulation capability permits testing of navigation and control software in the presence of the actual hardware with which the algorithms must interact. This capability provides the navigation or control developer with a perspective on how the algorithms perform as part of the closed-loop system. In this paper, the overall design and evolution of the FFTB are presented. Each component of the FFTB is then described. Interfaces between the components of the FFTB are shown and the interfaces to and between navigation and control software are described. Finally, an example of closed-loop formation control with GPS receivers in the loop is presented.

Numerical characterization of plasma breakdown in reversed field pinches

NASA Astrophysics Data System (ADS)

Peng, Yanli; Zhang, Ya; Mao, Wenzhe; Yang, Zhoujun; Hu, Xiwei; Jiang, Wei

2018-02-01

In the reversed field pinch, there is considerable interest in investigating the plasma breakdown. Indeed, the plasma formed during the breakdown may have an influence on the confinement and maintenance in the latter process. However, up to now there has been no related work, experimentally or in simulation, regarding plasma breakdown in reversed field pinch (RFP). In order to figure out the physical mechanism behind plasma breakdown, the effects of the toroidal and error magnetic field, as well as the loop voltage have been studied. We find that the error magnetic field cannot be neglected even though it is quite small in the short plasma breakdown phase. As the toroidal magnetic field increases, the averaged electron energy is reduced after plasma breakdown is complete, which is disadvantageous for the latter process. In addition, unlike the voltage limits in the tokamak, loop voltages can be quite high because there are no requirements for superconductivity. Volt-second consumption has a small difference under different loop voltages. The breakdown delay still exists in various loop voltage cases, but it is much shorter compared to that in the tokamak case. In all, successful breakdowns are possible in the RFP under a fairly broad range of parameters.

A direct method for calculating instrument noise levels in side-by-side seismometer evaluations

USGS Publications Warehouse

Holcomb, L. Gary

1989-01-01

The subject of determining the inherent system noise levels present in modem broadband closed loop seismic sensors has been an evolving topic ever since closed loop systems became available. Closed loop systems are unique in that the system noise can not be determined via a blocked mass test as in older conventional open loop seismic sensors. Instead, most investigators have resorted to performing measurements on two or more systems operating in close proximity to one another and to analyzing the outputs of these systems with respect to one another to ascertain their relative noise levels.The analysis of side-by-side relative performance is inherently dependent on the accuracy of the mathematical modeling of the test configuration. This report presents a direct approach to extracting the system noise levels of two linear systems with a common coherent input signal. The mathematical solution to the problem is incredibly simple; however the practical application of the method encounters some difficulties. Examples of expected accuracies are presented as derived by simulating real systems performance using computer generated random noise. In addition, examples of the performance of the method when applied to real experimental test data are shown.

Adaptive Wavelet Coding Applied in a Wireless Control System.

PubMed

Gama, Felipe O S; Silveira, Luiz F Q; Salazar, Andrés O

2017-12-13

Wireless control systems can sense, control and act on the information exchanged between the wireless sensor nodes in a control loop. However, the exchanged information becomes susceptible to the degenerative effects produced by the multipath propagation. In order to minimize the destructive effects characteristic of wireless channels, several techniques have been investigated recently. Among them, wavelet coding is a good alternative for wireless communications for its robustness to the effects of multipath and its low computational complexity. This work proposes an adaptive wavelet coding whose parameters of code rate and signal constellation can vary according to the fading level and evaluates the use of this transmission system in a control loop implemented by wireless sensor nodes. The performance of the adaptive system was evaluated in terms of bit error rate (BER) versus E b / N 0 and spectral efficiency, considering a time-varying channel with flat Rayleigh fading, and in terms of processing overhead on a control system with wireless communication. The results obtained through computational simulations and experimental tests show performance gains obtained by insertion of the adaptive wavelet coding in a control loop with nodes interconnected by wireless link. These results enable the use of this technique in a wireless link control loop.

Mittelwert- und Arbeitstaktsynchrone Simulation von Dieselmotoren

NASA Astrophysics Data System (ADS)

Zahn, Sebastian

Getrieben durch die immer restriktiveren Anforderungen an das Emissions- und Verbrauchsverhalten moderner Verbrennungsmotoren steigt die Komplexität von Motormanagementsystemen mit jeder Modellgeneration an. Damit geht nicht nur eine Zunahme des Softwareumfangs von Steuergeräten sondern zugleich ein deutlicher Anstieg des Applikations-, Vermessungs- und Testaufwandes einher. Zur Effizienzsteigerung des Software- und Funktionsentwicklungsprozesses haben sich daher in der Automobilindustrie sowie in Forschungsinstituten verschiedene modell- und simulationsbasierte Methoden wie die Model-in-the-Loop (MiL) Simulation, die Software-in-the-Loop (SiL) Simulation, das Rapid Control Prototyping (RCP) sowie die Hardware-in-the-Loop (HiL) Simulation etabliert.

Key issues in the computational simulation of GPCR function: representation of loop domains

NASA Astrophysics Data System (ADS)

Mehler, E. L.; Periole, X.; Hassan, S. A.; Weinstein, H.

2002-11-01

Some key concerns raised by molecular modeling and computational simulation of functional mechanisms for membrane proteins are discussed and illustrated for members of the family of G protein coupled receptors (GPCRs). Of particular importance are issues related to the modeling and computational treatment of loop regions. These are demonstrated here with results from different levels of computational simulations applied to the structures of rhodopsin and a model of the 5-HT2A serotonin receptor, 5-HT2AR. First, comparative Molecular Dynamics (MD) simulations are reported for rhodopsin in vacuum and embedded in an explicit representation of the membrane and water environment. It is shown that in spite of a partial accounting of solvent screening effects by neutralization of charged side chains, vacuum MD simulations can lead to severe distortions of the loop structures. The primary source of the distortion appears to be formation of artifactual H-bonds, as has been repeatedly observed in vacuum simulations. To address such shortcomings, a recently proposed approach that has been developed for calculating the structure of segments that connect elements of secondary structure with known coordinates, is applied to 5-HT2AR to obtain an initial representation of the loops connecting the transmembrane (TM) helices. The approach consists of a simulated annealing combined with biased scaled collective variables Monte Carlo technique, and is applied to loops connecting the TM segments on both the extra-cellular and the cytoplasmic sides of the receptor. Although this initial calculation treats the loops as independent structural entities, the final structure exhibits a number of interloop interactions that may have functional significance. Finally, it is shown here that in the case where a given loop from two different GPCRs (here rhodopsin and 5-HT2AR) has approximately the same length and some degree of sequence identity, the fold adopted by the loops can be similar. Thus, in such special cases homology modeling might be used to obtain initial structures of these loops. Notably, however, all other loops in these two receptors appear to be very different in sequence and structure, so that their conformations can be found reliably only by ab initio, energy based methods and not by homology modeling.

Orchestrating TRANSP Simulations for Interpretative and Predictive Tokamak Modeling with OMFIT

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

Grierson, B. A.; Yuan, X.; Gorelenkova, M.

TRANSP simulations are being used in the OMFIT work- flow manager to enable a machine independent means of experimental analysis, postdictive validation, and predictive time dependent simulations on the DIII-D, NSTX, JET and C-MOD tokamaks. The procedures for preparing the input data from plasma profile diagnostics and equilibrium reconstruction, as well as processing of the time-dependent heating and current drive sources and assumptions about the neutral recycling, vary across machines, but are streamlined by using a common workflow manager. Settings for TRANSP simulation fidelity are incorporated into the OMFIT framework, contrasting between-shot analysis, power balance, and fast-particle simulations. A previouslymore » established series of data consistency metrics are computed such as comparison of experimental vs. calculated neutron rate, equilibrium stored energy vs. total stored energy from profile and fast-ion pressure, and experimental vs. computed surface loop voltage. Discrepancies between data consistency metrics can indicate errors in input quantities such as electron density profile or Zeff, or indicate anomalous fast-particle transport. Measures to assess the sensitivity of the verification metrics to input quantities are provided by OMFIT, including scans of the input profiles and standardized post-processing visualizations. For predictive simulations, TRANSP uses GLF23 or TGLF to predict core plasma profiles, with user defined boundary conditions in the outer region of the plasma. ITPA validation metrics are provided in post-processing to assess the transport model validity. By using OMFIT to orchestrate the steps for experimental data preparation, selection of operating mode, submission, post-processing and visualization, we have streamlined and standardized the usage of TRANSP.« less

Orchestrating TRANSP Simulations for Interpretative and Predictive Tokamak Modeling with OMFIT

DOE PAGES

Grierson, B. A.; Yuan, X.; Gorelenkova, M.; ...

2018-02-21

TRANSP simulations are being used in the OMFIT work- flow manager to enable a machine independent means of experimental analysis, postdictive validation, and predictive time dependent simulations on the DIII-D, NSTX, JET and C-MOD tokamaks. The procedures for preparing the input data from plasma profile diagnostics and equilibrium reconstruction, as well as processing of the time-dependent heating and current drive sources and assumptions about the neutral recycling, vary across machines, but are streamlined by using a common workflow manager. Settings for TRANSP simulation fidelity are incorporated into the OMFIT framework, contrasting between-shot analysis, power balance, and fast-particle simulations. A previouslymore » established series of data consistency metrics are computed such as comparison of experimental vs. calculated neutron rate, equilibrium stored energy vs. total stored energy from profile and fast-ion pressure, and experimental vs. computed surface loop voltage. Discrepancies between data consistency metrics can indicate errors in input quantities such as electron density profile or Zeff, or indicate anomalous fast-particle transport. Measures to assess the sensitivity of the verification metrics to input quantities are provided by OMFIT, including scans of the input profiles and standardized post-processing visualizations. For predictive simulations, TRANSP uses GLF23 or TGLF to predict core plasma profiles, with user defined boundary conditions in the outer region of the plasma. ITPA validation metrics are provided in post-processing to assess the transport model validity. By using OMFIT to orchestrate the steps for experimental data preparation, selection of operating mode, submission, post-processing and visualization, we have streamlined and standardized the usage of TRANSP.« less

The effect of visual-motion time-delays on pilot performance in a simulated pursuit tracking task

NASA Technical Reports Server (NTRS)

Miller, G. K., Jr.; Riley, D. R.

1977-01-01

An experimental study was made to determine the effect on pilot performance of time delays in the visual and motion feedback loops of a simulated pursuit tracking task. Three major interrelated factors were identified: task difficulty either in the form of airplane handling qualities or target frequency, the amount and type of motion cues, and time delay itself. In general, the greater the task difficulty, the smaller the time delay that could exist without degrading pilot performance. Conversely, the greater the motion fidelity, the greater the time delay that could be tolerated. The effect of motion was, however, pilot dependent.

A 16-channel combined loop-dipole transceiver array for 7 Tesla body MRI.

PubMed

Ertürk, M Arcan; Raaijmakers, Alexander J E; Adriany, Gregor; Uğurbil, Kâmil; Metzger, Gregory J

2017-02-01

To develop a 16-channel transceive body imaging array at 7.0 T with improved transmit, receive, and specific absorption rate (SAR) performance by combining both loop and dipole elements and using their respective and complementary near and far field characteristics. A 16-channel radiofrequency (RF) coil array consisting of eight loop-dipole blocks (16LD) was designed and constructed. Transmit and receive performance was quantitatively investigated in phantom and human model simulations, and experiments on five healthy volunteers inside the prostate. Comparisons were made with 16-channel microstrip line (16ML) and 10-channel fractionated dipole antenna (10DA) arrays. The 16LD was used to acquire anatomic and functional images of the prostate, kidneys, and heart. The 16LD provided > 14% improvements in the signal-to-noise ratio (SNR), peak B1+, B1+ transmit, and SAR efficiencies over the 16ML and 10DA in simulations inside the prostate. Experimentally, the 16LD had > 20% higher SNR and B1+ transmit efficiency compared with other arrays, and achieved up to 51.8% higher peak B1+ compared with 10DA. Combining loop and dipole elements provided a body imaging array with high channel count and density while limiting inter-element coupling. The 16LD improved both near and far-field performance compared with existing 7.0T body arrays and provided high-quality MRI of the prostate kidneys and heart. Magn Reson Med 77:884-894, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

Binding modes of phosphotriesterase-like lactonase complexed with δ-nonanoic lactone and paraoxon using molecular dynamics simulations.

PubMed

Guan, Shanshan; Zhao, Li; Jin, Hanyong; Shan, Ning; Han, Weiwei; Wang, Song; Shan, Yaming

2017-02-01

Phosphotriesterase-like lactonases (PLLs) have received much attention because of their physical and chemical properties. They may have widespread applications in various fields. For example, they show potential for quorum-sensing signaling pathways and organophosphorus (OP) detoxification in agricultural science. However, the mechanism by which PLLs hydrolyze, which involves OP compounds and lactones and a variety of distinct catalytic efficiencies, has only rarely been explored. In the present study, molecular dynamics (MD) simulations were performed to characterize and contrast the structural dynamics of DrPLL, a member of the PLL superfamily in Deinococcus radiodurans, bound to two substrates, δ-nonanoic lactone and paraoxon. It has been observed that there is a 16-fold increase in the catalytic efficiency of the two mutant strains of DrPLL (F26G/C72I) vs. the wild-type enzyme toward the hydrolysis of paraoxon, but an explanation for this behavior is currently lacking. The analysis of the molecular trajectories of DrPLL bound to δ-nonanoic lactone indicated that lactone-induced conformational changes take place in loop 8, which is near the active site. Binding to paraoxon may lead to conformational displacement of loop 1 residues, which could lead to the deformation of the active site and so trigger the entry of the paraoxon into the active site. The efficiency of the F26G/C72I mutant was increased by decreasing the displacement of loop 1 residues and increasing the flexibility of loop 8 residues. These results provide a molecular-level explanation for the experimental behavior.

Numerical Simulation of DC Coronal Heating

NASA Astrophysics Data System (ADS)

Dahlburg, Russell B.; Einaudi, G.; Taylor, Brian D.; Ugarte-Urra, Ignacio; Warren, Harry; Rappazzo, A. F.; Velli, Marco

2016-05-01

Recent research on observational signatures of turbulent heating of a coronal loop will be discussed. The evolution of the loop is is studied by means of numerical simulations of the fully compressible three-dimensional magnetohydrodynamic equations using the HYPERION code. HYPERION calculates the full energy cycle involving footpoint convection, magnetic reconnection, nonlinear thermal conduction and optically thin radiation. The footpoints of the loop magnetic field are convected by random photospheric motions. As a consequence the magnetic field in the loop is energized and develops turbulent nonlinear dynamics characterized by the continuous formation and dissipation of field-aligned current sheets: energy is deposited at small scales where heating occurs. Dissipation is non-uniformly distributed so that only a fraction of thecoronal mass and volume gets heated at any time. Temperature and density are highly structured at scales which, in the solar corona, remain observationally unresolved: the plasma of the simulated loop is multi thermal, where highly dynamical hotter and cooler plasma strands are scattered throughout the loop at sub-observational scales. Typical simulated coronal loops are 50000 km length and have axial magnetic field intensities ranging from 0.01 to 0.04 Tesla. To connect these simulations to observations the computed number densities and temperatures are used to synthesize the intensities expected in emission lines typically observed with the Extreme ultraviolet Imaging Spectrometer (EIS) on Hinode. These intensities are then employed to compute differential emission measure distributions, which are found to be very similar to those derived from observations of solar active regions.

Stem-Loop V of Varkud Satellite RNA Exhibits Characteristics of the Mg2+ Bound Structure in the Presence of Monovalent Ions

PubMed Central

2015-01-01

The Varkud Satellite RNA contains a self-cleaving ribozyme that has been shown to function independently of its surroundings. This 160 nucleotide ribozyme adopts a catalytically active tertiary structure that includes a kissing hairpin complex formed by stem-loop I and stem-loop V (SLV). The five-nucleotide 5′-rUGACU loop of the isolated SLV has been shown to adopt a Mg2+-dependent U-turn structure by solution NMR. This U-turn hairpin is examined here by molecular dynamics simulations in the presence of monovalent and divalent ions. Simulations confirm on an all-atom level the hypotheses for the role of the Mg2+ ions in stabilizing the loop, as well as the role of the solvent exposed U700 base. Additionally, these simulations suggest the Mg2+-free stem-loop adopts a wide range of structures, including energetically favorable structures similar to the Mg2+-bound loop structure. We propose this structure is a “gatekeeper” or precursor to Mg2+ binding when those ions are present. PMID:26328924

Optical fiber sensors and signal processing for intelligent structure monitoring

NASA Technical Reports Server (NTRS)

Thomas, Daniel; Cox, Dave; Lindner, D. K.; Claus, R. O.

1989-01-01

Few mode optical fibers have been shown to produce predictable interference patterns when placed under strain. The use is described of a modal domain sensor in a vibration control experiment. An optical fiber is bonded along the length of a flexible beam. Output from the modal domain sensor is used to suppress vibrations induced in the beam. A distributed effect model for the modal domain sensor is developed. This model is combined with the beam and actuator dynamics to produce a system suitable for control design. Computer simulations predict open and closed loop dynamic responses. An experimental apparatus is described and experimental results are presented.

Numerical simulations of flares on M dwarf stars. I - Hydrodynamics and coronal X-ray emission

NASA Technical Reports Server (NTRS)

Cheng, Chung-Chieh; Pallavicini, Roberto

1991-01-01

Flare-loop models are utilized to simulate the time evolution and physical characteristics of stellar X-ray flares by varying the values of flare-energy input and loop parameters. The hydrodynamic evolution is studied in terms of changes in the parameters of the mass, energy, and momentum equations within an area bounded by the chromosphere and the corona. The zone supports a magnetically confined loop for which processes are described including the expansion of heated coronal gas, chromospheric evaporation, and plasma compression at loop footpoints. The intensities, time profiles, and average coronal temperatures of X-ray flares are derived from the simulations and compared to observational evidence. Because the amount of evaporated material does not vary linearly with flare-energy input, large loops are required to produce the energy measured from stellar flares.

Land and Undersea Field Testing of Very Low Frequency RF Antennas and Loop Transceivers

DTIC Science & Technology

2017-12-01

VLF RF HARDWARE: SSC PACIFIC LOOP ANTENNAS ........................................... 4 2.3 EXPERIMENTAL CONCEPT...2.3 EXPERIMENTAL CONCEPT Figure 5 shows a drawing of a typical transmit/receive scenario. Each of the WFS units and loop antennas can both transmit...kilohertz is around 20 fT/root(Hz). One femtoTesla (fT) is equal to 10-15 Tesla. Our derived value is close to the 30 fT/root(Hz) value experimentally

Protein thermal stabilization by charged compatible solutes: Computational studies in rubredoxin from Desulfovibrio gigas.

PubMed

Micaelo, Nuno M; Victor, Bruno L; Soares, Cláudio M

2008-08-01

Molecular dynamics simulation studies of rubredoxin from Desulfovibrio gigas (RDG) were used to characterize the molecular mechanism of thermal stabilization by the compatible solute (CS) diglycerol-phospate (DGP). DGP is a negatively charged CS that accumulates under salt stress in Archaeoglobus fulgidus. Experimental results show that a 100 mM DGP solution exerts a strong protection effect in the half-life of RDG at 363 K (Lamosa et al., Appl Environ Microbiol 2000;66:1974-1979). RDG was simulated in four aqueous solutions at 300 and 363 K: pure aqueous media, 100 mM DGP, 100 mM NaCl, and 500 mM DGP. Our work shows that the 100 mM DGP solution is able to maintain the average protein structure when the temperature is increased, preventing the occurrence of large-scale deviation of a mobile loop involved in the first steps of RDG unfolding. The molecular mechanism of thermal denaturation protection by DGP seems to involve the direct interaction between the protein and the CS by hydrogen bond interactions near the mobile loop. Several clusters of DGP molecules are formed and preferentially localized at neutral electrostatic regions of the surface. The increase of DGP concentration to 500 mM did not yield better stabilization of the protein suggesting that the thermal protective role of this charged CS is achieved at low concentrations, as shown experimentally. (c) 2008 Wiley-Liss, Inc.

Early stages of the recovery stroke in myosin II studied by molecular dynamics simulations

PubMed Central

Baumketner, Andrij; Nesmelov, Yuri

2011-01-01

The recovery stroke is a key step in the functional cycle of muscle motor protein myosin, during which pre-recovery conformation of the protein is changed into the active post-recovery conformation, ready to exersice force. We study the microscopic details of this transition using molecular dynamics simulations of atomistic models in implicit and explicit solvent. In more than 2 μs of aggregate simulation time, we uncover evidence that the recovery stroke is a two-step process consisting of two stages separated by a time delay. In our simulations, we directly observe the first stage at which switch II loop closes in the presence of adenosine triphosphate at the nucleotide binding site. The resulting configuration of the nucleotide binding site is identical to that detected experimentally. Distribution of inter-residue distances measured in the force generating region of myosin is in good agreement with the experimental data. The second stage of the recovery stroke structural transition, rotation of the converter domain, was not observed in our simulations. Apparently it occurs on a longer time scale. We suggest that the two parts of the recovery stroke need to be studied using separate computational models. PMID:21922589

Initial Binding of Ions to the Interhelical Loops of Divalent Ion Transporter CorA: Replica Exchange Molecular Dynamics Simulation Study

PubMed Central

Zhang, Tong; Mu, Yuguang

2012-01-01

Crystal structures of Thermotoga maritima magnesium transporter CorA, reported in 2006, revealed its homo-pentameric constructions. However, the structure of the highly conserved extracellular interhelical loops remains unsolved, due to its high flexibility. We have explored the configurations of the loops through extensive replica exchange molecular dynamics simulations in explicit solvent model with the presence of either Co(III) Hexamine ions or Mg2+ ions. We found that there are multiple binding sites available on the interhelical loops in which the negatively charged residues, E316 and E320, are located notably close to the positively charged ions during the simulations. Our simulations resolved the distinct binding patterns of the two kinds of ions: Co(III) Hexamine ions were found to bind stronger with the loop than Mg2+ ions with binding free energy −7.3 kJ/mol lower, which is nicely consistent with the previous data. Our study provides an atomic basis description of the initial binding process of Mg2+ ions on the extracellular interhelical loops of CorA and the detailed inhibition mechanism of Co(III) Hexamine ions on CorA ions transportation. PMID:22952795

Development of a new physics-based internal coordinate mechanics force field and its application to protein loop modeling.

PubMed

Arnautova, Yelena A; Abagyan, Ruben A; Totrov, Maxim

2011-02-01

We report the development of internal coordinate mechanics force field (ICMFF), new force field parameterized using a combination of experimental data for crystals of small molecules and quantum mechanics calculations. The main features of ICMFF include: (a) parameterization for the dielectric constant relevant to the condensed state (ε = 2) instead of vacuum, (b) an improved description of hydrogen-bond interactions using duplicate sets of van der Waals parameters for heavy atom-hydrogen interactions, and (c) improved backbone covalent geometry and energetics achieved using novel backbone torsional potentials and inclusion of the bond angles at the C(α) atoms into the internal variable set. The performance of ICMFF was evaluated through loop modeling simulations for 4-13 residue loops. ICMFF was combined with a solvent-accessible surface area solvation model optimized using a large set of loop decoys. Conformational sampling was carried out using the biased probability Monte Carlo method. Average/median backbone root-mean-square deviations of the lowest energy conformations from the native structures were 0.25/0.21 Å for four residues loops, 0.84/0.46 Å for eight residue loops, and 1.16/0.73 Å for 12 residue loops. To our knowledge, these results are significantly better than or comparable with those reported to date for any loop modeling method that does not take crystal packing into account. Moreover, the accuracy of our method is on par with the best previously reported results obtained considering the crystal environment. We attribute this success to the high accuracy of the new ICM force field achieved by meticulous parameterization, to the optimized solvent model, and the efficiency of the search method. © 2010 Wiley-Liss, Inc.

Optimized Assistive Human-Robot Interaction Using Reinforcement Learning.

PubMed

Modares, Hamidreza; Ranatunga, Isura; Lewis, Frank L; Popa, Dan O

2016-03-01

An intelligent human-robot interaction (HRI) system with adjustable robot behavior is presented. The proposed HRI system assists the human operator to perform a given task with minimum workload demands and optimizes the overall human-robot system performance. Motivated by human factor studies, the presented control structure consists of two control loops. First, a robot-specific neuro-adaptive controller is designed in the inner loop to make the unknown nonlinear robot behave like a prescribed robot impedance model as perceived by a human operator. In contrast to existing neural network and adaptive impedance-based control methods, no information of the task performance or the prescribed robot impedance model parameters is required in the inner loop. Then, a task-specific outer-loop controller is designed to find the optimal parameters of the prescribed robot impedance model to adjust the robot's dynamics to the operator skills and minimize the tracking error. The outer loop includes the human operator, the robot, and the task performance details. The problem of finding the optimal parameters of the prescribed robot impedance model is transformed into a linear quadratic regulator (LQR) problem which minimizes the human effort and optimizes the closed-loop behavior of the HRI system for a given task. To obviate the requirement of the knowledge of the human model, integral reinforcement learning is used to solve the given LQR problem. Simulation results on an x - y table and a robot arm, and experimental implementation results on a PR2 robot confirm the suitability of the proposed method.

Open-Loop Pitch Table Optimization for the Maximum Dynamic Pressure Orion Abort Flight Test

NASA Technical Reports Server (NTRS)

Stillwater, Ryan A.

2009-01-01

NASA has scheduled the retirement of the space shuttle orbiter fleet at the end of 2010. The Constellation program was created to develop the next generation of human spaceflight vehicles and launch vehicles, known as Orion and Ares respectively. The Orion vehicle is a return to the capsule configuration that was used in the Mercury, Gemini, and Apollo programs. This configuration allows for the inclusion of an abort system that safely removes the capsule from the booster in the event of a failure on launch. The Flight Test Office at NASA's Dryden Flight Research Center has been tasked with the flight testing of the abort system to ensure proper functionality and safety. The abort system will be tested in various scenarios to approximate the conditions encountered during an actual Orion launch. Every abort will have a closed-loop controller with an open-loop backup that will direct the vehicle during the abort. In order to provide the best fit for the desired total angle of attack profile with the open-loop pitch table, the table is tuned using simulated abort trajectories. A pitch table optimization program was created to tune the trajectories in an automated fashion. The program development was divided into three phases. Phase 1 used only the simulated nominal run to tune the open-loop pitch table. Phase 2 used the simulated nominal and three simulated off nominal runs to tune the open-loop pitch table. Phase 3 used the simulated nominal and sixteen simulated off nominal runs to tune the open-loop pitch table. The optimization program allowed for a quicker and more accurate fit to the desired profile as well as allowing for expanded resolution of the pitch table.

MULTI-STRAND CORONAL LOOP MODEL AND FILTER-RATIO ANALYSIS

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

Bourouaine, Sofiane; Marsch, Eckart, E-mail: bourouaine@mps.mpg.d

2010-01-10

We model a coronal loop as a bundle of seven separate strands or filaments. Each of the loop strands used in this model can independently be heated (near their left footpoints) by Alfven/ion-cyclotron waves via wave-particle interactions. The Alfven waves are assumed to penetrate the strands from their footpoints, at which we consider different wave energy inputs. As a result, the loop strands can have different heating profiles, and the differential heating can lead to a varying cross-field temperature in the total coronal loop. The simulation of Transition Region and Coronal Explorer (TRACE) observations by means of this loop modelmore » implies two uniform temperatures along the loop length, one inferred from the 171:195 filter ratio and the other from the 171:284 ratio. The reproduced flat temperature profiles are consistent with those inferred from the observed extreme-ultraviolet coronal loops. According to our model, the flat temperature profile is a consequence of the coronal loop consisting of filaments, which have different temperatures but almost similar emission measures in the cross-field direction. Furthermore, when we assume certain errors in the simulated loop emissions (e.g., due to photometric uncertainties in the TRACE filters) and use the triple-filter analysis, our simulated loop conditions become consistent with those of an isothermal plasma. This implies that the use of TRACE or EUV Imaging Telescope triple filters for observation of a warm coronal loop may not help in determining whether the cross-field isothermal assumption is satisfied or not.« less

Filtering effect of SiO2 optical waveguide ring resonator applied to optoelectronic oscillator.

PubMed

Chen, Jiamin; Zheng, Yongqiu; Xue, Chenyang; Zhang, Chengfei; Chen, Yi

2018-05-14

Single-mode oscillation is crucial to the practicality of optoelectronic oscillator (OEO). Due to the limited by bandwidth and precision of radio frequency (RF) filters, it is difficult to be achieved for the OEO based on the long fiber-optic delay line. So instead of the long fiber-optic delay line, SiO 2 optical waveguide ring resonator (OWRR) with high-Q and mode selection is first presented to be applied to OEO. The OEOs based on the minimum loop and SiO 2 OWRR are constructed. The oscillation characteristics of the minimum loop OEO and the transmission characteristics of the SiO 2 OWRR are simulated by MATLAB, respectively. The filtering effect of the SiO 2 OWRR applied to the OEO is verified theoretically by comparing these simulation results. Subsequently, the contrastive experiments of the above two OEOs on oscillation modes are carried out. The oscillation mode spacing of 40.32 MHz and 2.137 GHz are obtained. These results show that the SiO 2 OWRR can function as an excellent 'filter' in the minimum loop of the OEO. Moreover, the side mode suppression ratio and the phase noise of the OEO have been improved. Our experimental results demonstrate that the OEO adopting SiO 2 OWRR is feasible to achieve the single-mode oscillation and obtain better performance microwave signals.

The description of friction of silicon MEMS with surface roughness: virtues and limitations of a stochastic Prandtl-Tomlinson model and the simulation of vibration-induced friction reduction.

PubMed

van Spengen, W Merlijn; Turq, Viviane; Frenken, Joost W M

2010-01-01

We have replaced the periodic Prandtl-Tomlinson model with an atomic-scale friction model with a random roughness term describing the surface roughness of micro-electromechanical systems (MEMS) devices with sliding surfaces. This new model is shown to exhibit the same features as previously reported experimental MEMS friction loop data. The correlation function of the surface roughness is shown to play a critical role in the modelling. It is experimentally obtained by probing the sidewall surfaces of a MEMS device flipped upright in on-chip hinges with an AFM (atomic force microscope). The addition of a modulation term to the model allows us to also simulate the effect of vibration-induced friction reduction (normal-force modulation), as a function of both vibration amplitude and frequency. The results obtained agree very well with measurement data reported previously.

Experimental and modeling study of thermal exposure of a self-contained breathing apparatus (SCBA).

PubMed

Donnelly, Michelle K; Yang, Jiann C

2015-08-01

An experimental apparatus designed to study firefighter safety equipment exposed to a thermal environment was developed. The apparatus consisted of an elevated temperature flow loop with the ability to heat the air stream up to 200°C. The thermal and flow conditions at the test section were characterized using thermocouples and bi-directional probes. The safety equipment examined in this study was a self-contained breathing apparatus (SCBA), including a facepiece and an air cylinder. The SCBA facepiece was placed on a mannequin headform and coupled to a breathing simulator that was programmed with a prescribed breathing pattern. The entire SCBA assembly was placed in the test section of the flow loop for these thermal exposure experiments. Three air stream temperatures, 100°C, 150°C, and 200°C, were used with the average air speed at the test section set at 1.4m/s and thermal exposure durations up to 1200 s. Measurements were made using type-K bare-bead thermocouples located in the mannequin's mouth and on the outer surface of the SCBA cylinder. The experimental results indicated that increasing the thermal exposure severity and duration increased the breathing air temperatures supplied by the SCBA. Temperatures of breathing air from the SCBA cylinder in excess of 60°C were observed over the course of the thermal exposure conditions used in most of the experiments. A mathematical model for transient heat transfer was developed to complement the thermal exposure experimental study. The model took into consideration forced convective heat transfer, quasi-steady heat conduction through the composite layers of the SCBA cylinder wall, the breathing pattern and action of the breathing simulator, and predicted air temperatures from the thermally exposed SCBA cylinder and temperatures at the outer surface of the SCBA cylinder. Model predictions agreed reasonably well with the experimental measurements. Published by Elsevier Ltd.

Integrated Devices and Systems | Grid Modernization | NREL

Science.gov Websites

storage models Microgrids Microgrids Grid Simulation and Power Hardware-in-the-Loop Grid simulation and power hardware-in-the-loop Grid Standards and Codes Standards and codes Contact Barry Mather, Ph.D

Point defect evolution in Ni, NiFe and NiCr alloys from atomistic simulations and irradiation experiments

DOE PAGES

Aidhy, Dilpuneet S.; Lu, Chenyang; Jin, Ke; ...

2015-08-08

Using molecular dynamics simulations, we elucidate irradiation-induced point defect evolution in fcc pure Ni, Ni 0.5Fe 0.5, and Ni 0.8Cr 0.2 solid solution alloys. We find that irradiation-induced interstitials form dislocation loops that are of 1/3 <111>{111}-type, consistent with our experimental results. While the loops are formed in all the three materials, the kinetics of formation is considerably slower in NiFe and NiCr than in pure Ni, indicating that defect migration barriers and extended defect formation energies could be higher in the alloys than pure Ni. As a result, while larger size clusters are formed in pure Ni, smaller andmore » more clusters are observed in the alloys. The vacancy diffusion occurs at relatively higher temperatures than interstitials, and their clustering leads to formation of stacking fault tetrahedra, also consistent with our experiments. The results also show that the surviving Frenkel pairs are composition-dependent and are largely Ni dominated.« less

Simulation of a main steam line break with steam generator tube rupture using trace

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

Gallardo, S.; Querol, A.; Verdu, G.

A simulation of the OECD/NEA ROSA-2 Project Test 5 was made with the thermal-hydraulic code TRACE5. Test 5 performed in the Large Scale Test Facility (LSTF) reproduced a Main Steam Line Break (MSLB) with a Steam Generator Tube Rupture (SGTR) in a Pressurized Water Reactor (PWR). The result of these simultaneous breaks is a depressurization in the secondary and primary system in loop B because both systems are connected through the SGTR. Good approximation was obtained between TRACE5 results and experimental data. TRACE5 reproduces qualitatively the phenomena that occur in this transient: primary pressure falls after the break, stagnation ofmore » the pressure after the opening of the relief valve of the intact steam generator, the pressure falls after the two openings of the PORV and the recovery of the liquid level in the pressurizer after each closure of the PORV. Furthermore, a sensitivity analysis has been performed to know the effect of varying the High Pressure Injection (HPI) flow rate in both loops on the system pressures evolution. (authors)« less

LOOPREF: A Fluid Code for the Simulation of Coronal Loops

NASA Technical Reports Server (NTRS)

deFainchtein, Rosalinda; Antiochos, Spiro; Spicer, Daniel

1998-01-01

This report documents the code LOOPREF. LOOPREF is a semi-one dimensional finite element code that is especially well suited to simulate coronal-loop phenomena. It has a full implementation of adaptive mesh refinement (AMR), which is crucial for this type of simulation. The AMR routines are an improved version of AMR1D. LOOPREF's versatility makes is suitable to simulate a wide variety of problems. In addition to efficiently providing very high resolution in rapidly changing regions of the domain, it is equipped to treat loops of variable cross section, any non-linear form of heat conduction, shocks, gravitational effects, and radiative loss.

Modeling and Compensation Design for a Power Hardware-in-the-Loop Simulation of an AC Distribution System

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

Ainsworth, Nathan; Hariri, Ali; Prabakar, Kumaraguru

Power hardware-in-the-loop (PHIL) simulation, where actual hardware under text is coupled with a real-time digital model in closed loop, is a powerful tool for analyzing new methods of control for emerging distributed power systems. However, without careful design and compensation of the interface between the simulated and actual systems, PHIL simulations may exhibit instability and modeling inaccuracies. This paper addresses issues that arise in the PHIL simulation of a hardware battery inverter interfaced with a simulated distribution feeder. Both the stability and accuracy issues are modeled and characterized, and a methodology for design of PHIL interface compensation to ensure stabilitymore » and accuracy is presented. The stability and accuracy of the resulting compensated PHIL simulation is then shown by experiment.« less

Modeling and Compensation Design for a Power Hardware-in-the-Loop Simulation of an AC Distribution System: Preprint

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

Prabakar, Kumaraguru; Ainsworth, Nathan; Pratt, Annabelle

Power hardware-in-the-loop (PHIL) simulation, where actual hardware under text is coupled with a real-time digital model in closed loop, is a powerful tool for analyzing new methods of control for emerging distributed power systems. However, without careful design and compensation of the interface between the simulated and actual systems, PHIL simulations may exhibit instability and modeling inaccuracies. This paper addresses issues that arise in the PHIL simulation of a hardware battery inverter interfaced with a simulated distribution feeder. Both the stability and accuracy issues are modeled and characterized, and a methodology for design of PHIL interface compensation to ensure stabilitymore » and accuracy is presented. The stability and accuracy of the resulting compensated PHIL simulation is then shown by experiment.« less

Structural dynamics of the lac repressor-DNA complex revealed by a multiscale simulation.

PubMed

Villa, Elizabeth; Balaeff, Alexander; Schulten, Klaus

2005-05-10

A multiscale simulation of a complex between the lac repressor protein (LacI) and a 107-bp-long DNA segment is reported. The complex between the repressor and two operator DNA segments is described by all-atom molecular dynamics; the size of the simulated system comprises either 226,000 or 314,000 atoms. The DNA loop connecting the operators is modeled as a continuous elastic ribbon, described mathematically by the nonlinear Kirchhoff differential equations with boundary conditions obtained from the coordinates of the terminal base pairs of each operator. The forces stemming from the looped DNA are included in the molecular dynamics simulations; the loop structure and the forces are continuously recomputed because the protein motions during the simulations shift the operators and the presumed termini of the loop. The simulations reveal the structural dynamics of the LacI-DNA complex in unprecedented detail. The multiple domains of LacI exhibit remarkable structural stability during the simulation, moving much like rigid bodies. LacI is shown to absorb the strain from the looped DNA mainly through its mobile DNA-binding head groups. Even with large fluctuating forces applied, the head groups tilt strongly and keep their grip on the operator DNA, while the remainder of the protein retains its V-shaped structure. A simulated opening of the cleft of LacI by 500-pN forces revealed the interactions responsible for locking LacI in the V-conformation.

High alpha feedback control for agile half-loop maneuvers of the F-18 airplane

NASA Technical Reports Server (NTRS)

Stalford, Harold

1988-01-01

A nonlinear feedback control law for the F/A-18 airplane that provides time-optimal or agile maneuvering of the half-loop maneuver at high angles of attack is given. The feedback control law was developed using the mathematical approach of singular perturbations, in which the control devices considered were conventional aerodynamic control surfaces and thrusting. The derived nonlinear control law was used to simulate F/A-18 half-loop maneuvers. The simulated results at Mach 0.6 and 0.9 compared well with pilot simulations conducted at NASA.

Verification of Spin Magnetic Attitude Control System using air-bearing-based attitude control simulator

NASA Astrophysics Data System (ADS)

Ousaloo, H. S.; Nodeh, M. T.; Mehrabian, R.

2016-09-01

This paper accomplishes one goal and it was to verify and to validate a Spin Magnetic Attitude Control System (SMACS) program and to perform Hardware-In-the-Loop (HIL) air-bearing experiments. A study of a closed-loop magnetic spin controller is presented using only magnetic rods as actuators. The magnetic spin rate control approach is able to perform spin rate control and it is verified with an Attitude Control System (ACS) air-bearing MATLAB® SIMULINK® model and a hardware-embedded LABVIEW® algorithm that controls the spin rate of the test platform on a spherical air bearing table. The SIMULINK® model includes dynamic model of air-bearing, its disturbances, actuator emulation and the time delays caused by on-board calculations. The air-bearing simulator is employed to develop, improve, and carry out objective tests of magnetic torque rods and spin rate control algorithm in the experimental framework and to provide a more realistic demonstration of expected performance of attitude control as compared with software-based architectures. Six sets of two torque rods are used as actuators for the SMACS. It is implemented and simulated to fulfill mission requirement including spin the satellite up to 12 degs-1 around the z-axis. These techniques are documented for the full nonlinear equations of motion of the system and the performances of these techniques are compared in several simulations.

Double closed-loop resonant micro optic gyro using hybrid digital phase modulation.

PubMed

Ma, Huilian; Zhang, Jianjie; Wang, Linglan; Jin, Zhonghe

2015-06-15

It is well-known that the closed-loop operation in optical gyros offers wider dynamic range and better linearity. By adding a stair-like digital serrodyne wave to a phase modulator can be used as a frequency shifter. The width of one stair in this stair-like digital serrodyne wave should be set equal to the optical transmission time in the resonator, which is relaxed in the hybrid digital phase modulation (HDPM) scheme. The physical mechanism for this relaxation is firstly indicated in this paper. Detailed theoretical and experimental investigations are presented for the HDPM. Simulation and experimental results show that the width of one stair is not restricted by the optical transmission time, however, it should be optimized according to the rise time of the output of the digital-to-analogue converter. Based on the optimum parameters of the HDPM, a bias stability of 0.05°/s for the integration time of 400 seconds in 1 h has been carried out in an RMOG with a waveguide ring resonator with a length of 7.9 cm and a diameter of 2.5 cm.

High frequency, high temperature specific core loss and dynamic B-H hysteresis loop characteristics of soft magnetic alloys

NASA Technical Reports Server (NTRS)

Wieserman, W. R.; Schwarze, G. E.; Niedra, J. M.

1990-01-01

Limited experimental data exists for the specific core loss and dynamic B-H loops for soft magnetic materials for the combined conditions of high frequency and high temperature. This experimental study investigates the specific core loss and dynamic B-H loop characteristics of Supermalloy and Metglas 2605SC over the frequency range of 1 to 50 kHz and temperature range of 23 to 300 C under sinusoidal voltage excitation. The experimental setup used to conduct the investigation is described. The effects of the maximum magnetic flux density, frequency, and temperature on the specific core loss and on the size and shape of the B-H loops are examined.

Image simulation for HardWare In the Loop simulation in EO domain

NASA Astrophysics Data System (ADS)

Cathala, Thierry; Latger, Jean

2015-10-01

Infrared camera as a weapon sub system for automatic guidance is a key component for military carrier such as missile for example. The associated Image Processing, that controls the navigation, needs to be intensively assessed. Experimentation in the real world is very expensive. This is the main reason why hybrid simulation also called HardWare In the Loop (HWIL) is more and more required nowadays. In that field, IR projectors are able to cast IR fluxes of photons directly onto the IR camera of a given weapon system, typically a missile seeker head. Though in laboratory, the missile is so stimulated exactly like in the real world, provided a realistic simulation tool enables to perform synthetic images to be displayed by the IR projectors. The key technical challenge is to render the synthetic images at the required frequency. This paper focuses on OKTAL-SE experience in this domain through its product SE-FAST-HWIL. It shows the methodology and Return of Experience from OKTAL-SE. Examples are given, in the frame of the SE-Workbench. The presentation focuses on trials on real operational complex 3D cases. In particular, three important topics, that are very sensitive with regards to IG performance, are detailed: first the 3D sea surface representation, then particle systems rendering especially to simulate flares and at last sensor effects modelling. Beyond "projection mode", some information will be given on the SE-FAST-HWIL new capabilities dedicated to "injection mode".

Comparison of Airborne and Ground-Based Function Allocation Concepts for NextGen Using Human-In-The-Loop Simulations

NASA Technical Reports Server (NTRS)

Wing, David J.; Prevot, Thomas; Murdoch, Jennifer L.; Cabrall, Christopher D.; Homola, Jeffrey R.; Martin, Lynne H.; Mercer, Joey S.; Hoadley, Sherwood T.; Wilson, Sara R.; Hubbs, Clay E.;

Hidden attractors in dynamical models of phase-locked loop circuits: Limitations of simulation in MATLAB and SPICE

NASA Astrophysics Data System (ADS)

Kuznetsov, N. V.; Leonov, G. A.; Yuldashev, M. V.; Yuldashev, R. V.

2017-10-01

During recent years it has been shown that hidden oscillations, whose basin of attraction does not overlap with small neighborhoods of equilibria, may significantly complicate simulation of dynamical models, lead to unreliable results and wrong conclusions, and cause serious damage in drilling systems, aircrafts control systems, electromechanical systems, and other applications. This article provides a survey of various phase-locked loop based circuits (used in satellite navigation systems, optical, and digital communication), where such difficulties take place in MATLAB and SPICE. Considered examples can be used for testing other phase-locked loop based circuits and simulation tools, and motivate the development and application of rigorous analytical methods for the global analysis of phase-locked loop based circuits.

Tracking performance and cycle slipping in the all-digital symbol synchronizer loop of the block 5 receiver

NASA Astrophysics Data System (ADS)

Aung, M.

1992-11-01

Computer simulated noise performance of the symbol synchronizer loop (SSL) in the Block 5 receiver is compared with the theoretical noise performance. Good agreement is seen at the higher loop SNR's (SNR(sub L)'s), with gradual degradation as the SNR(sub L) is decreased. For the different cases simulated, cycle slipping is observed (within the simulation time of 10(exp 4) seconds) at SNR(sub L)'s below different thresholds, ranging from 6 to 8.5 dB, comparable to that of a classical phase-locked loop. An important point, however, is that to achieve the desired loop SNR above the seemingly low threshold to avoid cycle slipping, a large data-to-loop-noise power ratio, P(sub D)/(N(sub 0)B(sub L)), is necessary (at least 13 dB larger than the desired SNR(sub L) in the optimum case and larger otherwise). This is due to the large squaring loss (greater than or equal to 13 dB) inherent in the SSL. For the special case of symbol rates approximately equaling the loop update rate, a more accurate equivalent model accounting for an extra loop update period delay (characteristic of the SSL phase detector design) is derived. This model results in a more accurate estimation of the noise-equivalent bandwidth of the loop.

Tracking performance and cycle slipping in the all-digital symbol synchronizer loop of the block 5 receiver

NASA Technical Reports Server (NTRS)

Aung, M.

1992-01-01

Computer simulated noise performance of the symbol synchronizer loop (SSL) in the Block 5 receiver is compared with the theoretical noise performance. Good agreement is seen at the higher loop SNR's (SNR(sub L)'s), with gradual degradation as the SNR(sub L) is decreased. For the different cases simulated, cycle slipping is observed (within the simulation time of 10(exp 4) seconds) at SNR(sub L)'s below different thresholds, ranging from 6 to 8.5 dB, comparable to that of a classical phase-locked loop. An important point, however, is that to achieve the desired loop SNR above the seemingly low threshold to avoid cycle slipping, a large data-to-loop-noise power ratio, P(sub D)/(N(sub 0)B(sub L)), is necessary (at least 13 dB larger than the desired SNR(sub L) in the optimum case and larger otherwise). This is due to the large squaring loss (greater than or equal to 13 dB) inherent in the SSL. For the special case of symbol rates approximately equaling the loop update rate, a more accurate equivalent model accounting for an extra loop update period delay (characteristic of the SSL phase detector design) is derived. This model results in a more accurate estimation of the noise-equivalent bandwidth of the loop.

Scaling of Loop-Erased Walks in 2 to 4 Dimensions

NASA Astrophysics Data System (ADS)

Grassberger, Peter

2009-07-01

We simulate loop-erased random walks on simple (hyper-)cubic lattices of dimensions 2, 3 and 4. These simulations were mainly motivated to test recent two loop renormalization group predictions for logarithmic corrections in d=4, simulations in lower dimensions were done for completeness and in order to test the algorithm. In d=2, we verify with high precision the prediction D=5/4, where the number of steps n after erasure scales with the number N of steps before erasure as n˜ N D/2. In d=3 we again find a power law, but with an exponent different from the one found in the most precise previous simulations: D=1.6236±0.0004. Finally, we see clear deviations from the naive scaling n˜ N in d=4. While they agree only qualitatively with the leading logarithmic corrections predicted by several authors, their agreement with the two-loop prediction is nearly perfect.

Modeling a Full Coronal Loop Observed with Hinode EIS and SDO AIA

NASA Technical Reports Server (NTRS)

Alexander, Caroline; Winebarger, Amy R.

2015-01-01

Physical parameters measured from an observation of a coronal loop from Gupta et al. (2015) using Hinode/EIS and SDO/AIA were used as input for the hydrodynamic, impulsively heating NRLSOFM 1-­d loop model. The model was run at eight different energy inputs and used the measured quantities of temperature (0.73 MK), density (10(sup 8.5)cm(sup -3) and minimum loop lifetime to evaluate the success of the model at recreating the observations. The loop was measured by us to have an unprojected length of 236 Mm and was assumed to be almost perpendicular to the solar surface (tilt of 3.5 degrees) and have a dipolar geometry. Our results show that two of our simulation runs (with input energies of 0.01 and 0.02 ergs cm(sup -3)S(sup -1) closely match the temperature/density combination exhibited by the loop observation. However, our simulated loops only remain in the temperature sensitive region of the Mg 278.4 Angstrom filter for 500 and 800 seconds respectively which is less than the 1200 seconds that the loop is observed for with EIS in order to make the temperature/density measurements over the loop's entire length. This leads us to conclude that impulsive heating of a single loop is not complex enough to explain this observation. Additional steady heating or a collection of additional strands along the line-­of-­sight would help to align the simulation with the observation.

Analysis of a first order phase locked loop in the presence of Gaussian noise

NASA Technical Reports Server (NTRS)

Blasche, P. R.

1977-01-01

A first-order digital phase locked loop is analyzed by application of a Markov chain model. Steady state loop error probabilities, phase standard deviation, and mean loop transient times are determined for various input signal to noise ratios. Results for direct loop simulation are presented for comparison.

Modeling of testosterone regulation by pulse-modulated feedback: An experimental data study

NASA Astrophysics Data System (ADS)

Mattsson, Per; Medvedev, Alexander

2013-10-01

The continuous part of a hybrid (pulse-modulated) model of testosterone feedback regulation is extended with infinite-dimensional and nonlinear dynamics, to better explain the testosterone concentration profiles observed in clinical data. A linear least-squares based optimization algorithm is developed for the purpose of detecting impulses of gonadotropin-realsing hormone from measured concentration of luteinizing hormone. The parameters in the model are estimated from hormone concentration measured in human males, and simulation results from the full closed-loop system are provided.

Flexwall Hydraulic Hose Replacement in the NASA Glenn 10- by 10-Foot Supersonic Propulsion Wind Tunnel

NASA Technical Reports Server (NTRS)

Smith, Larry E.; Roeder, James W.; Linne, Alan A.; Klann, Gary A.

2003-01-01

The space-time conservation-element and solution-element method is employed to numerically study the near-field screech-tone noise of a typical underexpanded circular jet issuing from a sonic nozzle. Both axisymmetric and fully three-dimensional computations are carried out. The self-sustained feedback loop is properly simulated. The computed shock-cell structure, acoustic wave length, screech-tone frequency, and sound-pressure levels are in good agreement with existing experimental results.

Frequency-Tracking CW Doppler Radar Solving Small-Angle Approximation and Null Point Issues in Non-Contact Vital Signs Monitoring.

PubMed

Mercuri, Marco; Liu, Yao-Hong; Lorato, Ilde; Torfs, Tom; Bourdoux, Andre; Van Hoof, Chris

2017-06-01

A Doppler radar operating as a Phase-Locked-Loop (PLL) in frequency demodulator configuration is presented and discussed. The proposed radar presents a unique architecture, using a single channel mixer, and allows to detect contactless vital signs parameters while solving the null point issue and without requiring the small angle approximation condition. Spectral analysis, simulations, and experimental results are presented and detailed to demonstrate the feasibility and the operational principle of the proposed radar architecture.

Closed-loop analysis and control of a non-inverting buck-boost converter

NASA Astrophysics Data System (ADS)

Chen, Zengshi; Hu, Jiangang; Gao, Wenzhong

2010-11-01

In this article, a cascade controller is designed and analysed for a non-inverting buck-boost converter. The fast inner current loop uses sliding mode control. The slow outer voltage loop uses the proportional-integral (PI) control. Stability analysis and selection of PI gains are based on the nonlinear closed-loop error dynamics incorporating both the inner and outer loop controllers. The closed-loop system is proven to have a nonminimum phase structure. The voltage transient due to step changes of input voltage or resistance is predictable. The operating range of the reference voltage is discussed. The controller is validated by a simulation circuit. The simulation results show that the reference output voltage is well-tracked under system uncertainties or disturbances, confirming the validity of the proposed controller.

OBSERVATIONAL SIGNATURES OF CORONAL LOOP HEATING AND COOLING DRIVEN BY FOOTPOINT SHUFFLING

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

Dahlburg, R. B.; Taylor, B. D.; Einaudi, G.

The evolution of a coronal loop is studied by means of numerical simulations of the fully compressible three-dimensional magnetohydrodynamic equations using the HYPERION code. The footpoints of the loop magnetic field are advected by random motions. As a consequence, the magnetic field in the loop is energized and develops turbulent nonlinear dynamics characterized by the continuous formation and dissipation of field-aligned current sheets: energy is deposited at small scales where heating occurs. Dissipation is nonuniformly distributed so that only a fraction of the coronal mass and volume gets heated at any time. Temperature and density are highly structured at scalesmore » that, in the solar corona, remain observationally unresolved: the plasma of our simulated loop is multithermal, where highly dynamical hotter and cooler plasma strands are scattered throughout the loop at sub-observational scales. Numerical simulations of coronal loops of 50,000 km length and axial magnetic field intensities ranging from 0.01 to 0.04 T are presented. To connect these simulations to observations, we use the computed number densities and temperatures to synthesize the intensities expected in emission lines typically observed with the Extreme Ultraviolet Imaging Spectrometer on Hinode. These intensities are used to compute differential emission measure distributions using the Monte Carlo Markov Chain code, which are very similar to those derived from observations of solar active regions. We conclude that coronal heating is found to be strongly intermittent in space and time, with only small portions of the coronal loop being heated: in fact, at any given time, most of the corona is cooling down.« less

A molecular mechanism of P-loop pliability of Rho-kinase investigated by molecular dynamic simulation

NASA Astrophysics Data System (ADS)

Gohda, Keigo; Hakoshima, Toshio

2008-11-01

Rho-kinase is a leading player in the regulation of cytoskeletal events involving smooth muscle contraction and neurite growth-cone collapse and retraction, and is a promising drug target in the treatment of both vascular and neurological disorders. Recent crystal structure of Rho-kinase complexed with a small-molecule inhibitor fasudil has revealed structural details of the ATP-binding site, which represents the target site for the inhibitor, and showed that the conserved phenylalanine on the P-loop occupies the pocket, resulting in an increase of protein-ligand contacts. Thus, the P-loop pliability is considered to play an important role in inhibitor binding affinity and specificity. In this study, we carried out a molecular dynamic simulation for Rho-kinase-fasudil complexes with two different P-loop conformations, i.e., the extended and folded conformations, in order to understand the P-loop pliability and dynamics at atomic level. A PKA-fasudil complex was also used for comparison. In the MD simulation, the flip-flop movement of the P-loop conformation starting either from the extended or folded conformation was not able to be observed. However, a significant conformational change in a long loop region covering over the P-loop, and also alteration of ionic interaction-manner of fasudil with acidic residues in the ATP binding site were shown only in the Rho-kinase-fasudil complex with the extended P-loop conformation, while Rho-kinase with the folded P-loop conformation and PKA complexes did not show large fluctuations, suggesting that the Rho-kinase-fasudil complex with the extended P-loop conformation represents a meta-stable state. The information of the P-loop pliability at atomic level obtained in this study could provide valuable clues to designing potent and/or selective inhibitors for Rho-kinase.

Domain wall energy landscapes in amorphous magnetic films with asymmetric arrays of holes

NASA Astrophysics Data System (ADS)

Alija, A.; Pérez-Junquera, A.; Rodríguez-Rodríguez, G.; Vélez, M.; Marconi, V. I.; Kolton, A. B.; Anguita, J. V.; Alameda, J. M.; Parrondo, J. M. R.; Martín, J. I.

2009-02-01

Arrays of asymmetric holes have been defined in amorphous Co-Si films by e-beam lithography in order to study domain wall motion across the array subject to the asymmetric pinning potential created by the holes. Experimental results on Kerr effect magnetooptical measurements and hysteresis loops are compared with micromagnetic simulations in films with arrays of triangular holes. These show that the potential asymmetry favours forward wall propagation for flat walls but, if the wall contains a kink, net backward wall propagation is preferred at low fields, in agreement with minor loop experiments. The difference between the fields needed for forward and backward flat wall propagation increases as the size of the triangular holes is reduced, becoming maximum for 1 µm triangles, which is the characteristic length scale set by domain wall width.

Suspension force control of bearingless permanent magnet slice motor based on flux linkage identification.

PubMed

Zhu, Suming; Zhu, Huangqiu

2015-07-01

The control accuracy and dynamic performance of suspension force are confined in the traditional bearingless permanent magnet slice motor (BPMSM) control strategies because the suspension force control is indirectly achieved by adopting a closed loop of displacement only. Besides, the phase information in suspension force control relies on accurate measurement of rotor position, making the control system more complex. In this paper, a new suspension force control strategy with displacement and radial suspension force double closed loops is proposed, the flux linkage of motor windings is identified based on voltage-current model and the flexibility of motor control can be improved greatly. Simulation and experimental results show that the proposed suspension force control strategy is effective to realize the stable operation of the BPMSM. Copyright © 2015 ISA. Published by Elsevier Ltd. All rights reserved.

Validating a Coarse-Grained Potential Energy Function through Protein Loop Modelling

PubMed Central

MacDonald, James T.; Kelley, Lawrence A.; Freemont, Paul S.

2013-01-01

Coarse-grained (CG) methods for sampling protein conformational space have the potential to increase computational efficiency by reducing the degrees of freedom. The gain in computational efficiency of CG methods often comes at the expense of non-protein like local conformational features. This could cause problems when transitioning to full atom models in a hierarchical framework. Here, a CG potential energy function was validated by applying it to the problem of loop prediction. A novel method to sample the conformational space of backbone atoms was benchmarked using a standard test set consisting of 351 distinct loops. This method used a sequence-independent CG potential energy function representing the protein using -carbon positions only and sampling conformations with a Monte Carlo simulated annealing based protocol. Backbone atoms were added using a method previously described and then gradient minimised in the Rosetta force field. Despite the CG potential energy function being sequence-independent, the method performed similarly to methods that explicitly use either fragments of known protein backbones with similar sequences or residue-specific /-maps to restrict the search space. The method was also able to predict with sub-Angstrom accuracy two out of seven loops from recently solved crystal structures of proteins with low sequence and structure similarity to previously deposited structures in the PDB. The ability to sample realistic loop conformations directly from a potential energy function enables the incorporation of additional geometric restraints and the use of more advanced sampling methods in a way that is not possible to do easily with fragment replacement methods and also enable multi-scale simulations for protein design and protein structure prediction. These restraints could be derived from experimental data or could be design restraints in the case of computational protein design. C++ source code is available for download from http://www.sbg.bio.ic.ac.uk/phyre2/PD2/. PMID:23824634

Experimental and numerical studies on the treatment of wet astronaut trash by forced-convection drying

NASA Astrophysics Data System (ADS)

Arquiza, J. M. R. Apollo; Morrow, Robert; Remiker, Ross; Hunter, Jean B.

2017-09-01

During long-term space missions, astronauts generate wet trash, including food containers with uneaten portions, moist hygiene wipes and wet paper towels. This waste produces two problems: the loss of water and the generation of odors and health hazards by microbial growth. These problems are solved by a closed-loop, forced-convection, heat-pump drying system which stops microbial activity by both pasteurization and desiccation, and recovers water in a gravity-independent porous media condensing heat exchanger. A transient, pseudo-homogeneous continuum model for the drying of wet ersatz trash was formulated for this system. The model is based on the conservation equations for energy and moisture applied to the air and solid phases and includes the unique trash characteristic of having both dry and wet solids. Experimentally determined heat and mass transfer coefficients, together with the moisture sorption equilibrium relationship for the wet material are used in the model. The resulting system of differential equations is solved by the finite-volume method as implemented by the commercial software COMSOL. Model simulations agreed well with experimental data under certain conditions. The validated model will be used in the optimization of the entire closed-loop system consisting of fan, air heater, dryer vessel, heat-pump condenser, and heat-recovery modules.

Transient boiling in two-phase helium natural circulation loops

NASA Astrophysics Data System (ADS)

Furci, H.; Baudouy, B.; Four, A.; Meuris, C.

2014-01-01

Two-phase helium natural circulation loops are used for cooling large superconducting magnets, as CMS for LHC. During normal operation or in the case of incidents, transients are exerted on the cooling system. Here a cooling system of this type is studied experimentally. Sudden power changes are operated on a vertical-heated-section natural convection loop, simulating a fast increase of heat deposition on magnet cooling pipes. Mass flow rate, heated section wall temperature and pressure drop variations are measured as a function of time, to assess the time behavior concerning the boiling regime according to the values of power injected on the heated section. The boiling curves and critical heat flux (CHF) values have been obtained in steady state. Temperature evolution has been observed in order to explore the operating ranges where heat transfer is deteriorated. Premature film boiling has been observed during transients on the heated section in some power ranges, even at appreciably lower values than the CHF. A way of attenuating these undesired temperature excursions has been identified through the application of high enough initial heating power.

Fabry-Perot resonators with transverse coupling on SOI using loop mirrors

NASA Astrophysics Data System (ADS)

Saber, Md Ghulam; Abadía, Nicolás; Wang, Yun; Plant, David V.

2018-05-01

A novel integrated transversely coupled Fabry-Perot resonator using loop mirrors as the end reflectors are demonstrated via simulations and experiments on the silicon-on-insulator (SOI) platform. The resonator is formed by connecting two loop mirrors to the two output ports of a directional coupler to form the resonant cavity and utilizing the other two ports as the input and the output. Depending on which two ports of the directional coupler are mirrored, two configurations of the resonator can be achieved. The impacts of varying the cavity length and the coupling coefficient of the directional coupler on the output characteristics of the resonators are analyzed. A Q-factor of 28086 and an extinction ratio of 10.04 dB with an insertion loss of 1.9 dB is achieved experimentally for a 1038 μm cavity length and an extinction ratio of 18.14 dB and a Q-factor of 5120 with an insertion loss of 2.12 dB is obtained for a cavity length of 376 μm. The reported resonator offers additional freedom to tune the spectral characteristics.

Object kinetic Monte Carlo model for neutron and ion irradiation in tungsten: Impact of transmutation and carbon impurities

NASA Astrophysics Data System (ADS)

Castin, N.; Bonny, G.; Bakaev, A.; Ortiz, C. J.; Sand, A. E.; Terentyev, D.

2018-03-01

We upgrade our object kinetic Monte Carlo (OKMC) model, aimed at describing the microstructural evolution in tungsten (W) under neutron and ion irradiation. Two main improvements are proposed based on recently published atomistic data: (a) interstitial carbon impurities, and their interaction with radiation-induced defects (point defect clusters and loops), are more accurately parameterized thanks to ab initio findings; (b) W transmutation to rhenium (Re) upon neutron irradiation, impacting the diffusivity of radiation defects, is included, also relying on recent atomistic data. These essential amendments highly improve the portability of our OKMC model, providing a description for the formation of SIA-type loops under different irradiation conditions. The model is applied to simulate neutron and ion irradiation in pure W samples, in a wide range of fluxes and temperatures. We demonstrate that it performs a realistic prediction of the population of TEM-visible voids and loops, as compared to experimental evidence. The impact of the transmutation of W to Re, and of carbon trapping, is assessed.

Optimizing the feedback control of Galvo scanners for laser manufacturing systems

NASA Astrophysics Data System (ADS)

Mirtchev, Theodore; Weeks, Robert; Minko, Sergey

2010-06-01

This paper summarizes the factors that limit the performance of moving-magnet galvo scanners driven by closed-loop digital servo amplifiers: torsional resonances, drifts, nonlinearities, feedback noise and friction. Then it describes a detailed Simulink® simulator that takes into account these factors and can be used to automatically tune the controller for best results with given galvo type and trajectory patterns. It allows for rapid testing of different control schemes, for instance combined position/velocity PID loops and displays the corresponding output in terms of torque, angular position and feedback sensor signal. The tool is configurable and can either use a dynamical state-space model of galvo's open-loop response, or can import the experimentally measured frequency domain transfer function. Next a drive signal digital pre-filtering technique is discussed. By performing a real-time Fourier analysis of the raw command signal it can be pre-warped to minimize all harmonics around the torsional resonances while boosting other non-resonant high frequencies. The optimized waveform results in much smaller overshoot and better settling time. Similar performance gain cannot be extracted from the servo controller alone.

Monte Carlo study of magnetic nanoparticles adsorbed on halloysite Al2Si2O5(OH) 4 nanotubes

NASA Astrophysics Data System (ADS)

Sotnikov, O. M.; Mazurenko, V. V.; Katanin, A. A.

2017-12-01

We study properties of magnetic nanoparticles adsorbed on the halloysite surface. For that a distinct magnetic Hamiltonian with a random distribution of spins on a cylindrical surface was solved by using a nonequilibrium Monte Carlo method. The parameters for our simulations, the anisotropy constant, nanoparticle size distribution, saturated magnetization, and geometrical characteristics of the halloysite template, were taken from recent experiments. We calculate the hysteresis loops and temperature dependence of the zero-field-cooling (ZFC) susceptibility, the maximum of which determines the blocking temperature. It is shown that the dipole-dipole interaction between nanoparticles moderately increases the blocking temperature and weakly increases the coercive force. The obtained hysteresis loops (e.g., the value of the coercive force) for Ni nanoparticles are in reasonable agreement with the experimental data. We also discuss the sensitivity of the hysteresis loops and ZFC susceptibilities to the change in anisotropy and dipole-dipole interaction, as well as the 3 d -shell occupation of the metallic nanoparticles; in particular we predict larger coercive force for Fe than for Ni nanoparticles.

Comparison of three-dimensional orthodontic load systems of different commercial archwires for space closure

PubMed Central

Gajda, Steven; Chen, Jie

2014-01-01

Objective To experimentally quantify the effects of the loop design on three-dimensional orthodontic load systems of two types of commercial closing loop archwires: Teardrop and Keyhole. Materials and Methods An orthodontic force tester and custom-made dentoform were used to measure the load systems produced on two teeth during simulated space closure. The system included three force components along and three moment components about three clinically defined axes on two target teeth: the left maxillary canine and the lateral incisor. The archwires were attached to the dentoform and were activated following a standard clinical procedure. Results The resulting six load components produced by the two archwires were reported and compared. The results were also compared with those of the T-loop archwire published previously. Conclusions The three designs deliver similar loading patterns; however, the component magnitudes are dependent on the design. All of the designs result in lingual tipping of the teeth, canine lingual-mesial displacement, canine crown-mesial-in rotation, and incisor crown-distal-in rotation. PMID:21879793

Conformational Control of the Binding of the Transactivation Domain of the MLL Protein and c-Myb to the KIX Domain of CREB

PubMed Central

Korkmaz, Elif Nihal; Nussinov, Ruth; Haliloğlu, Türkan

2012-01-01

The KIX domain of CBP is a transcriptional coactivator. Concomitant binding to the activation domain of proto-oncogene protein c-Myb and the transactivation domain of the trithorax group protein mixed lineage leukemia (MLL) transcription factor lead to the biologically active ternary MLL∶KIX∶c-Myb complex which plays a role in Pol II-mediated transcription. The binding of the activation domain of MLL to KIX enhances c-Myb binding. Here we carried out molecular dynamics (MD) simulations for the MLL∶KIX∶c-Myb ternary complex, its binary components and KIX with the goal of providing a mechanistic explanation for the experimental observations. The dynamic behavior revealed that the MLL binding site is allosterically coupled to the c-Myb binding site. MLL binding redistributes the conformational ensemble of KIX, leading to higher populations of states which favor c-Myb binding. The key element in the allosteric communication pathways is the KIX loop, which acts as a control mechanism to enhance subsequent binding events. We tested this conclusion by in silico mutations of loop residues in the KIX∶MLL complex and by comparing wild type and mutant dynamics through MD simulations. The loop assumed MLL binding conformation similar to that observed in the KIX∶c-Myb state which disfavors the allosteric network. The coupling with c-Myb binding site faded, abolishing the positive cooperativity observed in the presence of MLL. Our major conclusion is that by eliciting a loop-mediated allosteric switch between the different states following the binding events, transcriptional activation can be regulated. The KIX system presents an example how nature makes use of conformational control in higher level regulation of transcriptional activity and thus cellular events. PMID:22438798

Improved process robustness by using closed loop control in deep drawing applications

NASA Astrophysics Data System (ADS)

Barthau, M.; Liewald, M.; Christian, Held

2017-09-01

The production of irregular shaped deep-drawing parts with high quality requirements, which are common in today’s automotive production, permanently challenges production processes. High requirements on lightweight construction of passenger car bodies following European regulations until 2020 have been massively increasing the use of high strength steels substantially for years and are also leading to bigger challenges in sheet metal part production. Of course, the more and more complex shapes of today’s car body shells also intensify the issue due to modern and future design criteria. The metal forming technology tries to meet these challenges by developing a highly sophisticated layout of deep drawing dies that consider part quality requirements, process robustness and controlled material flow during the deep or stretch drawing process phase. A new method for controlling material flow using a closed loop system was developed at the IFU Stuttgart. In contrast to previous approaches, this new method allows a control intervention during the deep-drawing stroke. The blank holder force around the outline of the drawn part is used as control variable. The closed loop is designed as trajectory follow up with feed forward control. The used command variable is the part-wall stress that is measured with a piezo-electric measuring pin. In this paper the used control loop will be described in detail. The experimental tool that was built for testing the new control approach is explained here with its features. A method for gaining the follow up trajectories from simulation will also be presented. Furthermore, experimental results considering the robustness of the deep drawing process and the gain in process performance with developed control loop will be shown. Finally, a new procedure for the industrial application of the new control method of deep drawing will be presented by using a new kind of active element to influence the local blank holder pressure onto part flange.

Numerical Simulation in a Supercirtical CFB Boiler

NASA Astrophysics Data System (ADS)

Zhang, Yanjun; Gaol, Xiang; Luo, Zhongyang; Jiang, Xiaoguo

The dimension of the hot circulation loop of the supercritical CFB boiler is large, and there are many unknowns and challenges that should be identified and resolved during the development. In order to realize a reasonable and reliable design of the hot circulation loop, numerical simulation of gas-solid flow in a supercritical CFB boiler was conducted by using FLUENT software. The working condition of hot circulation loop flow field, gas-solid flow affected by three unsymmetrical cyclones, air distribution and pressure drop in furnace were analyzed. The simulation results showed that the general arrangement of the 600MWe supercritical CFB boiler is reasonable.

A functional selectivity mechanism at the serotonin-2A GPCR involves ligand-dependent conformations of intracellular loop 2

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

Perez-Aguilar, Jose Manuel; Shan, Jufang; LeVine, Michael V.

With recent progress in determination of G protein-coupled receptor (GPCR) structure with crystallography, a variety of other experimental approaches (e.g., NMR spectroscopy, fluorescent-based assays, mass spectrometry techniques) are also being used to characterize state-specific and ligand-specific conformational states. MD simulations offer a powerful complementary approach to elucidate the dynamic features associated with ligand-specific GPCR conformations. To shed light on the conformational elements and dynamics of the important aspect of GPCR functional selectivity, we carried out unbiased microsecond-length MD simulations of the human serotonin 2A receptor (5-HT 2AR) in the absence of ligand and bound to four distinct serotonergic agonists. Themore » 5-HT 2AR is a suitable system to study the structural features involved in the ligand-dependent conformational heterogeneity of GPCRs because it is well-characterized experimentally and exhibits a strong agonist-specific phenotype in that some 5-HT 2AR agonists induce LSD-like hallucinations, while others lack this psychoactive property entirely. Here we report evidence for structural and dynamic differences in 5-HT 2AR interacting with such pharmacologically distinct ligands, hallucinogens, and nonhallucinogens obtained from all-atom MD simulations. Differential ligand binding contacts were identified for structurally similar hallucinogens and nonhallucinogens and found to correspond to different conformations in the intracellular loop 2 (ICL2). From the different ICL2 conformations, functional selective phenotypes are suggested through effects on dimerization and/or distinct direct interaction with effector proteins. Lastly, the findings are presented in the context of currently proposed hallucinogenesis mechanisms, and ICL2 is proposed as a fine-tuning selective switch that can differentiates modes of 5-HT 2AR activation.« less

A functional selectivity mechanism at the serotonin-2A GPCR involves ligand-dependent conformations of intracellular loop 2

DOE PAGES

Perez-Aguilar, Jose Manuel; Shan, Jufang; LeVine, Michael V.; ...

2014-10-14

With recent progress in determination of G protein-coupled receptor (GPCR) structure with crystallography, a variety of other experimental approaches (e.g., NMR spectroscopy, fluorescent-based assays, mass spectrometry techniques) are also being used to characterize state-specific and ligand-specific conformational states. MD simulations offer a powerful complementary approach to elucidate the dynamic features associated with ligand-specific GPCR conformations. To shed light on the conformational elements and dynamics of the important aspect of GPCR functional selectivity, we carried out unbiased microsecond-length MD simulations of the human serotonin 2A receptor (5-HT 2AR) in the absence of ligand and bound to four distinct serotonergic agonists. Themore » 5-HT 2AR is a suitable system to study the structural features involved in the ligand-dependent conformational heterogeneity of GPCRs because it is well-characterized experimentally and exhibits a strong agonist-specific phenotype in that some 5-HT 2AR agonists induce LSD-like hallucinations, while others lack this psychoactive property entirely. Here we report evidence for structural and dynamic differences in 5-HT 2AR interacting with such pharmacologically distinct ligands, hallucinogens, and nonhallucinogens obtained from all-atom MD simulations. Differential ligand binding contacts were identified for structurally similar hallucinogens and nonhallucinogens and found to correspond to different conformations in the intracellular loop 2 (ICL2). From the different ICL2 conformations, functional selective phenotypes are suggested through effects on dimerization and/or distinct direct interaction with effector proteins. Lastly, the findings are presented in the context of currently proposed hallucinogenesis mechanisms, and ICL2 is proposed as a fine-tuning selective switch that can differentiates modes of 5-HT 2AR activation.« less

Comprehensive Logic Based Analyses of Toll-Like Receptor 4 Signal Transduction Pathway

PubMed Central

Padwal, Mahesh Kumar; Sarma, Uddipan; Saha, Bhaskar

2014-01-01

Among the 13 TLRs in the vertebrate systems, only TLR4 utilizes both Myeloid differentiation factor 88 (MyD88) and Toll/Interleukin-1 receptor (TIR)-domain-containing adapter interferon-β-inducing Factor (TRIF) adaptors to transduce signals triggering host-protective immune responses. Earlier studies on the pathway combined various experimental data in the form of one comprehensive map of TLR signaling. But in the absence of adequate kinetic parameters quantitative mathematical models that reveal emerging systems level properties and dynamic inter-regulation among the kinases/phosphatases of the TLR4 network are not yet available. So, here we used reaction stoichiometry-based and parameter independent logical modeling formalism to build the TLR4 signaling network model that captured the feedback regulations, interdependencies between signaling kinases and phosphatases and the outcome of simulated infections. The analyses of the TLR4 signaling network revealed 360 feedback loops, 157 negative and 203 positive; of which, 334 loops had the phosphatase PP1 as an essential component. The network elements' interdependency (positive or negative dependencies) in perturbation conditions such as the phosphatase knockout conditions revealed interdependencies between the dual-specific phosphatases MKP-1 and MKP-3 and the kinases in MAPK modules and the role of PP2A in the auto-regulation of Calmodulin kinase-II. Our simulations under the specific kinase or phosphatase gene-deficiency or inhibition conditions corroborated with several previously reported experimental data. The simulations to mimic Yersinia pestis and E. coli infections identified the key perturbation in the network and potential drug targets. Thus, our analyses of TLR4 signaling highlights the role of phosphatases as key regulatory factors in determining the global interdependencies among the network elements; uncovers novel signaling connections; identifies potential drug targets for infections. PMID:24699232

Kinetic Monte Carlo simulations of the effect of the exchange control layer thickness in CoPtCrB/CoPtCrSiO granular media

NASA Astrophysics Data System (ADS)

Almudallal, Ahmad M.; Mercer, J. I.; Whitehead, J. P.; Plumer, M. L.; van Ek, J.

2018-05-01

A hybrid Landau Lifshitz Gilbert/kinetic Monte Carlo algorithm is used to simulate experimental magnetic hysteresis loops for dual layer exchange coupled composite media. The calculation of the rate coefficients and difficulties arising from low energy barriers, a fundamental problem of the kinetic Monte Carlo method, are discussed and the methodology used to treat them in the present work is described. The results from simulations are compared with experimental vibrating sample magnetometer measurements on dual layer CoPtCrB/CoPtCrSiO media and a quantitative relationship between the thickness of the exchange control layer separating the layers and the effective exchange constant between the layers is obtained. Estimates of the energy barriers separating magnetically reversed states of the individual grains in zero applied field as well as the saturation field at sweep rates relevant to the bit write speeds in magnetic recording are also presented. The significance of this comparison between simulations and experiment and the estimates of the material parameters obtained from it are discussed in relation to optimizing the performance of magnetic storage media.

Current Challenges in the First Principle Quantitative Modelling of the Lower Hybrid Current Drive in Tokamaks

NASA Astrophysics Data System (ADS)

Peysson, Y.; Bonoli, P. T.; Chen, J.; Garofalo, A.; Hillairet, J.; Li, M.; Qian, J.; Shiraiwa, S.; Decker, J.; Ding, B. J.; Ekedahl, A.; Goniche, M.; Zhai, X.

2017-10-01

The Lower Hybrid (LH) wave is widely used in existing tokamaks for tailoring current density profile or extending pulse duration to steady-state regimes. Its high efficiency makes it particularly attractive for a fusion reactor, leading to consider it for this purpose in ITER tokamak. Nevertheless, if basics of the LH wave in tokamak plasma are well known, quantitative modeling of experimental observations based on first principles remains a highly challenging exercise, despite considerable numerical efforts achieved so far. In this context, a rigorous methodology must be carried out in the simulations to identify the minimum number of physical mechanisms that must be considered to reproduce experimental shot to shot observations and also scalings (density, power spectrum). Based on recent simulations carried out for EAST, Alcator C-Mod and Tore Supra tokamaks, the state of the art in LH modeling is reviewed. The capability of fast electron bremsstrahlung, internal inductance li and LH driven current at zero loop voltage to constrain all together LH simulations is discussed, as well as the needs of further improvements (diagnostics, codes, LH model), for robust interpretative and predictive simulations.

Constructive Engineering of Simulations

NASA Technical Reports Server (NTRS)

Snyder, Daniel R.; Barsness, Brendan

2011-01-01

Joint experimentation that investigates sensor optimization, re-tasking and management has far reaching implications for Department of Defense, Interagency and multinational partners. An adaption of traditional human in the loop (HITL) Modeling and Simulation (M&S) was one approach used to generate the findings necessary to derive and support these implications. Here an entity-based simulation was re-engineered to run on USJFCOM's High Performance Computer (HPC). The HPC was used to support the vast number of constructive runs necessary to produce statistically significant data in a timely manner. Then from the resulting sensitivity analysis, event designers blended the necessary visualization and decision making components into a synthetic environment for the HITL simulations trials. These trials focused on areas where human decision making had the greatest impact on the sensor investigations. Thus, this paper discusses how re-engineering existing M&S for constructive applications can positively influence the design of an associated HITL experiment.

Coalescence of two current loops with a kink instability simulated by a three-dimensional electromagnetic particle code

NASA Technical Reports Server (NTRS)

Nishikawa, K.-I.; Sakai, J.-I.; Zhao, Jie; Neubert, T.; Buneman, Oscar

1994-01-01

We have studied the dynamics of a coalescence of current loops using three-dimensional electromagnetic (EM) particle simulation code. Our focus is the investigation of such kinetic processes as energy trasnfer, heating particles, and electromagnetic emissions associated with a current loop coalescence which cannot be studied by MHD simulations. First, the two loops undergo a pinching oscillation due to a pressure imbalance between the inside and outside of the current loop. During the pinching oscillation, a kinetic kink instability is excited and electrons in the loops are heated perpendicularly to an ambient magnetic field. Next, the two current loops collide and coalesce, while at the same time a helical structure grows further. Subsequently, the perturbed current, which is due to these helically bunched electrons, can drive a whistler instability. It should be noted in this case that the whistler wave is excited by the kinetic kink instability and not a beam instability. After the coalescence of two helical loops, tilting motions can be observed in the direction of left-hand rotation, and the helical structure will relax resulting in strong plasma heating mostly in the direction perpendicular to the ambient magnetic field. It is also shown that high-frequency electromagnetic waves can be emitted from the region where the two loops coalesce and propagate strongly in the direction of the electron drift velocity. These processes may be important in understanding heating mechansims for coronal loops as well as radio wave emission mechanisms from active regions of solar plasmas.

Mathematical modeling of planar cell polarity signaling in the Drosophila melanogaster wing

NASA Astrophysics Data System (ADS)

Amonlirdviman, Keith

Planar cell polarity (PCP) signaling refers to the coordinated polarization of cells within the plane of various epithelial tissues to generate sub-cellular asymmetry along an axis orthogonal to their apical-basal axes. For example, in the Drosophila wing, PCP is seen in the parallel orientation of hairs that protrude from each of the approximately 30,000 epithelial cells to robustly point toward the wing tip. Through a poorly understood mechanism, cell clones mutant for some PCP signaling components, including some, but not all alleles of the receptor frizzled, cause polarity disruptions of neighboring, wild-type cells, a phenomenon referred to as domineering nonautonomy. Previous models have proposed diffusible factors to explain nonautonomy, but no such factors have yet been found. This dissertation describes the mathematical modeling of PCP in the Drosophila wing, based on a contact dependent signaling hypothesis derived from experimental results. Intuition alone is insufficient to deduce that this hypothesis, which relies on a local feedback loop acting at the cell membrane, underlies the complex patterns observed in large fields of cells containing mutant clones, and others have argued that it cannot account for observed phenotypes. Through reaction-diffusion, partial differential equation modeling and simulation, the feedback loop is shown to fully reproduce PCP phenotypes, including domineering nonautonomy. The sufficiency of this model and the experimental validation of model predictions argue that previously proposed diffusible factors need not be invoked to explain PCP signaling and reveal how specific protein-protein interactions lead to autonomy or domineering nonautonomy. Based on these results, an ordinary differential equation model is derived to study the relationship of the feedback loop with upstream signaling components. The cadherin Fat transduces a cue to the local feedback loop, biasing the polarity direction of each cell toward the wing tip. The feedback loop then amplifies and propagates PCP across the pupal wing, but polarity information does not always propagate correctly across cells lacking Fat function. Using the simplified model, the presence and severity of polarity defects in fat clones is shown to be an inherent consequence of the feedback loop when confronted with irregular variations in cell geometry.

Structures and functions in the crowded nucleus: new biophysical insights

NASA Astrophysics Data System (ADS)

Hancock, Ronald

2014-09-01

Concepts and methods from the physical sciences have catalysed remarkable progress in understanding the cell nucleus in recent years. To share this excitement with physicists and encourage their interest in this field, this review offers an overview of how the physics which underlies structures and functions in the nucleus is becoming more clear thanks to methods which have been developed to simulate and study macromolecules, polymers, and colloids. The environment in the nucleus is very crowded with macromolecules, making entropic (depletion) forces major determinants of interactions. Simulation and experiments are consistent with their key role in forming membraneless compartments such as nucleoli, PML and Cajal bodies, and discrete "territories" for chromosomes. The chromosomes, giant linear polyelectrolyte polymers, exist in vivo in a state like a polymer melt. Looped conformations are predicted in crowded conditions, and have been confirmed experimentally and are central to the regulation of gene expression. Polymer theory has revealed how the chromosomes are so highly compacted in the nucleus, forming a "crumpled globule" with fractal properties which avoids knots and entanglements in DNA while allowing facile accessibility for its replication and transcription. Entropic repulsion between looped polymers can explain the confinement of each chromosome to a discrete region of the nucleus. Crowding and looping are predicted to facilitate finding the specific targets of factors which modulate activities of DNA. Simulation shows that entropic effects contribute to finding and repairing potentially lethal double-strand breaks in DNA by increasing the mobility of the broken ends, favouring their juxtaposition for repair. Signaling pathways are strongly influenced by crowding, which favours a processive mode of response (consecutive reactions without releasing substrates). This new information contributes to understanding the sometimes counter-intuitive consequences.

A structural model for apolipoprotein C-II amyloid fibrils: experimental characterization and molecular dynamics simulations.

PubMed

Teoh, Chai Lean; Pham, Chi L L; Todorova, Nevena; Hung, Andrew; Lincoln, Craig N; Lees, Emma; Lam, Yuen Han; Binger, Katrina J; Thomson, Neil H; Radford, Sheena E; Smith, Trevor A; Müller, Shirley A; Engel, Andreas; Griffin, Michael D W; Yarovsky, Irene; Gooley, Paul R; Howlett, Geoffrey J

2011-02-04

The self-assembly of specific proteins to form insoluble amyloid fibrils is a characteristic feature of a number of age-related and debilitating diseases. Lipid-free human apolipoprotein C-II (apoC-II) forms characteristic amyloid fibrils and is one of several apolipoproteins that accumulate in amyloid deposits located within atherosclerotic plaques. X-ray diffraction analysis of aligned apoC-II fibrils indicated a simple cross-β-structure composed of two parallel β-sheets. Examination of apoC-II fibrils using transmission electron microscopy, scanning transmission electron microscopy, and atomic force microscopy indicated that the fibrils are flat ribbons composed of one apoC-II molecule per 4.7-Å rise of the cross-β-structure. Cross-linking results using single-cysteine substitution mutants are consistent with a parallel in-register structural model for apoC-II fibrils. Fluorescence resonance energy transfer analysis of apoC-II fibrils labeled with specific fluorophores provided distance constraints for selected donor-acceptor pairs located within the fibrils. These findings were used to develop a simple 'letter-G-like' β-strand-loop-β-strand model for apoC-II fibrils. Fully solvated all-atom molecular dynamics (MD) simulations showed that the model contained a stable cross-β-core with a flexible connecting loop devoid of persistent secondary structure. The time course of the MD simulations revealed that charge clusters in the fibril rearrange to minimize the effects of same-charge interactions inherent in parallel in-register models. Our structural model for apoC-II fibrils suggests that apoC-II monomers fold and self-assemble to form a stable cross-β-scaffold containing relatively unstructured connecting loops. Copyright © 2010 Elsevier Ltd. All rights reserved.

Kinetics of Huperzine A Dissociation from Acetylcholinesterase via Multiple Unbinding Pathways.

PubMed

Rydzewski, J; Jakubowski, R; Nowak, W; Grubmüller, H

2018-06-12

The dissociation of huperzine A (hupA) from Torpedo californica acetylcholinesterase ( TcAChE) was investigated by 4 μs unbiased and biased all-atom molecular dynamics (MD) simulations in explicit solvent. We performed our study using memetic sampling (MS) for the determination of reaction pathways (RPs), metadynamics to calculate free energy, and maximum-likelihood estimation (MLE) to recover kinetic rates from unbiased MD simulations. Our simulations suggest that the dissociation of hupA occurs mainly via two RPs: a front door along the axis of the active-site gorge (pwf) and through a new transient side door (pws), i.e., formed by the Ω-loop (residues 67-94 of TcAChE). An analysis of the inhibitor unbinding along the RPs suggests that pws is opened transiently after hupA and the Ω-loop reach a low free-energy transition state characterized by the orientation of the pyridone group of the inhibitor directed toward the Ω-loop plane. Unlike pws, pwf does not require large structural changes in TcAChE to be accessible. The estimated free energies and rates agree well with available experimental data. The dissociation rates along the unbinding pathways are similar, suggesting that the dissociation of hupA along pws is likely to be relevant. This indicates that perturbations to hupA- TcAChE interactions could potentially induce pathway hopping. In summary, our results characterize the slow-onset inhibition of TcAChE by hupA, which may provide the structural and energetic bases for the rational design of the next-generation slow-onset inhibitors with optimized pharmacokinetic properties for the treatment of Alzheimer's disease.

Preliminary results on noncollocated torque control of space robot actuators

NASA Technical Reports Server (NTRS)

Tilley, Scott W.; Francis, Colin M.; Emerick, Ken; Hollars, Michael G.

1989-01-01

In the Space Station era, more operations will be performed robotically in space in the areas of servicing, assembly, and experiment tending among others. These robots may have various sets of requirements for accuracy, speed, and force generation, but there will be design constraints such as size, mass, and power dissipation limits. For actuation, a leading motor candidate is a dc brushless type, and there are numerous potential drive trains each with its own advantages and disadvantages. This experiment uses a harmonic drive and addresses some inherent limitations, namely its backdriveability and low frequency structural resonances. These effects are controlled and diminished by instrumenting the actuator system with a torque transducer on the output shaft. This noncollocated loop is closed to ensure that the commanded torque is accurately delivered to the manipulator link. The actuator system is modelled and its essential parameters identified. The nonlinear model for simulations will include inertias, gearing, stiction, flexibility, and the effects of output load variations. A linear model is extracted and used for designing the noncollocated torque and position feedback loops. These loops are simulated with the structural frequency encountered in the testbed system. Simulation results are given for various commands in position. The use of torque feedback is demonstrated to yield superior performance in settling time and positioning accuracy. An experimental setup being finished consists of a bench mounted motor and harmonic drive actuator system. A torque transducer and two position encoders, each with sufficient resolution and bandwidth, will provide sensory information. Parameters of the physical system are being identified and matched to analytical predictions. Initial feedback control laws will be incorporated in the bench test equipment and various experiments run to validate the designs. The status of these experiments is given.

Therapeutic mechanisms of high-frequency stimulation in Parkinson's disease and neural restoration via loop-based reinforcement.

PubMed

Santaniello, Sabato; McCarthy, Michelle M; Montgomery, Erwin B; Gale, John T; Kopell, Nancy; Sarma, Sridevi V

2015-02-10

High-frequency deep brain stimulation (HFS) is clinically recognized to treat parkinsonian movement disorders, but its mechanisms remain elusive. Current hypotheses suggest that the therapeutic merit of HFS stems from increasing the regularity of the firing patterns in the basal ganglia (BG). Although this is consistent with experiments in humans and animal models of Parkinsonism, it is unclear how the pattern regularization would originate from HFS. To address this question, we built a computational model of the cortico-BG-thalamo-cortical loop in normal and parkinsonian conditions. We simulated the effects of subthalamic deep brain stimulation both proximally to the stimulation site and distally through orthodromic and antidromic mechanisms for several stimulation frequencies (20-180 Hz) and, correspondingly, we studied the evolution of the firing patterns in the loop. The model closely reproduced experimental evidence for each structure in the loop and showed that neither the proximal effects nor the distal effects individually account for the observed pattern changes, whereas the combined impact of these effects increases with the stimulation frequency and becomes significant for HFS. Perturbations evoked proximally and distally propagate along the loop, rendezvous in the striatum, and, for HFS, positively overlap (reinforcement), thus causing larger poststimulus activation and more regular patterns in striatum. Reinforcement is maximal for the clinically relevant 130-Hz stimulation and restores a more normal activity in the nuclei downstream. These results suggest that reinforcement may be pivotal to achieve pattern regularization and restore the neural activity in the nuclei downstream and may stem from frequency-selective resonant properties of the loop.

Therapeutic mechanisms of high-frequency stimulation in Parkinson’s disease and neural restoration via loop-based reinforcement

PubMed Central

Santaniello, Sabato; McCarthy, Michelle M.; Montgomery, Erwin B.; Gale, John T.; Kopell, Nancy; Sarma, Sridevi V.

2015-01-01

High-frequency deep brain stimulation (HFS) is clinically recognized to treat parkinsonian movement disorders, but its mechanisms remain elusive. Current hypotheses suggest that the therapeutic merit of HFS stems from increasing the regularity of the firing patterns in the basal ganglia (BG). Although this is consistent with experiments in humans and animal models of Parkinsonism, it is unclear how the pattern regularization would originate from HFS. To address this question, we built a computational model of the cortico-BG-thalamo-cortical loop in normal and parkinsonian conditions. We simulated the effects of subthalamic deep brain stimulation both proximally to the stimulation site and distally through orthodromic and antidromic mechanisms for several stimulation frequencies (20–180 Hz) and, correspondingly, we studied the evolution of the firing patterns in the loop. The model closely reproduced experimental evidence for each structure in the loop and showed that neither the proximal effects nor the distal effects individually account for the observed pattern changes, whereas the combined impact of these effects increases with the stimulation frequency and becomes significant for HFS. Perturbations evoked proximally and distally propagate along the loop, rendezvous in the striatum, and, for HFS, positively overlap (reinforcement), thus causing larger poststimulus activation and more regular patterns in striatum. Reinforcement is maximal for the clinically relevant 130-Hz stimulation and restores a more normal activity in the nuclei downstream. These results suggest that reinforcement may be pivotal to achieve pattern regularization and restore the neural activity in the nuclei downstream and may stem from frequency-selective resonant properties of the loop. PMID:25624501

LOOP- SIMULATION OF THE AUTOMATIC FREQUENCY CONTROL SUBSYSTEM OF A DIFFERENTIAL MINIMUM SHIFT KEYING RECEIVER

NASA Technical Reports Server (NTRS)

Davarian, F.

1994-01-01

The LOOP computer program was written to simulate the Automatic Frequency Control (AFC) subsystem of a Differential Minimum Shift Keying (DMSK) receiver with a bit rate of 2400 baud. The AFC simulated by LOOP is a first order loop configuration with a first order R-C filter. NASA has been investigating the concept of mobile communications based on low-cost, low-power terminals linked via geostationary satellites. Studies have indicated that low bit rate transmission is suitable for this application, particularly from the frequency and power conservation point of view. A bit rate of 2400 BPS is attractive due to its applicability to the linear predictive coding of speech. Input to LOOP includes the following: 1) the initial frequency error; 2) the double-sided loop noise bandwidth; 3) the filter time constants; 4) the amount of intersymbol interference; and 5) the bit energy to noise spectral density. LOOP output includes: 1) the bit number and the frequency error of that bit; 2) the computed mean of the frequency error; and 3) the standard deviation of the frequency error. LOOP is written in MS SuperSoft FORTRAN 77 for interactive execution and has been implemented on an IBM PC operating under PC DOS with a memory requirement of approximately 40K of 8 bit bytes. This program was developed in 1986.

Cross-correlation between EMG and center of gravity during quiet stance: theory and simulations.

PubMed

Kohn, André Fabio

2005-11-01

Several signal processing tools have been employed in the experimental study of the postural control system in humans. Among them, the cross-correlation function has been used to analyze the time relationship between signals such as the electromyogram and the horizontal projection of the center of gravity. The common finding is that the electromyogram precedes the biomechanical signal, a result that has been interpreted in different ways, for example, the existence of feedforward control or the preponderance of a velocity feedback. It is shown here, analytically and by simulation, that the cross-correlation function is dependent in a complicated way on system parameters and on noise spectra. Results similar to those found experimentally, e.g., electromyogram preceding the biomechanical signal may be obtained in a postural control model without any feedforward control and without any velocity feedback. Therefore, correct interpretations of experimentally obtained cross-correlation functions may require additional information about the system. The results extend to other biomedical applications where two signals from a closed loop system are cross-correlated.

Closed loop models for analyzing engineering requirements for simulators

NASA Technical Reports Server (NTRS)

Baron, S.; Muralidharan, R.; Kleinman, D.

1980-01-01

A closed loop analytic model, incorporating a model for the human pilot, (namely, the optimal control model) that would allow certain simulation design tradeoffs to be evaluated quantitatively was developed. This model was applied to a realistic flight control problem. The resulting model is used to analyze both overall simulation effects and the effects of individual elements. The results show that, as compared to an ideal continuous simulation, the discrete simulation can result in significant performance and/or workload penalties.

Mapping the Structural and Dynamical Features of Multiple p53 DNA Binding Domains: Insights into Loop 1 Intrinsic Dynamics

PubMed Central

Lukman, Suryani; Lane, David P.; Verma, Chandra S.

2013-01-01

The transcription factor p53 regulates cellular integrity in response to stress. p53 is mutated in more than half of cancerous cells, with a majority of the mutations localized to the DNA binding domain (DBD). In order to map the structural and dynamical features of the DBD, we carried out multiple copy molecular dynamics simulations (totaling 0.8 μs). Simulations show the loop 1 to be the most dynamic element among the DNA-contacting loops (loops 1-3). Loop 1 occupies two major conformational states: extended and recessed; the former but not the latter displays correlations in atomic fluctuations with those of loop 2 (~24 Å apart). Since loop 1 binds to the major groove whereas loop 2 binds to the minor groove of DNA, our results begin to provide some insight into the possible mechanism underpinning the cooperative nature of DBD binding to DNA. We propose (1) a novel mechanism underlying the dynamics of loop 1 and the possible tread-milling of p53 on DNA and (2) possible mutations on loop 1 residues to restore the transcriptional activity of an oncogenic mutation at a distant site. PMID:24324553

Cardiovascular simulator improvement: pressure versus volume loop assessment.

PubMed

Fonseca, Jeison; Andrade, Aron; Nicolosi, Denys E C; Biscegli, José F; Leme, Juliana; Legendre, Daniel; Bock, Eduardo; Lucchi, Julio Cesar

2011-05-01

This article presents improvement on a physical cardiovascular simulator (PCS) system. Intraventricular pressure versus intraventricular volume (PxV) loop was obtained to evaluate performance of a pulsatile chamber mimicking the human left ventricle. PxV loop shows heart contractility and is normally used to evaluate heart performance. In many heart diseases, the stroke volume decreases because of low heart contractility. This pathological situation must be simulated by the PCS in order to evaluate the assistance provided by a ventricular assist device (VAD). The PCS system is automatically controlled by a computer and is an auxiliary tool for VAD control strategies development. This PCS system is according to a Windkessel model where lumped parameters are used for cardiovascular system analysis. Peripheral resistance, arteries compliance, and fluid inertance are simulated. The simulator has an actuator with a roller screw and brushless direct current motor, and the stroke volume is regulated by the actuator displacement. Internal pressure and volume measurements are monitored to obtain the PxV loop. Left chamber internal pressure is directly obtained by pressure transducer; however, internal volume has been obtained indirectly by using a linear variable differential transformer, which senses the diaphragm displacement. Correlations between the internal volume and diaphragm position are made. LabVIEW integrates these signals and shows the pressure versus internal volume loop. The results that have been obtained from the PCS system show PxV loops at different ventricle elastances, making possible the simulation of pathological situations. A preliminary test with a pulsatile VAD attached to PCS system was made. © 2011, Copyright the Authors. Artificial Organs © 2011, International Center for Artificial Organs and Transplantation and Wiley Periodicals, Inc.

Technology transfer of operator-in-the-loop simulation

NASA Technical Reports Server (NTRS)

Yae, K. H.; Lin, H. C.; Lin, T. C.; Frisch, H. P.

1994-01-01

The technology developed for operator-in-the-loop simulation in space teleoperation has been applied to Caterpillar's backhoe, wheel loader, and off-highway truck. On an SGI workstation, the simulation integrates computer modeling of kinematics and dynamics, real-time computational and visualization, and an interface with the operator through the operator's console. The console is interfaced with the workstation through an IBM-PC in which the operator's commands were digitized and sent through an RS-232 serial port. The simulation gave visual feedback adequate for the operator in the loop, with the camera's field of vision projected on a large screen in multiple view windows. The view control can emulate either stationary or moving cameras. This simulator created an innovative engineering design environment by integrating computer software and hardware with the human operator's interactions. The backhoe simulation has been adopted by Caterpillar in building a virtual reality tool for backhoe design.

ORION Environmental Control and Life Support Systems Suit Loop and Pressure Control Analysis

NASA Technical Reports Server (NTRS)

Eckhardt, Brad; Conger, Bruce; Stambaugh, Imelda C.

2015-01-01

Under NASA's ORION Multi-Purpose Crew Vehicle (MPCV) Environmental Control and Life Support System (ECLSS) Project at Johnson Space Center's (JSC), the Crew and Thermal Systems Division has developed performance models of the air system using Thermal Desktop/FloCAD. The Thermal Desktop model includes an Air Revitalization System (ARS Loop), a Suit Loop, a Cabin Loop, and Pressure Control System (PCS) for supplying make-up gas (N2 and O2) to the Cabin and Suit Loop. The ARS and PCS are designed to maintain air quality at acceptable O2, CO2 and humidity levels as well as internal pressures in the vehicle Cabin and during suited operations. This effort required development of a suite of Thermal Desktop Orion ECLSS models to address the need for various simulation capabilities regarding ECLSS performance. An initial highly detailed model of the ARS Loop was developed in order to simulate rapid pressure transients (water hammer effects) within the ARS Loop caused by events such as cycling of the Pressurized Swing Adsorption (PSA) Beds and required high temporal resolution (small time steps) in the model during simulation. A second ECLSS model was developed to simulate events which occur over longer periods of time (over 30 minutes) where O2, CO2 and humidity levels, as well as internal pressures needed to be monitored in the cabin and for suited operations. Stand-alone models of the PCS and the Negative Pressure relief Valve (NPRV) were developed to study thermal effects within the PCS during emergency scenarios (Cabin Leak) and cabin pressurization during vehicle re-entry into Earth's atmosphere. Results from the Orion ECLSS models were used during Orion Delta-PDR (July, 2014) to address Key Design Requirements (KDR's) for Suit Loop operations for multiple mission scenarios.

Performance evaluation of digital phase-locked loops for advanced deep space transponders

NASA Technical Reports Server (NTRS)

Nguyen, T. M.; Hinedi, S. M.; Yeh, H.-G.; Kyriacou, C.

1994-01-01

The performances of the digital phase-locked loops (DPLL's) for the advanced deep-space transponders (ADT's) are investigated. DPLL's considered in this article are derived from the analog phase-locked loop, which is currently employed by the NASA standard deep space transponder, using S-domain to Z-domain mapping techniques. Three mappings are used to develop digital approximations of the standard deep space analog phase-locked loop, namely the bilinear transformation (BT), impulse invariant transformation (IIT), and step invariant transformation (SIT) techniques. The performance in terms of the closed loop phase and magnitude responses, carrier tracking jitter, and response of the loop to the phase offset (the difference between in incoming phase and reference phase) is evaluated for each digital approximation. Theoretical results of the carrier tracking jitter for command-on and command-off cases are then validated by computer simulation. Both theoretical and computer simulation results show that at high sampling frequency, the DPLL's approximated by all three transformations have the same tracking jitter. However, at low sampling frequency, the digital approximation using BT outperforms the others. The minimum sampling frequency for adequate tracking performance is determined for each digital approximation of the analog loop. In addition, computer simulation shows that the DPLL developed by BT provides faster response to the phase offset than IIT and SIT.

Flare particle acceleration in the interaction of twisted coronal flux ropes

NASA Astrophysics Data System (ADS)

Threlfall, J.; Hood, A. W.; Browning, P. K.

2018-03-01

Aim. The aim of this work is to investigate and characterise non-thermal particle behaviour in a three-dimensional (3D) magnetohydrodynamical (MHD) model of unstable multi-threaded flaring coronal loops. Methods: We have used a numerical scheme which solves the relativistic guiding centre approximation to study the motion of electrons and protons. The scheme uses snapshots from high resolution numerical MHD simulations of coronal loops containing two threads, where a single thread becomes unstable and (in one case) destabilises and merges with an additional thread. Results: The particle responses to the reconnection and fragmentation in MHD simulations of two loop threads are examined in detail. We illustrate the role played by uniform background resistivity and distinguish this from the role of anomalous resistivity using orbits in an MHD simulation where only one thread becomes unstable without destabilising further loop threads. We examine the (scalable) orbit energy gains and final positions recovered at different stages of a second MHD simulation wherein a secondary loop thread is destabilised by (and merges with) the first thread. We compare these results with other theoretical particle acceleration models in the context of observed energetic particle populations during solar flares.

The Dynamics of Voluntary Force Production in Afferented Muscle Influence Involuntary Tremor

PubMed Central

Laine, Christopher M.; Nagamori, Akira; Valero-Cuevas, Francisco J.

2016-01-01

Voluntary control of force is always marked by some degree of error and unsteadiness. Both neural and mechanical factors contribute to these fluctuations, but how they interact to produce them is poorly understood. In this study, we identify and characterize a previously undescribed neuromechanical interaction where the dynamics of voluntary force production suffice to generate involuntary tremor. Specifically, participants were asked to produce isometric force with the index finger and use visual feedback to track a sinusoidal target spanning 5–9% of each individual's maximal voluntary force level. Force fluctuations and EMG activity over the flexor digitorum superficialis (FDS) muscle were recorded and their frequency content was analyzed as a function of target phase. Force variability in either the 1–5 or 6–15 Hz frequency ranges tended to be largest at the peaks and valleys of the target sinusoid. In those same periods, FDS EMG activity was synchronized with force fluctuations. We then constructed a physiologically-realistic computer simulation in which a muscle-tendon complex was set inside of a feedback-driven control loop. Surprisingly, the model sufficed to produce phase-dependent modulation of tremor similar to that observed in humans. Further, the gain of afferent feedback from muscle spindles was critical for appropriately amplifying and shaping this tremor. We suggest that the experimentally-induced tremor may represent the response of a viscoelastic muscle-tendon system to dynamic drive, and therefore does not fall into known categories of tremor generation, such as tremorogenic descending drive, stretch-reflex loop oscillations, motor unit behavior, or mechanical resonance. Our findings motivate future efforts to understand tremor from a perspective that considers neuromechanical coupling within the context of closed-loop control. The strategy of combining experimental recordings with physiologically-sound simulations will enable thorough exploration of neural and mechanical contributions to force control in health and disease. PMID:27594832

Cardiac looping may be driven by compressive loads resulting from unequal growth of the heart and pericardial cavity. Observations on a physical simulation model

PubMed Central

Bayraktar, Meriç; Männer, Jörg

2014-01-01

The transformation of the straight embryonic heart tube into a helically wound loop is named cardiac looping. Such looping is regarded as an essential process in cardiac morphogenesis since it brings the building blocks of the developing heart into an approximation of their definitive topographical relationships. During the past two decades, a large number of genes have been identified which play important roles in cardiac looping. However, how genetic information is physically translated into the dynamic form changes of the looping heart is still poorly understood. The oldest hypothesis of cardiac looping mechanics attributes the form changes of the heart loop (ventral bending → simple helical coiling → complex helical coiling) to compressive loads resulting from growth differences between the heart and the pericardial cavity. In the present study, we have tested the physical plausibility of this hypothesis, which we call the growth-induced buckling hypothesis, for the first time. Using a physical simulation model, we show that growth-induced buckling of a straight elastic rod within the confined space of a hemispherical cavity can generate the same sequence of form changes as observed in the looping embryonic heart. Our simulation experiments have furthermore shown that, under bilaterally symmetric conditions, growth-induced buckling generates left- and right-handed helices (D-/L-loops) in a 1:1 ratio, while even subtle left- or rightward displacements of the caudal end of the elastic rod at the pre-buckling state are sufficient to direct the buckling process toward the generation of only D- or L-loops, respectively. Our data are discussed with respect to observations made in biological “models.” We conclude that compressive loads resulting from unequal growth of the heart and pericardial cavity play important roles in cardiac looping. Asymmetric positioning of the venous heart pole may direct these forces toward a biased generation of D- or L-loops. PMID:24772086

Research on Modelling of Aviation Piston Engine for the Hardware-in-the-loop Simulation

NASA Astrophysics Data System (ADS)

Yu, Bing; Shu, Wenjun; Bian, Wenchao

2016-11-01

In order to build the aero piston engine model which is real-time and accurate enough to operating conditions of the real engine for hardware in the loop simulation, the mean value model is studied. Firstly, the air-inlet model, the fuel model and the power-output model are established separately. Then, these sub models are combined and verified in MATLAB/SIMULINK. The results show that the model could reflect the steady-state and dynamic performance of aero engine, the errors between the simulation results and the bench test data are within the acceptable range. The model could be applied to verify the logic performance and control strategy of controller in the hardware-in-the-loop (HIL) simulation.

SILHIL Replication of Electric Aircraft Powertrain Dynamics and Inner-Loop Control for V&V of System Health Management Routines

NASA Technical Reports Server (NTRS)

Bole, Brian; Teubert, Christopher Allen; Cuong Chi, Quach; Hogge, Edward; Vazquez, Sixto; Goebel, Kai; George, Vachtsevanos

2013-01-01

Software-in-the-loop and Hardware-in-the-loop testing of failure prognostics and decision making tools for aircraft systems will facilitate more comprehensive and cost-effective testing than what is practical to conduct with flight tests. A framework is described for the offline recreation of dynamic loads on simulated or physical aircraft powertrain components based on a real-time simulation of airframe dynamics running on a flight simulator, an inner-loop flight control policy executed by either an autopilot routine or a human pilot, and a supervisory fault management control policy. The creation of an offline framework for verifying and validating supervisory failure prognostics and decision making routines is described for the example of battery charge depletion failure scenarios onboard a prototype electric unmanned aerial vehicle.

New method for estimating arterial pulse wave velocity at single site.

PubMed

Abdessalem, Khaled Ben; Flaud, Patrice; Zobaidi, Samir

2018-01-01

The clinical importance of measuring local pulse wave velocity (PWV), has encouraged researchers to develop several local methods to estimate it. In this work, we proposed a new method, the sum-of-squares method [Formula: see text], that allows the estimations of PWV by using simultaneous measurements of blood pressure (P) and arterial diameter (D) at single-location. Pulse waveforms generated by: (1) two-dimensional (2D) fluid-structure interaction simulation (FSI) in a compliant tube, (2) one-dimensional (1D) model of 55 larger human systemic arteries and (3) experimental data were used to validate the new formula and evaluate several classical methods. The performance of the proposed method was assessed by comparing its results to theoretical PWV calculated from the parameters of the model and/or to PWV estimated by several classical methods. It was found that values of PWV obtained by the developed method [Formula: see text] are in good agreement with theoretical ones and with those calculated by PA-loop and D 2 P-loop. The difference between the PWV calculated by [Formula: see text] and PA-loop does not exceed 1% when data from simulations are used, 3% when in vitro data are used and 5% when in vivo data are used. In addition, this study suggests that estimated PWV from arterial pressure and diameter waveforms provide correct values while methods that require flow rate (Q) and velocity (U) overestimate or underestimate PWV.

Validation of the second-generation Olympus colonoscopy simulator for skills assessment.

PubMed

Haycock, A V; Bassett, P; Bladen, J; Thomas-Gibson, S

2009-11-01

Simulators have potential value in providing objective evidence of technical skill for procedures within medicine. The aim of this study was to determine face and construct validity for the Olympus colonoscopy simulator and to establish which assessment measures map to clinical benchmarks of expertise. Thirty-four participants were recruited: 10 novices with no prior colonoscopy experience, 13 intermediate (trainee) endoscopists with fewer than 1000 previous colonoscopies, and 11 experienced endoscopists with more than 1000 previous colonoscopies. All participants completed three standardized cases on the simulator and experts gave feedback regarding the realism of the simulator. Forty metrics recorded automatically by the simulator were analyzed for their ability to distinguish between the groups. The simulator discriminated participants by experience level for 22 different parameters. Completion rates were lower for novices than for trainees and experts (37 % vs. 79 % and 88 % respectively, P < 0.001) and both novices and trainees took significantly longer to reach all major landmarks than the experts. Several technical aspects of competency were discriminatory; pushing with an embedded tip ( P = 0.03), correct use of the variable stiffness function ( P = 0.004), number of sigmoid N-loops ( P = 0.02); size of sigmoid N-loops ( P = 0.01), and time to remove alpha loops ( P = 0.004). Out of 10, experts rated the realism of movement at 6.4, force feedback at 6.6, looping at 6.6, and loop resolution at 6.8. The Olympus colonoscopy simulator has good face validity and excellent construct validity. It provides an objective assessment of colonoscopic skill on multiple measures and benchmarks have been set to allow its use as both a formative and a summative assessment tool. Georg Thieme Verlag KG Stuttgart. New York.

3D simulations of early blood vessel formation

NASA Astrophysics Data System (ADS)

Cavalli, F.; Gamba, A.; Naldi, G.; Semplice, M.; Valdembri, D.; Serini, G.

2007-08-01

Blood vessel networks form by spontaneous aggregation of individual cells migrating toward vascularization sites (vasculogenesis). A successful theoretical model of two-dimensional experimental vasculogenesis has been recently proposed, showing the relevance of percolation concepts and of cell cross-talk (chemotactic autocrine loop) to the understanding of this self-aggregation process. Here we study the natural 3D extension of the computational model proposed earlier, which is relevant for the investigation of the genuinely three-dimensional process of vasculogenesis in vertebrate embryos. The computational model is based on a multidimensional Burgers equation coupled with a reaction diffusion equation for a chemotactic factor and a mass conservation law. The numerical approximation of the computational model is obtained by high order relaxed schemes. Space and time discretization are performed by using TVD schemes and, respectively, IMEX schemes. Due to the computational costs of realistic simulations, we have implemented the numerical algorithm on a cluster for parallel computation. Starting from initial conditions mimicking the experimentally observed ones, numerical simulations produce network-like structures qualitatively similar to those observed in the early stages of in vivo vasculogenesis. We develop the computation of critical percolative indices as a robust measure of the network geometry as a first step towards the comparison of computational and experimental data.

The effective χ parameter in polarizable polymeric systems: One-loop perturbation theory and field-theoretic simulations.

PubMed

Grzetic, Douglas J; Delaney, Kris T; Fredrickson, Glenn H

2018-05-28

We derive the effective Flory-Huggins parameter in polarizable polymeric systems, within a recently introduced polarizable field theory framework. The incorporation of bead polarizabilities in the model self-consistently embeds dielectric response, as well as van der Waals interactions. The latter generate a χ parameter (denoted χ̃) between any two species with polarizability contrast. Using one-loop perturbation theory, we compute corrections to the structure factor Sk and the dielectric function ϵ^(k) for a polarizable binary homopolymer blend in the one-phase region of the phase diagram. The electrostatic corrections to S(k) can be entirely accounted for by a renormalization of the excluded volume parameter B into three van der Waals-corrected parameters B AA , B AB , and B BB , which then determine χ̃. The one-loop theory not only enables the quantitative prediction of χ̃ but also provides useful insight into the dependence of χ̃ on the electrostatic environment (for example, its sensitivity to electrostatic screening). The unapproximated polarizable field theory is amenable to direct simulation via complex Langevin sampling, which we employ here to test the validity of the one-loop results. From simulations of S(k) and ϵ^(k) for a system of polarizable homopolymers, we find that the one-loop theory is best suited to high concentrations, where it performs very well. Finally, we measure χ̃N in simulations of a polarizable diblock copolymer melt and obtain excellent agreement with the one-loop theory. These constitute the first fully fluctuating simulations conducted within the polarizable field theory framework.

The effective χ parameter in polarizable polymeric systems: One-loop perturbation theory and field-theoretic simulations

NASA Astrophysics Data System (ADS)

Grzetic, Douglas J.; Delaney, Kris T.; Fredrickson, Glenn H.

2018-05-01

We derive the effective Flory-Huggins parameter in polarizable polymeric systems, within a recently introduced polarizable field theory framework. The incorporation of bead polarizabilities in the model self-consistently embeds dielectric response, as well as van der Waals interactions. The latter generate a χ parameter (denoted χ ˜ ) between any two species with polarizability contrast. Using one-loop perturbation theory, we compute corrections to the structure factor S (k ) and the dielectric function ɛ ^ (k ) for a polarizable binary homopolymer blend in the one-phase region of the phase diagram. The electrostatic corrections to S(k) can be entirely accounted for by a renormalization of the excluded volume parameter B into three van der Waals-corrected parameters BAA, BAB, and BBB, which then determine χ ˜ . The one-loop theory not only enables the quantitative prediction of χ ˜ but also provides useful insight into the dependence of χ ˜ on the electrostatic environment (for example, its sensitivity to electrostatic screening). The unapproximated polarizable field theory is amenable to direct simulation via complex Langevin sampling, which we employ here to test the validity of the one-loop results. From simulations of S(k) and ɛ ^ (k ) for a system of polarizable homopolymers, we find that the one-loop theory is best suited to high concentrations, where it performs very well. Finally, we measure χ ˜ N in simulations of a polarizable diblock copolymer melt and obtain excellent agreement with the one-loop theory. These constitute the first fully fluctuating simulations conducted within the polarizable field theory framework.

Once-through integral system (OTIS): Final report

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

Gloudemans, J R

1986-09-01

A scaled experimental facility, designated the once-through integral system (OTIS), was used to acquire post-small break loss-of-coolant accident (SBLOCA) data for benchmarking system codes. OTIS was also used to investigate the application of the Abnormal Transient Operating Guidelines (ATOG) used in the Babcock and Wilcox (B and W) designed nuclear steam supply system (NSSS) during the course of an SBLOCA. OTIS was a single-loop facility with a plant to model power scale factor of 1686. OTIS maintained the key elevations, approximate component volumes, and loop flow resistances, and simulated the major component phenomena of a B and W raised-loop nuclearmore » plant. A test matrix consisting of 15 tests divided into four categories was performed. The largest group contained 10 tests and was defined to parametrically obtain an extensive set of plant-typical experimental data for code benchmarking. Parameters such as leak size, leak location, and high-pressure injection (HPI) shut-off head were individually varied. The remaining categories were specified to study the impact of the ATOGs (2 tests), to note the effect of guard heater operation on observed phenomena (2 tests), and to provide a data set for comparison with previous test experience (1 test). A summary of the test results and a detailed discussion of Test 220100 is presented. Test 220100 was the nominal or reference test for the parametric studies. This test was performed with a scaled 10-cm/sup 2/ leak located in the cold leg suction piping.« less

Based on optical fiber Michelson interferometer for acoustic emission detection experimental research

NASA Astrophysics Data System (ADS)

Liang, Yijun; Qu, Dandan; Deng, Hu

2013-08-01

A type of Michelson interferometer with two optical fiber loop reflectors acoustic emission sensor is proposed in the article to detect the vibrations produced by ultrasonic waves propagating in a solid body. Two optical fiber loop reflectors are equivalent to the sensing arm and the reference arm instead of traditional Michelson interferometer end reflecter Theoretical analyses indicate that the sensitivity of the system has been remarkably increased because of the decrease of the losses of light energy. The best operating point of optical fiber sensor is fixed by theoretical derivation and simulation of computer, and the signal frequency which is detected by the sensor is the frequency of input signal. PZT (Piezoelectric Ceramic) is powered by signal generator as known ultrasonic source, The Polarization controller is used to make the reflected light interference，The fiber length is changed by adjusting the DC voltage on the PZT with the fiber loop to make the sensor system response that ΔΦ is closed to π/2. the signal basis frequency detected by the sensor is the frequency of the input signal. Then impacts the surface of the marble slab with home-made mechanical acoustic emission source. And detect it. and then the frequency characteristic of acoustic emission signal is obtained by Fourier technique. The experimental results indicate that the system can identify the frequency characteristic of acoustic emission signal, and it can be also used to detect the surface feeble vibration which is generated by ultrasonic waves propagating in material structure.

F-14 modeling study

NASA Technical Reports Server (NTRS)

Levison, W. H.; Baron, S.

1984-01-01

Preliminary results in the application of a closed loop pilot/simulator model to the analysis of some simulator fidelity issues are discussed in the context of an air to air target tracking task. The closed loop model is described briefly. Then, problem simplifications that are employed to reduce computational costs are discussed. Finally, model results showing sensitivity of performance to various assumptions concerning the simulator and/or the pilot are presented.

A control theoretic model of driver steering behavior

NASA Technical Reports Server (NTRS)

Donges, E.

1977-01-01

A quantitative description of driver steering behavior such as a mathematical model is presented. The steering task is divided into two levels: (1) the guidance level involving the perception of the instantaneous and future course of the forcing function provided by the forward view of the road, and the response to it in an anticipatory open-loop control mode; (2) the stabilization level whereby any occuring deviations from the forcing function are compensated for in a closed-loop control mode. This concept of the duality of the driver's steering activity led to a newly developed two-level model of driver steering behavior. Its parameters are identified on the basis of data measured in driving simulator experiments. The parameter estimates of both levels of the model show significant dependence on the experimental situation which can be characterized by variables such as vehicle speed and desired path curvature.

Micromechanical torsional digital-to-analog converter for open-loop angular positioning applications

NASA Astrophysics Data System (ADS)

Zhou, Guangya; Tay, Francis E. H.; Chau, Fook Siong; Zhao, Yi; Logeeswaran, VJ

2004-05-01

This paper reports a novel micromechanical torsional digital-to-analog converter (MTDAC), operated in open-loop with digitally controlled precise multi-level tilt angles. The MTDAC mechanism presented is analogous to that of an electrical binary-weighted-input digital-to-analog converter (DAC). It consists of a rigid tunable platform, an array of torsional microactuators, each operating in a two-state (on/off) mode, and a set of connection beams with binary-weighted torsional stiffnesses that connect the actuators to the platform. The feasibility of the proposed MTDAC mechanism was verified numerically by finite element simulations and experimentally with a commercial optical phase-shifting interferometric system. A prototype 2-bit MTDAC was implemented using the poly-MUMPS process achieving a full-scale output tilt angle of 1.92° with a rotation step of 0.64°. This mechanism can be configured for many promising applications, particularly in beam steering-based OXC switches.

Science& Technology Review March 2004

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

McMahon, D H

2004-01-23

This month's issue has the following articles: (1) ''Rethinking Atoms for Peace and the Future of Nuclear Technology'' a commentary by Ronald F. Lehman II; (2) ''Rich Legacy from Atoms for Peace'' In 1953, President Eisenhower encouraged world leaders to pursue peaceful uses of nuclear technology. Many of Livermore's contributions in the spirit of this initiative continue to benefit society today. (3) ''Tropopause Height Becomes Another Climate-Change Fingerprint'' Simulations and observational data show that human activities are largely responsible for the steady elevation of the tropopause, the boundary between the troposphere and the stratosphere. (4) ''A Better Method for Certifyingmore » the Nuclear Stockpile'' Livermore and Los Alamos are developing a common framework for evaluating the reliability and safety of nuclear weapons. (5) ''Observing How Proteins Loop the Loop'' A new experimental method developed at Livermore allows scientists to monitor the folding processes of proteins, one molecule at a time.« less

Single link flexible beam testbed project. Thesis

NASA Technical Reports Server (NTRS)

Hughes, Declan

1992-01-01

This thesis describes the single link flexible beam testbed at the CLaMS laboratory in terms of its hardware, software, and linear model, and presents two controllers, each including a hub angle proportional-derivative (PD) feedback compensator and one augmented by a second static gain full state feedback loop, based upon a synthesized strictly positive real (SPR) output, that increases specific flexible mode pole damping ratios w.r.t the PD only case and hence reduces unwanted residual oscillation effects. Restricting full state feedback gains so as to produce a SPR open loop transfer function ensures that the associated compensator has an infinite gain margin and a phase margin of at least (-90, 90) degrees. Both experimental and simulation data are evaluated in order to compare some different observer performance when applied to the real testbed and to the linear model when uncompensated flexible modes are included.

Solar heat collector-generator for cooling purposes

NASA Astrophysics Data System (ADS)

Abdullah, K.

1982-01-01

The performance of an experimental LiBr-H2O solar collector powered absorption cooling system is described. A numerical model was developed of the energy, mass, and momentum balances across the heat-exchange loop to obtain the refrigerant vapor generation rate. The mechanism works by the thermosiphon principle, which eliminates mechanical devices from the loop. All leaks were fixed before measurements began with a test apparatus comprising a pyrex tube 1.87 m long with a 2.7 i.d. The refrigerant flow rate was monitored, along with temperature changes in the fluid and across the tube. Bubble initiation was observed from the free surface extending downward in the tube. Reynolds numbers varied from 6-43 in the liquid phase and 81-204 in the vapor phase. A formulation was made for the low-velocity two-phase flow and good agreement was demonstrated with the simulation.

Preisach modeling of piezoceramic and shape memory alloy hysteresis

NASA Astrophysics Data System (ADS)

Hughes, Declan; Wen, John T.

1997-06-01

Smart materials such as piezoceramics, magnetostrictive materials, and shape memory alloys exhibit hysteresis, and the larger the input signal the larger the effect. Hysteresis can lead to unwanted harmonics, inaccuracy in open loop control, and instability in closed loop control. The Preisach independent domain hysteresis model has been shown to capture the major features of hysteresis arising in ferromagnetic materials. Noting the similarity between the microscopic domain kinematics that generate static hysteresis effects in ferromagnetics, piezoceramics, and shape memory alloys (SMAs), we apply the Preisach model for the hysteresis in piezoceramic and shape memory alloy materials. This paper reviews the basic properties of the Preisach model, discusses control-theoretic issues such as identification, simulation, and inversion, and presents experimental results for piezoceramic sheet actuators bonded to a flexible aluminum beam, and a Nitinol SMA wire muscle that applies a bending force to the end of a beam.

Preisach modeling of piezoceramic and shape memory alloy hysteresis

NASA Astrophysics Data System (ADS)

Hughes, Declan C.; Wen, John T.

1996-05-01

Smart materials such as piezoceramics, magnetostrictive materials, and shape memory alloys exhibit significant hysteresis, especially when driven with large input signals. Hysteresis can lead to unwanted harmonics, inaccuracy in open loop control, and instability in closed loop control. The Preisach independent domain hysteresis model has been shown to capture the major features of hysteresis arising in ferromagnetic materials. Noting the similarity between the microscopic domain kinematics that generate static hysteresis effects in ferromagnetics, piezoceramics, and shape memory alloys, we apply the Preisach model for the hysteresis in piezoceramic and shape memory alloy materials. This paper reviews the basic properties of the Preisach model, discusses control-theoretic issues such as identification, simulation, and inversion, and presents experimental results for piezoceramic sheet actuators bonded to a flexible aluminum beam, and a Nitinol SMA wire muscle that applies a bending force to the end of a beam.

Simulations of fully deformed oscillating flux tubes

NASA Astrophysics Data System (ADS)

Karampelas, K.; Van Doorsselaere, T.

2018-02-01

Context. In recent years, a number of numerical studies have been focusing on the significance of the Kelvin-Helmholtz instability in the dynamics of oscillating coronal loops. This process enhances the transfer of energy into smaller scales, and has been connected with heating of coronal loops, when dissipation mechanisms, such as resistivity, are considered. However, the turbulent layer is expected near the outer regions of the loops. Therefore, the effects of wave heating are expected to be confined to the loop's external layers, leaving their denser inner parts without a heating mechanism. Aim. In the current work we aim to study the spatial evolution of wave heating effects from a footpoint driven standing kink wave in a coronal loop. Methods: Using the MPI-AMRVAC code, we performed ideal, three dimensional magnetohydrodynamic simulations of footpoint driven transverse oscillations of a cold, straight coronal flux tube, embedded in a hotter environment. We have also constructed forward models for our simulation using the FoMo code. Results: The developed transverse wave induced Kelvin-Helmholtz (TWIKH) rolls expand throughout the tube cross-section, and cover it entirely. This turbulence significantly alters the initial density profile, leading to a fully deformed cross section. As a consequence, the resistive and viscous heating rate both increase over the entire loop cross section. The resistive heating rate takes its maximum values near the footpoints, while the viscous heating rate at the apex. Conclusions: We conclude that even a monoperiodic driver can spread wave heating over the whole loop cross section, potentially providing a heating source in the inner loop region. Despite the loop's fully deformed structure, forward modelling still shows the structure appearing as a loop. A movie attached to Fig. 1 is available at http://https://www.aanda.org

Hard real-time closed-loop electrophysiology with the Real-Time eXperiment Interface (RTXI)

PubMed Central

George, Ansel; Dorval, Alan D.; Christini, David J.

2017-01-01

The ability to experimentally perturb biological systems has traditionally been limited to static pre-programmed or operator-controlled protocols. In contrast, real-time control allows dynamic probing of biological systems with perturbations that are computed on-the-fly during experimentation. Real-time control applications for biological research are available; however, these systems are costly and often restrict the flexibility and customization of experimental protocols. The Real-Time eXperiment Interface (RTXI) is an open source software platform for achieving hard real-time data acquisition and closed-loop control in biological experiments while retaining the flexibility needed for experimental settings. RTXI has enabled users to implement complex custom closed-loop protocols in single cell, cell network, animal, and human electrophysiology studies. RTXI is also used as a free and open source, customizable electrophysiology platform in open-loop studies requiring online data acquisition, processing, and visualization. RTXI is easy to install, can be used with an extensive range of external experimentation and data acquisition hardware, and includes standard modules for implementing common electrophysiology protocols. PMID:28557998

New understanding of nano-scale interstitial dislocation loops in BCC iron

NASA Astrophysics Data System (ADS)

Gao, N.; Chen, J.; Kurtz, R. J.; Wang, Z. G.; Zhang, R. F.; Gao, F.

2017-11-01

Complex states of nanoscale interstitial dislocation loop can be described by its habit plane and Burgers vector. Using atomistic simulations, we provide direct evidences on the change of the habit plane of a 1/2〈1 1 1〉 loop from {1 1 1} to {1 1 0} and {2 1 1}, in agreement with TEM observations. A new {1 0 0} habit plane of this loop is also predicted by simulations. The non-conservation of the Burgers vector is approved theoretically for: (1) dislocation reactions between loops with different Burgers vectors and (2) the transition between 〈1 0 0〉 loops and 1/2〈1 1 1〉 loops. The rotation from a 1/2〈1 1 1〉 to a 〈1 0 0〉 loop has also been explored, which occurs at 570 K for time on the order of 10 s. The dislocation-precipitate phase duality and change of habit plane are then proposed as new features for nano-scale dislocation loops.

Flight Technical Error Analysis of the SATS Higher Volume Operations Simulation and Flight Experiments

NASA Technical Reports Server (NTRS)

Williams, Daniel M.; Consiglio, Maria C.; Murdoch, Jennifer L.; Adams, Catherine H.

2005-01-01

This paper provides an analysis of Flight Technical Error (FTE) from recent SATS experiments, called the Higher Volume Operations (HVO) Simulation and Flight experiments, which NASA conducted to determine pilot acceptability of the HVO concept for normal operating conditions. Reported are FTE results from simulation and flight experiment data indicating the SATS HVO concept is viable and acceptable to low-time instrument rated pilots when compared with today s system (baseline). Described is the comparative FTE analysis of lateral, vertical, and airspeed deviations from the baseline and SATS HVO experimental flight procedures. Based on FTE analysis, all evaluation subjects, low-time instrument-rated pilots, flew the HVO procedures safely and proficiently in comparison to today s system. In all cases, the results of the flight experiment validated the results of the simulation experiment and confirm the utility of the simulation platform for comparative Human in the Loop (HITL) studies of SATS HVO and Baseline operations.

Development of a hardware-in-the-loop testbed to demonstrate multiple spacecraft operations in proximity

NASA Astrophysics Data System (ADS)

Eun, Youngho; Park, Sang-Young; Kim, Geuk-Nam

2018-06-01

This paper presents a new state-of-the-art ground-based hardware-in-the-loop test facility, which was developed to verify and demonstrate autonomous guidance, navigation, and control algorithms for space proximity operations and formation flying maneuvers. The test facility consists of two complete spaceflight simulators, an aluminum-based operational arena, and a set of infrared motion tracking cameras; thus, the testbed is capable of representing space activities under circumstances prevailing on the ground. The spaceflight simulators have a maximum of five-degree-of-freedom in a quasi-momentum-free environment, which is produced by a set of linear/hemispherical air-bearings and a horizontally leveled operational arena. The tracking system measures the real-time three-dimensional position and attitude to provide state variables to the agents. The design of the testbed is illustrated in detail for every element throughout the paper. The practical hardware characteristics of the active/passive measurement units and internal actuators are identified in detail from various perspectives. These experimental results support the successful development of the entire facility and enable us to implement and verify the spacecraft proximity operation strategy in the near future.

Magnetic Vortices in Nanodisks: What are the implications in macroscopic magnetic properties?

NASA Astrophysics Data System (ADS)

Gelvez Pedroza, Ciro Fernando; Patino, Edgar J.; Superconductivity; Nanodevices Laboratory Team

The study of nanodevices is of great importance nowadays. In particular nanodisks present extraordinary properties when varying their size, shape and materials. One of the most interesting ones has been the presence of magnetic vortices which are normally not present in continuous films or bulk materials. For that reason, these constitute of great interest in potential applications such as data storage, binary logic gates or nano-plasmonics. Although there are many high cost methods for fabrication we have chosen a low cost technique based on Colloidal Lithography. Using Polystyrene Nanoparticles (100nm) nanodisks of about 180 nm in diameter have been grown using Electron Beam evaporation. The fabrication technique requires a number of steps such as spin coating, oxygen plasma and Ion Beam Etching. The samples obtained with this method were Ti/Co/Nb nanodisks with various thickness of the Co layer. Micromagnetic simulations were carried out in OOMMF giving magnetic domain structure and hysteresis loops which were later compared with those obtained experimentally using Vibrating Sample Magnetometry. Simulation results suggest a critical thickness for the appearance of magnetic vortices, revealed by hysteresis loops with substantially lower coercive fields. Facultad de Ciencias,Vicerrectoria de Investigaciones - Universidad de los Andes.

Microbial Community Dynamics of a Simulated Chloraminated Drinking Water Distribution System Subjected to Episodes of Nitrification

EPA Science Inventory

Bacterial populations were examined in a simulated chloraminated drinking water distribution system (i.e. loop). The loop (BW-AB-I) received chlorinated municipal water (BW-C) amended with ammonia (2mg/L monochloramine). After six years of continuous operation, the operational ...

Performance of a modified feedback loop adaptive array with TVRO satellite signals

NASA Technical Reports Server (NTRS)

Steadman, Karl N.; Gupta, Inder J.; Walton, Eric K.

1990-01-01

Performance of an experimental adaptive antenna array system is evaluated using television receive-only (TVRO) satellite signals. The experimental system is a sidelobe canceller with two auxiliary channels. Modified feedback loops are used to enhance the suppression of weak interfering signals. The modified feedback loops used two spatialy separated antennas, each with an individual amplifier for each auxiliary channel. Thus, the experimental system uses five antenna elements. Instead of using five separate antennas, a reflector antenna with multiple feeds is used to receive signals from various TVRO satellites. The details of the earth station are given. It is shown that the experimental system can null up to two signals originating from interfering TVRO satellites while receiving the signals from a desired TVRO satellite.

Numerical modeling of dynamics of heart rate and arterial pressure during passive orthostatic test

NASA Astrophysics Data System (ADS)

Ishbulatov, Yu. M.; Kiselev, A. R.; Karavaev, A. S.

2018-04-01

A model of human cardiovascular system is proposed to describe the main heart rhythm, influence of autonomous regulation on frequency and strength of heart contractions and resistance of arterial vessels; process of formation of arterial pressure during systolic and diastolic phases; influence of respiration; synchronization between loops of autonomous regulation. The proposed model is used to simulate the dynamics of heart rate and arterial pressure during passive transition from supine to upright position. Results of mathematical modeling are compared to original experimental data.

Adaptive identification and control of structural dynamics systems using recursive lattice filters

NASA Technical Reports Server (NTRS)

Sundararajan, N.; Montgomery, R. C.; Williams, J. P.

1985-01-01

A new approach for adaptive identification and control of structural dynamic systems by using least squares lattice filters thar are widely used in the signal processing area is presented. Testing procedures for interfacing the lattice filter identification methods and modal control method for stable closed loop adaptive control are presented. The methods are illustrated for a free-free beam and for a complex flexible grid, with the basic control objective being vibration suppression. The approach is validated by using both simulations and experimental facilities available at the Langley Research Center.

PDCI Wide-Area Damping Control: PSLF Simulations of the 2016 Open and Closed Loop Test Plan

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

Wilches Bernal, Felipe; Pierre, Brian Joseph; Elliott, Ryan Thomas

To demonstrate and validate the performance of the wide-are a damping control system, the project plans to conduct closed-loop tests on the PDCI in summer/fall 2016. A test plan details the open and closed loop tests to be conducted on the P DCI using the wide-area damping control system. To ensure the appropriate level of preparedness, simulations were performed in order to predict and evaluate any possible unsafe operations before hardware experiments are attempted. This report contains the result s from these simulations using the power system dynamics software PSLF (Power System Load Flow, trademark of GE). The simulations usemore » the WECC (Western Electricity Coordinating Council) 2016 light summer and heavy summer base cases.« less

Structure and Dynamics Analysis on Plexin-B1 Rho GTPase Binding Domain as a Monomer and Dimer

PubMed Central

2015-01-01

Plexin-B1 is a single-pass transmembrane receptor. Its Rho GTPase binding domain (RBD) can associate with small Rho GTPases and can also self-bind to form a dimer. In total, more than 400 ns of NAMD molecular dynamics simulations were performed on RBD monomer and dimer. Different analysis methods, such as root mean squared fluctuation (RMSF), order parameters (S2), dihedral angle correlation, transfer entropy, principal component analysis, and dynamical network analysis, were carried out to characterize the motions seen in the trajectories. RMSF results show that after binding, the L4 loop becomes more rigid, but the L2 loop and a number of residues in other regions become slightly more flexible. Calculating order parameters (S2) for CH, NH, and CO bonds on both backbone and side chain shows that the L4 loop becomes essentially rigid after binding, but part of the L1 loop becomes slightly more flexible. Backbone dihedral angle cross-correlation results show that loop regions such as the L1 loop including residues Q25 and G26, the L2 loop including residue R61, and the L4 loop including residues L89–R91, are highly correlated compared to other regions in the monomer form. Analysis of the correlated motions at these residues, such as Q25 and R61, indicate two signal pathways. Transfer entropy calculations on the RBD monomer and dimer forms suggest that the binding process should be driven by the L4 loop and C-terminal. However, after binding, the L4 loop functions as the motion responder. The signal pathways in RBD were predicted based on a dynamical network analysis method using the pathways predicted from the dihedral angle cross-correlation calculations as input. It is found that the shortest pathways predicted from both inputs can overlap, but signal pathway 2 (from F90 to R61) is more dominant and overlaps all of the routes of pathway 1 (from F90 to P111). This project confirms the allosteric mechanism in signal transmission inside the RBD network, which was in part proposed in the previous experimental study. PMID:24901636

Mechanical-thermal noise in drive-mode of a silicon micro-gyroscope.

PubMed

Yang, Bo; Wang, Shourong; Li, Hongsheng; Zhou, Bailing

2009-01-01

A new closed-loop drive scheme which decouples the phase and the gain of the closed-loop driving system was designed in a Silicon Micro-Gyroscope (SMG). We deduce the system model of closed-loop driving and use stochastic averaging to obtain an approximate "slow" system that clarifies the effect of thermal noise. The effects of mechanical-thermal noise on the driving performance of the SMG, including the noise spectral density of the driving amplitude and frequency, are derived. By calculating and comparing the noise amplitude due to thermal noise both in the opened-loop driving and in the closed-loop driving, we find that the closed-loop driving does not reduce the RMS noise amplitude. We observe that the RMS noise frequency can be reduced by increasing the quality factor and the drive amplitude in the closed-loop driving system. The experiment and simulation validate the feasibility of closed-loop driving and confirm the validity of the averaged equation and its stablility criterion. The experiment and simulation results indicate the electrical noise of closed-loop driving circuitry is bigger than the mechanical-thermal noise and as the driving mass decreases, the mechanical-thermal noise may get bigger than the electrical noise of the closed-loop driving circuitry.

A loop-gap resonator for chirality-sensitive nuclear magneto-electric resonance (NMER)

NASA Astrophysics Data System (ADS)

Garbacz, Piotr; Fischer, Peer; Krämer, Steffen

2016-09-01

Direct detection of molecular chirality is practically impossible by methods of standard nuclear magnetic resonance (NMR) that is based on interactions involving magnetic-dipole and magnetic-field operators. However, theoretical studies provide a possible direct probe of chirality by exploiting an enantiomer selective additional coupling involving magnetic-dipole, magnetic-field, and electric field operators. This offers a way for direct experimental detection of chirality by nuclear magneto-electric resonance (NMER). This method uses both resonant magnetic and electric radiofrequency (RF) fields. The weakness of the chiral interaction though requires a large electric RF field and a small transverse RF magnetic field over the sample volume, which is a non-trivial constraint. In this study, we present a detailed study of the NMER concept and a possible experimental realization based on a loop-gap resonator. For this original device, the basic principle and numerical studies as well as fabrication and measurements of the frequency dependence of the scattering parameter are reported. By simulating the NMER spin dynamics for our device and taking the 19F NMER signal of enantiomer-pure 1,1,1-trifluoropropan-2-ol, we predict a chirality induced NMER signal that accounts for 1%-5% of the standard achiral NMR signal.

Airborne Use of Traffic Intent Information in a Distributed Air-Ground Traffic Management Concept: Experiment Design and Preliminary Results

NASA Technical Reports Server (NTRS)

Wing, David J.; Adams, Richard J.; Duley, Jacqueline A.; Legan, Brian M.; Barmore, Bryan E.; Moses, Donald

2001-01-01

A predominant research focus in the free flight community has been on the type of information required on the flight deck to enable pilots to "autonomously" maintain separation from other aircraft. At issue are the relative utility and requirement for information exchange between aircraft regarding the current "state" and/or the "intent" of each aircraft. This paper presents the experimental design and some initial findings of an experimental research study designed to provide insight into the issue of intent information exchange in constrained en-route operations and its effect on pilot decision making and flight performance. Two operational modes for autonomous operations were compared in a piloted simulation. The tactical mode was characterized primarily by the use of state information for conflict detection and resolution and an open-loop means for the pilot to meet operational constraints. The strategic mode involved the combined use of state and intent information, provided the pilot an additional level of alerting, and allowed a closed-loop approach to meeting operational constraints. Potential operational benefits of both modes are illustrated through several scenario case studies. Subjective data results are presented that generally indicate pilot consensus in favor of the strategic mode.

FIND: difFerential chromatin INteractions Detection using a spatial Poisson process

PubMed Central

Chen, Yang; Zhang, Michael Q.

2018-01-01

Polymer-based simulations and experimental studies indicate the existence of a spatial dependency between the adjacent DNA fibers involved in the formation of chromatin loops. However, the existing strategies for detecting differential chromatin interactions assume that the interacting segments are spatially independent from the other segments nearby. To resolve this issue, we developed a new computational method, FIND, which considers the local spatial dependency between interacting loci. FIND uses a spatial Poisson process to detect differential chromatin interactions that show a significant difference in their interaction frequency and the interaction frequency of their neighbors. Simulation and biological data analysis show that FIND outperforms the widely used count-based methods and has a better signal-to-noise ratio. PMID:29440282

Evolution of irradiation-induced strain in an equiatomic NiFe alloy

DOE PAGES

Ullah, Mohammad W.; Zhang, Yanwen; Sellami, Neila; ...

2017-07-10

Here, we investigate the formation and accumulation of irradiation-induced atomic strain in an equiatomic NiFe concentrated solid-solution alloy using both atomistic simulations and x-ray diffraction (XRD) analysis of irradiated samples. Experimentally, the irradiations are performed using 1.5 MeV Ni ions to fluences ranging from 1 × 10 13 to 1 × 10 14 cm -2. The irradiation simulations are carried out by overlapping 5 keV Ni recoils cascades up to a total of 300 recoils. An increase of volumetric strain is observed at low dose, which is associated with production of point defects and small clusters. A relaxation of strainmore » occurs at higher doses, when large defect clusters, like dislocation loops, dominate.« less

Lessons Learned and Flight Results from the F15 Intelligent Flight Control System Project

NASA Technical Reports Server (NTRS)

Bosworth, John

2006-01-01

A viewgraph presentation on the lessons learned and flight results from the F15 Intelligent Flight Control System (IFCS) project is shown. The topics include: 1) F-15 IFCS Project Goals; 2) Motivation; 3) IFCS Approach; 4) NASA F-15 #837 Aircraft Description; 5) Flight Envelope; 6) Limited Authority System; 7) NN Floating Limiter; 8) Flight Experiment; 9) Adaptation Goals; 10) Handling Qualities Performance Metric; 11) Project Phases; 12) Indirect Adaptive Control Architecture; 13) Indirect Adaptive Experience and Lessons Learned; 14) Gen II Direct Adaptive Control Architecture; 15) Current Status; 16) Effect of Canard Multiplier; 17) Simulated Canard Failure Stab Open Loop; 18) Canard Multiplier Effect Closed Loop Freq. Resp.; 19) Simulated Canard Failure Stab Open Loop with Adaptation; 20) Canard Multiplier Effect Closed Loop with Adaptation; 21) Gen 2 NN Wts from Simulation; 22) Direct Adaptive Experience and Lessons Learned; and 23) Conclusions

Studies of uranium-sodium suspensions. Part I. Construction and operation of experimental loop

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

Bett, F L; Hilditch, R J; Mepham, R G

1961-08-01

An experimnental uranium- sodium suspension loop was operated for 4320 hr. The design, construction, commissioning, and operation of the loop to the point where a comnplete stable suspension was obtained is described.

Magnetic flux pumping in 3D nonlinear magnetohydrodynamic simulations

NASA Astrophysics Data System (ADS)

Krebs, I.; Jardin, S. C.; Günter, S.; Lackner, K.; Hoelzl, M.; Strumberger, E.; Ferraro, N.

2017-10-01

A self-regulating magnetic flux pumping mechanism in tokamaks that maintains the core safety factor at q ≈1 , thus preventing sawteeth, is analyzed in nonlinear 3D magnetohydrodynamic simulations using the M3D-C1 code. In these simulations, the most important mechanism responsible for the flux pumping is that a saturated (m =1 ,n =1 ) quasi-interchange instability generates an effective negative loop voltage in the plasma center via a dynamo effect. It is shown that sawtoothing is prevented in the simulations if β is sufficiently high to provide the necessary drive for the (m =1 ,n =1 ) instability that generates the dynamo loop voltage. The necessary amount of dynamo loop voltage is determined by the tendency of the current density profile to centrally peak which, in our simulations, is controlled by the peakedness of the applied heat source profile.

Real-Time Hardware-in-the-Loop Simulation of Ares I Launch Vehicle

NASA Technical Reports Server (NTRS)

Tobbe, Patrick; Matras, Alex; Walker, David; Wilson, Heath; Fulton, Chris; Alday, Nathan; Betts, Kevin; Hughes, Ryan; Turbe, Michael

2009-01-01

The Ares Real-Time Environment for Modeling, Integration, and Simulation (ARTEMIS) has been developed for use by the Ares I launch vehicle System Integration Laboratory at the Marshall Space Flight Center. The primary purpose of the Ares System Integration Laboratory is to test the vehicle avionics hardware and software in a hardware - in-the-loop environment to certify that the integrated system is prepared for flight. ARTEMIS has been designed to be the real-time simulation backbone to stimulate all required Ares components for verification testing. ARTE_VIIS provides high -fidelity dynamics, actuator, and sensor models to simulate an accurate flight trajectory in order to ensure realistic test conditions. ARTEMIS has been designed to take advantage of the advances in underlying computational power now available to support hardware-in-the-loop testing to achieve real-time simulation with unprecedented model fidelity. A modular realtime design relying on a fully distributed computing architecture has been implemented.

Magnetic flux pumping in 3D nonlinear magnetohydrodynamic simulations

DOE PAGES

Krebs, I.; Jardin, S. C.; Gunter, S.; ...

2017-09-27

A self-regulating magnetic flux pumping mechanism in tokamaks that maintains the core safety factor at q≈1, thus preventing sawteeth, is analyzed in nonlinear 3D magnetohydrodynamic simulations using the M3D-C1 code. In these simulations, the most important mechanism responsible for the flux pumping is that a saturated (m=1,n=1) quasi-interchange instability generates an effective negative loop voltage in the plasma center via a dynamo effect. It is shown that sawtoothing is prevented in the simulations if β is sufficiently high to provide the necessary drive for the (m=1,n=1) instability that generates the dynamo loop voltage. In conclusion, the necessary amount of dynamomore » loop voltage is determined by the tendency of the current density profile to centrally peak which, in our simulations, is controlled by the peakedness of the applied heat source profile.« less

Development of a Simulation Capability for the Space Station Active Rack Isolation System

NASA Technical Reports Server (NTRS)

Johnson, Terry L.; Tolson, Robert H.

1998-01-01

To realize quality microgravity science on the International Space Station, many microgravity facilities will utilize the Active Rack Isolation System (ARIS). Simulation capabilities for ARIS will be needed to predict the microgravity environment. This paper discusses the development of a simulation model for use in predicting the performance of the ARIS in attenuating disturbances with frequency content between 0.01 Hz and 10 Hz. The derivation of the model utilizes an energy-based approach. The complete simulation includes the dynamic model of the ISPR integrated with the model for the ARIS controller so that the entire closed-loop system is simulated. Preliminary performance predictions are made for the ARIS in attenuating both off-board disturbances as well as disturbances from hardware mounted onboard the microgravity facility. These predictions suggest that the ARIS does eliminate resonant behavior detrimental to microgravity experimentation. A limited comparison is made between the simulation predictions of ARIS attenuation of off-board disturbances and results from the ARIS flight test. These comparisons show promise, but further tuning of the simulation is needed.

A new modelling and identification scheme for time-delay systems with experimental investigation: a relay feedback approach

NASA Astrophysics Data System (ADS)

Pandey, Saurabh; Majhi, Somanath; Ghorai, Prasenjit

2017-07-01

In this paper, the conventional relay feedback test has been modified for modelling and identification of a class of real-time dynamical systems in terms of linear transfer function models with time-delay. An ideal relay and unknown systems are connected through a negative feedback loop to bring the sustained oscillatory output around the non-zero setpoint. Thereafter, the obtained limit cycle information is substituted in the derived mathematical equations for accurate identification of unknown plants in terms of overdamped, underdamped, critically damped second-order plus dead time and stable first-order plus dead time transfer function models. Typical examples from the literature are included for the validation of the proposed identification scheme through computer simulations. Subsequently, the comparisons between estimated model and true system are drawn through integral absolute error criterion and frequency response plots. Finally, the obtained output responses through simulations are verified experimentally on real-time liquid level control system using Yokogawa Distributed Control System CENTUM CS3000 set up.

Fast Bayesian experimental design: Laplace-based importance sampling for the expected information gain

NASA Astrophysics Data System (ADS)

Beck, Joakim; Dia, Ben Mansour; Espath, Luis F. R.; Long, Quan; Tempone, Raúl

2018-06-01

In calculating expected information gain in optimal Bayesian experimental design, the computation of the inner loop in the classical double-loop Monte Carlo requires a large number of samples and suffers from underflow if the number of samples is small. These drawbacks can be avoided by using an importance sampling approach. We present a computationally efficient method for optimal Bayesian experimental design that introduces importance sampling based on the Laplace method to the inner loop. We derive the optimal values for the method parameters in which the average computational cost is minimized according to the desired error tolerance. We use three numerical examples to demonstrate the computational efficiency of our method compared with the classical double-loop Monte Carlo, and a more recent single-loop Monte Carlo method that uses the Laplace method as an approximation of the return value of the inner loop. The first example is a scalar problem that is linear in the uncertain parameter. The second example is a nonlinear scalar problem. The third example deals with the optimal sensor placement for an electrical impedance tomography experiment to recover the fiber orientation in laminate composites.

Advanced Energy Validated Photovoltaic Inverter Technology at NREL | Energy

Science.gov Websites

power hardware-in-the-loop system and megawatt-scale grid simulators. Photo of two men pointing at a The ESIF's utility-scale power hardware-in-the-loop capability allowed Advanced Energy to loop its

Pilot-in-the-Loop CFD Method Development

DTIC Science & Technology

2017-04-20

the methods on the NAVAIR Manned Flight Simulator. Activities this period During this report period, we implemented the CRAFT CFD code on the...Penn State VLRCROE Flight simulator and performed the first Pilot-in-the-Loop PILCFD tests at Penn State using the COCOA5 clusters. The initial tests...integration of the flight simulator and Penn State computing infrastructure. Initial tests showed slower performance than real-time (3x slower than real

Incorporation of SemiSpan SuperSonic Transport (S4T) Aeroservoelastic Models into SAREC-ASV Simulation

NASA Technical Reports Server (NTRS)

Christhilf, David M.; Pototzky, Anthony S.; Stevens, William L.

2010-01-01

The Simulink-based Simulation Architecture for Evaluating Controls for Aerospace Vehicles (SAREC-ASV) was modified to incorporate linear models representing aeroservoelastic characteristics of the SemiSpan SuperSonic Transport (S4T) wind-tunnel model. The S4T planform is for a Technology Concept Aircraft (TCA) design from the 1990s. The model has three control surfaces and is instrumented with accelerometers and strain gauges. Control laws developed for wind-tunnel testing for Ride Quality Enhancement, Gust Load Alleviation, and Flutter Suppression System functions were implemented in the simulation. The simulation models open- and closed-loop response to turbulence and to control excitation. It provides time histories for closed-loop stable conditions above the open-loop flutter boundary. The simulation is useful for assessing the potential impact of closed-loop control rate and position saturation. It also provides a means to assess fidelity of system identification procedures by providing time histories for a known plant model, with and without unmeasured turbulence as a disturbance. Sets of linear models representing different Mach number and dynamic pressure conditions were implemented as MATLAB Linear Time Invariant (LTI) objects. Configuration changes were implemented by selecting which LTI object to use in a Simulink template block. A limited comparison of simulation versus wind-tunnel results is shown.

Crystal plasticity modeling of irradiation growth in Zircaloy-2

DOE PAGES

Patra, Anirban; Tome, Carlos; Golubov, Stanislav I.

2017-05-10

A reaction-diffusion based mean field rate theory model is implemented in the viscoplastic self-consistent (VPSC) crystal plasticity framework to simulate irradiation growth in hcp Zr and its alloys. A novel scheme is proposed to model the evolution (both number density and radius) of irradiation-induced dislocation loops that can be informed directly from experimental data of dislocation density evolution during irradiation. This framework is used to predict the irradiation growth behavior of cold-worked Zircaloy-2 and trends compared to available experimental data. The role of internal stresses in inducing irradiation creep is discussed. Effects of grain size, texture, and external stress onmore » the coupled irradiation growth and creep behavior are also studied.« less

Crystal plasticity modeling of irradiation growth in Zircaloy-2

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

Patra, Anirban; Tome, Carlos; Golubov, Stanislav I.

A reaction-diffusion based mean field rate theory model is implemented in the viscoplastic self-consistent (VPSC) crystal plasticity framework to simulate irradiation growth in hcp Zr and its alloys. A novel scheme is proposed to model the evolution (both number density and radius) of irradiation-induced dislocation loops that can be informed directly from experimental data of dislocation density evolution during irradiation. This framework is used to predict the irradiation growth behavior of cold-worked Zircaloy-2 and trends compared to available experimental data. The role of internal stresses in inducing irradiation creep is discussed. Effects of grain size, texture, and external stress onmore » the coupled irradiation growth and creep behavior are also studied.« less

A polycrystal plasticity model of strain localization in irradiated iron

NASA Astrophysics Data System (ADS)

Barton, Nathan R.; Arsenlis, Athanasios; Marian, Jaime

2013-02-01

At low to intermediate homologous temperatures, the degradation of structural materials performance in nuclear environments is associated with high number densities of nanometric defects produced in irradiation cascades. In polycrystalline ferritic materials, self-interstitial dislocations loops are a principal signature of irradiation damage, leading to a mechanical response characterized by increased yield strengths, decreased total strain to failure, and decreased work hardening as compared to the unirradiated behavior. Above a critical defect concentration, the material deforms by plastic flow localization, giving rise to strain softening in terms of the engineering stress-strain response. Flow localization manifests itself in the form of defect-depleted crystallographic channels, through which all dislocation activity is concentrated. In this paper, we describe the formulation of a crystal plasticity model for pure Fe embedded in a finite element polycrystal simulator and present results of uniaxial tensile deformation tests up to 10% strain. We use a tensorial damage descriptor variable to capture the evolution of the irradiation damage loop subpopulation during deformation. The model is parameterized with detailed dislocation dynamics simulations of tensile tests up to 1.5% deformation of systems containing various initial densities of irradiation defects. The coarse-grained simulations are shown to capture the essential details of the experimental stress response observed in ferritic alloys and steels. Our methodology provides an effective linkage between the defect scale, of the order of one nanometer, and the continuum scale involving multiple grain orientations.

Hardware-in-the-Loop Rendezvous Tests of a Novel Actuators Command Concept

NASA Astrophysics Data System (ADS)

Gomes dos Santos, Willer; Marconi Rocco, Evandro; Boge, Toralf; Benninghoff, Heike; Rems, Florian

2016-12-01

Integration, test and validation results, in a real-time environment, of a novel concept for spacecraft control are presented in this paper. The proposed method commands simultaneously a group of actuators optimizing a given set of objective functions based on a multiobjective optimization technique. Since close proximity maneuvers play an important role in orbital servicing missions, the entire GNC system has been integrated and tested at a hardware-in-the-loop (HIL) rendezvous and docking simulator known as European Proximity Operations Simulator (EPOS). During the test campaign at EPOS facility, a visual camera has been used to provide the necessary measurements for calculating the relative position with respect to the target satellite during closed-loop simulations. In addition, two different configurations of spacecraft control have been considered in this paper: a thruster reaction control system and a mixed actuators mode which includes thrusters, reaction wheels, and magnetic torqrods. At EPOS, results of HIL closed-loop tests have demonstrated that a safe and stable rendezvous approach can be achieved with the proposed GNC loop.

Closed-Loop Neuromorphic Benchmarks

PubMed Central

Stewart, Terrence C.; DeWolf, Travis; Kleinhans, Ashley; Eliasmith, Chris

2015-01-01

Evaluating the effectiveness and performance of neuromorphic hardware is difficult. It is even more difficult when the task of interest is a closed-loop task; that is, a task where the output from the neuromorphic hardware affects some environment, which then in turn affects the hardware's future input. However, closed-loop situations are one of the primary potential uses of neuromorphic hardware. To address this, we present a methodology for generating closed-loop benchmarks that makes use of a hybrid of real physical embodiment and a type of “minimal” simulation. Minimal simulation has been shown to lead to robust real-world performance, while still maintaining the practical advantages of simulation, such as making it easy for the same benchmark to be used by many researchers. This method is flexible enough to allow researchers to explicitly modify the benchmarks to identify specific task domains where particular hardware excels. To demonstrate the method, we present a set of novel benchmarks that focus on motor control for an arbitrary system with unknown external forces. Using these benchmarks, we show that an error-driven learning rule can consistently improve motor control performance across a randomly generated family of closed-loop simulations, even when there are up to 15 interacting joints to be controlled. PMID:26696820

Investigation of air transportation technology at Ohio University, 1980. [general aviation aircraft and navigation aids

NASA Technical Reports Server (NTRS)

Mcfarland, R. H.

1981-01-01

Specific configurations of first and second order all digital phase locked loops were analyzed for both ideal and additive gaussian noise inputs. In addition, a design for a hardware digital phase locked loop capable of either first or second order operation was evaluated along with appropriate experimental data obtained from testing of the hardware loop. All parameters chosen for the analysis and the design of the digital phase locked loop were consistent with an application to an Omega navigation receiver although neither the analysis nor the design are limited to this application. For all cases tested, the experimental data showed close agreement with the analytical results indicating that the Markov chain model for first and second order digital phase locked loops are valid.

Mathematical Modeling of Loop Heat Pipes

NASA Technical Reports Server (NTRS)

Kaya, Tarik; Ku, Jentung; Hoang, Triem T.; Cheung, Mark L.

1998-01-01

The primary focus of this study is to model steady-state performance of a Loop Heat Pipe (LHP). The mathematical model is based on the steady-state energy balance equations at each component of the LHP. The heat exchange between each LHP component and the surrounding is taken into account. Both convection and radiation environments are modeled. The loop operating temperature is calculated as a function of the applied power at a given loop condition. Experimental validation of the model is attempted by using two different LHP designs. The mathematical model is tested at different sink temperatures and at different elevations of the loop. Tbc comparison of the calculations and experimental results showed very good agreement (within 3%). This method proved to be a useful tool in studying steady-state LHP performance characteristics.

Simulation and analysis of the effect of ungrounded rectangular loop distributed parameters on TEM response

NASA Astrophysics Data System (ADS)

Shi, Zongyang; Liu, Lihua; Xiao, Pan; Geng, Zhi; Liu, Fubo; Fang, Guangyou

2018-02-01

An ungrounded loop in the shallow subsurface transient electromagnetic surveys has been studied as the transmission line model for early turn-off stage, which can accurately explicate the early turn-off current waveform inconsistency along the loop. In this paper, the Gauss-Legendre numerical integration method is proposed for the first time to simulate and analyze the transient electromagnetic (TEM) response considering the different early turn-off current waveforms along the loop. During the simulation, these integral node positions along the loop are firstly determined by solving these zero points of Legendre polynomial, then the turn-off current of each node position is simulated by using the transfer function of the transmission line. Finally, the total TEM response is calculated by using the Gauss-Legendre integral formula. In addition, the comparison and analysis between the results affected by the distributed parameters and that generated by lumped parameters are presented. It is found that the TEM responses agree well with each other after current is thoroughly switched off, while the transient responses in turn-off stage are completely different. It means that the position dependence of the early turn-off current should be introduced into the forward model during the early response data interpretation of the shallow TEM detection of the ungrounded loop. Furthermore, the TEM response simulations at four geometric symmetry points are made. It shows that early responses of different geometric symmetry points are also inconsistent. The research on the influence of turn-off current position dependence on the early response of geometric symmetry point is of great significance to guide the layout of the survey lines and the transmitter location.

Closed loop control of a cylindrical tube type Ionic Polymer Metal Composite (IPMC)

NASA Astrophysics Data System (ADS)

Mead, Benjamin T.

The goal of this research is to provide a framework for the integration of tube type, cylindrical Ionic Polymer Metal-Composite (IPMC) into conventional devices. IPMCs are one of the most widely used types of electro-active polymer actuator, due to their low electric driving potential and large deformation range. For this research a tube type IPMC was investigated. This IPMC has a circular cross section with four separate electrodes on its surface and a hole through the middle. The four electrodes allow for biaxial bending and accurate control of the tip location. One of the main advantages of using this type of IPMC is the ability to embed a specific tool and accurately control the tool tip location using the large deflection range of the IPMC. This ability has widespread applications including in the biomedical field for use in active catheter procedures. First, this relatively new type of IPMC is investigated and characterized. The processes and materials used are described and the functional design is explored. Before the modeling process beings the basic functions of the IPMC are investigated. To this end force and displacement experiments are performed to describe the activation of the tube type IPMC. This data will be used later to verify and calibrate the mathematical simulations. Second, a three dimensional multi-physics finite element model is developed using COMSOL 4.3a. This model will automatically couple three physics packages and provide a description of the fluid interactions within the tube type IPMC. This model is then compared against the experimental displacement results to calibrate the simulation. Using this simulation design parameters are declared including, overall diameter, and tool hole size. The performance of the IPMC is then simulated while varying these parameters. Third, an electro-mechanical model of the IPMC is developed. This macroscopic model is used to relate the input voltage to an associated tip deflection. Several model types used for this purpose are tested and discussed. After determining a suitable type a mathematical electro-mechanical model is developed. Using this model several closed loop control systems are proposed. Once a final decision is reached the closed loop control system is implemented in the experimental setup. Several tests are designed to test the effectiveness of the closed loop system and mathematical models. Finally several improvements are made to enhance the users experience using IPMCs as well as incorporating them into conventional devices. To provide a better user interface the experimental control system is extended to allow the user to input controls via a standard computer mouse. This will allow a shorter operator training time and hopefully a wider array of real world uses for IPMCs. Attempts are also made to establish permanent connections to the IPMC. A tube type IPMC is meant to be used as part of a total system. To this end soldered connections to the IPMC are made. One of the main expected applications of tube type IPMCs are as active catheters. In this application the IPMC would be placed in-line with the plastic catheter line. As a proof of concept the IPMC is installed onto the tip of a conventional catheter line.

Closed-loop fiber optic gyroscope with homodyne detection

NASA Astrophysics Data System (ADS)

Zhu, Yong; Qin, BingKun; Chen, Shufen

1996-09-01

Interferometric fiber optic gyroscope (IFOG) has been analyzed with autocontrol theory in this paper. An open-loop IFOG system is not able to restrain the bias drift, but a closed-loop IFOG system can do it very well using negative feedback in order to suppress zero drift. The result of our theoretic analysis and computer simulation indicate that the bias drift of a closed-loop system is smaller than an open- loop one.

Study of a Simulation Tool to Determine Achievable Control Dynamics and Control Power Requirements with Perfect Tracking

NASA Technical Reports Server (NTRS)

Ostroff, Aaron J.

1998-01-01

This paper contains a study of two methods for use in a generic nonlinear simulation tool that could be used to determine achievable control dynamics and control power requirements while performing perfect tracking maneuvers over the entire flight envelope. The two methods are NDI (nonlinear dynamic inversion) and the SOFFT(Stochastic Optimal Feedforward and Feedback Technology) feedforward control structure. Equivalent discrete and continuous SOFFT feedforward controllers have been developed. These equivalent forms clearly show that the closed-loop plant model loop is a plant inversion and is the same as the NDI formulation. The main difference is that the NDI formulation has a closed-loop controller structure whereas SOFFT uses an open-loop command model. Continuous, discrete, and hybrid controller structures have been developed and integrated into the formulation. Linear simulation results show that seven different configurations all give essentially the same response, with the NDI hybrid being slightly different. The SOFFT controller gave better tracking performance compared to the NDI controller when a nonlinear saturation element was added. Future plans include evaluation using a nonlinear simulation.

The use of real-time, hardware-in-the-loop simulation in the design and development of the new Hughes HS601 spacecraft attitude control system

NASA Technical Reports Server (NTRS)

Slafer, Loren I.

1989-01-01

Realtime simulation and hardware-in-the-loop testing is being used extensively in all phases of the design, development, and testing of the attitude control system (ACS) for the new Hughes HS601 satellite bus. Realtime, hardware-in-the-loop simulation, integrated with traditional analysis and pure simulation activities is shown to provide a highly efficient and productive overall development program. Implementation of high fidelity simulations of the satellite dynamics and control system algorithms, capable of real-time execution (using applied Dynamics International's System 100), provides a tool which is capable of being integrated with the critical flight microprocessor to create a mixed simulation test (MST). The MST creates a highly accurate, detailed simulated on-orbit test environment, capable of open and closed loop ACS testing, in which the ACS design can be validated. The MST is shown to provide a valuable extension of traditional test methods. A description of the MST configuration is presented, including the spacecraft dynamics simulation model, sensor and actuator emulators, and the test support system. Overall system performance parameters are presented. MST applications are discussed; supporting ACS design, developing on-orbit system performance predictions, flight software development and qualification testing (augmenting the traditional software-based testing), mission planning, and a cost-effective subsystem-level acceptance test. The MST is shown to provide an ideal tool in which the ACS designer can fly the spacecraft on the ground.

Time delay compensation for closed-loop insulin delivery systems: a simulation study.

PubMed

Reboldi, G P; Home, P D; Calabrese, G; Fabietti, P G; Brunetti, P; Massi Benedetti, M

1991-06-01

Closed loop insulin therapy certainly represents the best possible approach to insulin replacement. However, present limitations preclude wider application of the so-called artificial pancreas. Therefore, a thorough understanding of these limitations is needed to design better systems for future long-term use. The present simulation study was design: to obtain better information on the impact of the measurement delay of currently available closed-loop devices both during closed-loop insulin delivery and blood glucose clamp studies, and to design and test a time delay compensator based on the method originally described by O.J. Smith. Simulations were performed on a Compaq Deskpro 486/25 personal computer under MS-DOS operating system using Simnon rel. 3.00 software. There was a direct relationship between measurement delay and amount of insulin delivered, i.e., the longer the delay the higher the insulin dose needed to control a rise in blood glucose; the closed-loop response in presence of a time delay was qualitatively impaired both during insulin delivery and blood glucose clamp studies; time delay compensation was effective in reducing the insulin dose and improving controller stability during the early phase of clamp studies. However, the robustness of a Smith's predictor-based controller should be carefully evaluated before implementation in closed-loop systems can be considered.

Performance of a modified feedback loop adaptive array with TVRO satellite signals

NASA Technical Reports Server (NTRS)

Steadman, K.; Gupta, I. J.; Walton, E. K.

1990-01-01

The performance of an experimental adaptive antenna array system is evaluated using television-receive-only (TVRO) satellite signals. The experimental system is a sidelobe canceler with two auxiliary channels. Modified feedback loops are used to enhance the suppression of weak interfering signals. The modified feedback loops use two spatially separate antennas, each with an individual amplifier for each auxiliary channel. Thus, the experimental system uses five antenna elements. Instead of using five separate antennas, a reflector antenna with multiple feeds is used to receive signals from various TVRO satellites. The details of the earth station are given. It is shown that the experimental system can null up to two signals originating from interfering TVRO satellites while receiving the signals from a desired TVRO satellite.

THE INSTABILITY AND NON-EXISTENCE OF MULTI-STRANDED LOOPS WHEN DRIVEN BY TRANSVERSE WAVES

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

Magyar, N.; Van Doorsselaere, T., E-mail: norbert.magyar@wis.kuleuven.be

2016-06-01

In recent years, omni-present transverse waves have been observed in all layers of the solar atmosphere. Coronal loops are often modeled as a collection of individual strands in order to explain their thermal behavior and appearance. We perform three-dimensional (3D) ideal magnetohydrodynamics simulations to study the effect of a continuous small amplitude transverse footpoint driving on the internal structure of a coronal loop composed of strands. The output is also converted into synthetic images, corresponding to the AIA 171 and 193 Å passbands, using FoMo. We show that the multi-stranded loop ceases to exist in the traditional sense of themore » word, because the plasma is efficiently mixed perpendicularly to the magnetic field, with the Kelvin–Helmholtz instability acting as the main mechanism. The final product of our simulation is a mixed loop with density structures on a large range of scales, resembling a power-law. Thus, multi-stranded loops are unstable to driving by transverse waves, and this raises strong doubts on the usability and applicability of coronal loop models consisting of independent strands.« less

RELAP5-3D Modeling of Heat Transfer Components (Intermediate Heat Exchanger and Helical-Coil Steam Generator) for NGNP Application

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

N. A. Anderson; P. Sabharwall

2014-01-01

The Next Generation Nuclear Plant project is aimed at the research and development of a helium-cooled high-temperature gas reactor that could generate both electricity and process heat for the production of hydrogen. The heat from the high-temperature primary loop must be transferred via an intermediate heat exchanger to a secondary loop. Using RELAP5-3D, a model was developed for two of the heat exchanger options a printed-circuit heat exchanger and a helical-coil steam generator. The RELAP5-3D models were used to simulate an exponential decrease in pressure over a 20 second period. The results of this loss of coolant analysis indicate thatmore » heat is initially transferred from the primary loop to the secondary loop, but after the decrease in pressure in the primary loop the heat is transferred from the secondary loop to the primary loop. A high-temperature gas reactor model should be developed and connected to the heat transfer component to simulate other transients.« less

Loop conformation and dynamics of the Escherichia coli HPPK apo-enzyme and its binary complex with MgATP.

PubMed

Yang, Rong; Lee, Matthew C; Yan, Honggao; Duan, Yong

2005-07-01

Comparison of the crystallographic and NMR structures of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase (HPPK) suggests that the enzyme may undergo significant conformational change upon binding to its first substrate, ATP. Two of the three surface loops (loop 2 and loop 3) accounting for most of the conformational differences appear to be confined by crystal contacts, raising questions about the putative large-scale induced-fit conformational change of HPPK and the functional roles of the conserved side-chain residues on the loops. To investigate the loop dynamics in crystal-free environment, we carried out molecular dynamics and locally enhanced sampling simulations of the apo-enzyme and the HPPK.MgATP complex. Our simulations showed that the crystallographic B-factors underestimated the loop dynamics considerably. We found that the open-conformation of loop 3 in the binary complex is accessible to the apo-enzyme and is the favored conformation in solution phase. These results revise our previous view of HPPK-substrate interactions and the associated functional mechanism of conformational change. The lessons learned here offer valuable structural insights into the workings of HPPK and should be useful for structure-based drug design.

Loop propensity of the sequence YKGQP from staphylococcal nuclease: implications for the folding of nuclease.

PubMed

Patel, Sunita; Sasidhar, Yellamraju U

2007-10-01

Recently we performed molecular dynamics (MD) simulations on the folding of the hairpin peptide DTVKLMYKGQPMTFR from staphylococcal nuclease in explicit water. We found that the peptide folds into a hairpin conformation with native and nonnative hydrogen-bonding patterns. In all the folding events observed in the folding of the hairpin peptide, loop formation involving the region YKGQP was an important event. In order to trace the origins of the loop propensity of the sequence YKGQP, we performed MD simulations on the sequence starting from extended, polyproline II and native type I' turn conformations for a total simulation length of 300 ns, using the GROMOS96 force field under constant volume and temperature (NVT) conditions. The free-energy landscape of the peptide YKGQP shows minima corresponding to loop conformation with Tyr and Pro side-chain association, turn and extended conformational forms, with modest free-energy barriers separating the minima. To elucidate the role of Gly in facilitating loop formation, we also performed MD simulations of the mutated peptide YKAQP (Gly --> Ala mutation) under similar conditions starting from polyproline II conformation for 100 ns. Two minima corresponding to bend/turn and extended conformations were observed in the free-energy landscape for the peptide YKAQP. The free-energy barrier between the minima in the free-energy landscape of the peptide YKAQP was also modest. Loop conformation is largely sampled by the YKGQP peptide, while extended conformation is largely sampled by the YKAQP peptide. We also explain why the YKGQP sequence samples type II turn conformation in these simulations, whereas the sequence as part of the hairpin peptide DTVKLMYKGQPMTFR samples type I' turn conformation both in the X-ray crystal structure and in our earlier simulations on the folding of the hairpin peptide. We discuss the implications of our results to the folding of the staphylococcal nuclease. Copyright (c) 2007 European Peptide Society and John Wiley & Sons, Ltd.

Experimental Validation of Pulse Phase Tracking for X-Ray Pulsar Based

NASA Technical Reports Server (NTRS)

Anderson, Kevin

2012-01-01

Pulsars are a form of variable celestial source that have shown to be usable as aids for autonomous, deep space navigation. Particularly those sources emitting in the X-ray band are ideal for navigation due to smaller detector sizes. In this paper X-ray photons arriving from a pulsar are modeled as a non-homogeneous Poisson process. The method of pulse phase tracking is then investigated as a technique to measure the radial distance traveled by a spacecraft over an observation interval. A maximum-likelihood phase estimator (MLE) is used for the case where the observed frequency signal is constant. For the varying signal frequency case, an algorithm is used in which the observation window is broken up into smaller blocks over which an MLE is used. The outputs of this phase estimation process were then looped through a digital phase-locked loop (DPLL) in order to reduce the errors and produce estimates of the doppler frequency. These phase tracking algorithms were tested both in a computer simulation environment and using the NASA Goddard Space flight Center X-ray Navigation Laboratory Testbed (GXLT). This provided an experimental validation with photons being emitted by a modulated X-ray source and detected by a silicon-drift detector. Models of the Crab pulsar and the pulsar B1821-24 were used in order to generate test scenarios. Three different simulated detector trajectories were used to be tracked by the phase tracking algorithm: a stationary case, one with constant velocity, and one with constant acceleration. All three were performed in one-dimension along the line of sight to the pulsar. The first two had a constant signal frequency and the third had a time varying frequency. All of the constant frequency cases were processed using the MLE, and it was shown that they tracked the initial phase within 0.15% for the simulations and 2.5% in the experiments, based on an average of ten runs. The MLE-DPLL cascade version of the phase tracking algorithm was used in the varying frequency case. This resulted in tracking of the phase and frequency by the DPLL outputs in both the simulation and experimental environments. The crab pulsar was experimentally tested with a trajectory with a higher acceleration. In this case the phase error tended toward zero as the observation extended to 250 seconds and the doppler frequency error tended to zero in under 100 seconds.

Using coronal seismology to estimate the magnetic field strength in a realistic coronal model

NASA Astrophysics Data System (ADS)

Chen, F.; Peter, H.

2015-09-01

Aims: Coronal seismology is used extensively to estimate properties of the corona, e.g. the coronal magnetic field strength is derived from oscillations observed in coronal loops. We present a three-dimensional coronal simulation, including a realistic energy balance in which we observe oscillations of a loop in synthesised coronal emission. We use these results to test the inversions based on coronal seismology. Methods: From the simulation of the corona above an active region, we synthesise extreme ultraviolet emission from the model corona. From this, we derive maps of line intensity and Doppler shift providing synthetic data in the same format as obtained from observations. We fit the (Doppler) oscillation of the loop in the same fashion as done for observations to derive the oscillation period and damping time. Results: The loop oscillation seen in our model is similar to imaging and spectroscopic observations of the Sun. The velocity disturbance of the kink oscillation shows an oscillation period of 52.5 s and a damping time of 125 s, which are both consistent with the ranges of periods and damping times found in observations. Using standard coronal seismology techniques, we find an average magnetic field strength of Bkink = 79 G for our loop in the simulation, while in the loop the field strength drops from roughly 300 G at the coronal base to 50 G at the apex. Using the data from our simulation, we can infer what the average magnetic field derived from coronal seismology actually means. It is close to the magnetic field strength in a constant cross-section flux tube, which would give the same wave travel time through the loop. Conclusions: Our model produced a realistic looking loop-dominated corona, and provides realistic information on the oscillation properties that can be used to calibrate and better understand the result from coronal seismology. A movie associated with Fig. 1 is available in electronic form at http://www.aanda.org

Extrusion without a motor: a new take on the loop extrusion model of genome organization

PubMed Central

Johnson, J.; Michieletto, D.; Morozov, A. N.; Nicodemi, M.; Cook, P. R.; Marenduzzo, D.

2018-01-01

ABSTRACT Chromatin loop extrusion is a popular model for the formation of CTCF loops and topological domains. Recent HiC data have revealed a strong bias in favour of a particular arrangement of the CTCF binding motifs that stabilize loops, and extrusion is the only model to date which can explain this. However, the model requires a motor to generate the loops, and although cohesin is a strong candidate for the extruding factor, a suitable motor protein (or a motor activity in cohesin itself) has yet to be found. Here we explore a new hypothesis: that there is no motor, and thermal motion within the nucleus drives extrusion. Using theoretical modelling and computer simulations we ask whether such diffusive extrusion could feasibly generate loops. Our simulations uncover an interesting ratchet effect (where an osmotic pressure promotes loop growth), and suggest, by comparison to recent in vitro and in vivo measurements, that diffusive extrusion can in principle generate loops of the size observed in the data. Extra View on : C. A. Brackley, J. Johnson, D. Michieletto, A. N. Morozov, M. Nicodemi, P. R. Cook, and D. Marenduzzo “Non-equilibrium chromosome looping via molecular slip-links”, Physical Review Letters 119 138101 (2017) PMID:29300120

Multi-scale simulation of radiation damage accumulation and subsequent hardening in neutron-irradiated α-Fe

DOE PAGES

Dunn, Aaron; Dingreville, Remi; Capolungo, Laurent

2015-11-27

A hierarchical methodology is introduced to predict the effects of radiation damage and irradiation conditions on the yield stress and internal stress heterogeneity developments in polycrystalline α-Fe. Simulations of defect accumulation under displacement cascade damage conditions are performed using spatially resolved stochastic cluster dynamics. The resulting void and dislocation loop concentrations and average sizes are then input into a crystal plasticity formulation that accounts for the change in critical resolved shear stress due to the presence of radiation induced defects. The simulated polycrystalline tensile tests show a good match to experimental hardening data over a wide range of irradiation doses.more » With this capability, stress heterogeneity development and the effect of dose rate on hardening is investigated. The model predicts increased hardening at higher dose rates for low total doses. By contrast, at doses above 10 –2 dpa when cascade overlap becomes significant, the model does not predict significantly different hardening for different dose rates. In conclusion, the development of such a model enables simulation of radiation damage accumulation and associated hardening without relying on experimental data as an input under a wide range of irradiation conditions such as dose, dose rate, and temperature.« less

Simulating Operation of a Large Turbofan Engine

NASA Technical Reports Server (NTRS)

Litt, Jonathan S.; Frederick, Dean K.; DeCastro, Jonathan

2008-01-01

The Commercial Modular Aero- Propulsion System Simulation (C-MAPSS) is a computer program for simulating transient operation of a commercial turbofan engine that can generate as much as 90,000 lb (.0.4 MN) of thrust. It includes a power-management system that enables simulation of open- or closed-loop engine operation over a wide range of thrust levels throughout the full range of flight conditions. C-MAPSS provides the user with a set of tools for performing open- and closed-loop transient simulations and comparison of linear and non-linear models throughout its operating envelope, in an easy-to-use graphical environment.

A Hardware-in-the-Loop Simulator for Software Development for a Mars Airplane

NASA Technical Reports Server (NTRS)

Slagowski, Stefan E.; Vican, Justin E.; Kenney, P. Sean

2007-01-01

Draper Laboratory recently developed a Hardware-In-The-Loop Simulator (HILSIM) to provide a simulation of the Aerial Regional-scale Environmental Survey (ARES) airplane executing a mission in the Martian environment. The HILSIM was used to support risk mitigation activities under the Planetary Airplane Risk Reduction (PARR) program. PARR supported NASA Langley Research Center's (LaRC) ARES proposal efforts for the Mars Scout 2011 opportunity. The HILSIM software was a successful integration of two simulation frameworks, Draper's CSIM and NASA LaRC's Langley Standard Real-Time Simulation in C++ (LaSRS++).

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

NASA Technical Reports Server (NTRS)

Csank, Jeffrey T.; Stueber, Thomas J.

2013-01-01

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

Enabling co-simulation of tokamak plant models and plasma control systems

DOE PAGES

Walker, M. L.

2017-12-22

A system for connecting the Plasma Control System and a model of the tokamak Plant in closed loop co-simulation for plasma control development has been in routine use at DIII-D for more than 20 years and at other fusion labs that use variants of the DIII-D PCS for approximately the last decade. Here, co-simulation refers to the simultaneous execution of two independent codes with the exchange of data - Plant actuator commands and tokamak diagnostic data - between them during execution. Interest in this type of PCS-Plant simulation technology has also been growing recently at other fusion facilities. In fact,more » use of such closed loop control simulations is assumed to play an even larger role in the development of both the ITER Plasma Control System (PCS) and the experimental operation of the ITER device, where they will be used to support verification/validation of the PCS and also for ITER pulse schedule development and validation. We describe the key use cases that motivate the co-simulation capability and the features that must be provided by the Plasma Control System to support it. These features could be provided by the PCS itself or by a model of the PCS. If the PCS itself is chosen to provide them, there are requirements imposed on its architecture. If a PCS model is chosen, there are requirements imposed on the initial implementation of this simulation as well as long-term consequences for its continued development and maintenance. We describe these issues for each use case and discuss the relative merits of the two choices. Several examples are given illustrating uses of the co-simulation method to address problems of plasma control during the operation of DIII-D and of other devices that use the DIII-D PCS.« less

Enabling co-simulation of tokamak plant models and plasma control systems

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

Walker, M. L.

A system for connecting the Plasma Control System and a model of the tokamak Plant in closed loop co-simulation for plasma control development has been in routine use at DIII-D for more than 20 years and at other fusion labs that use variants of the DIII-D PCS for approximately the last decade. Here, co-simulation refers to the simultaneous execution of two independent codes with the exchange of data - Plant actuator commands and tokamak diagnostic data - between them during execution. Interest in this type of PCS-Plant simulation technology has also been growing recently at other fusion facilities. In fact,more » use of such closed loop control simulations is assumed to play an even larger role in the development of both the ITER Plasma Control System (PCS) and the experimental operation of the ITER device, where they will be used to support verification/validation of the PCS and also for ITER pulse schedule development and validation. We describe the key use cases that motivate the co-simulation capability and the features that must be provided by the Plasma Control System to support it. These features could be provided by the PCS itself or by a model of the PCS. If the PCS itself is chosen to provide them, there are requirements imposed on its architecture. If a PCS model is chosen, there are requirements imposed on the initial implementation of this simulation as well as long-term consequences for its continued development and maintenance. We describe these issues for each use case and discuss the relative merits of the two choices. Several examples are given illustrating uses of the co-simulation method to address problems of plasma control during the operation of DIII-D and of other devices that use the DIII-D PCS.« less

Free energy profile of RNA hairpins: a molecular dynamics simulation study.

PubMed

Deng, Nan-Jie; Cieplak, Piotr

2010-02-17

RNA hairpin loops are one of the most abundant secondary structure elements and participate in RNA folding and protein-RNA recognition. To characterize the free energy surface of RNA hairpin folding at an atomic level, we calculated the potential of mean force (PMF) as a function of the end-to-end distance, by using umbrella sampling simulations in explicit solvent. Two RNA hairpins containing tetraloop cUUCGg and cUUUUg are studied with AMBER ff99 and CHARMM27 force fields. Experimentally, the UUCG hairpin is known to be significantly more stable than UUUU. In this study, the calculations using AMBER force field give a qualitatively correct description for the folding of two RNA hairpins, as the calculated PMF confirms the global stability of the folded structures and the resulting relative folding free energy is in quantitative agreement with the experimental result. The hairpin stabilities are also correctly differentiated by the more rapid molecular mechanics-Poisson Boltzmann-surface area approach, but the relative free energy estimated from this method is overestimated. The free energy profile shows that the native state basin and the unfolded state plateau are separated by a wide shoulder region, which samples a variety of native-like structures with frayed terminal basepair. The calculated PMF lacks major barriers that are expected near the transition regions, and this is attributed to the limitation of the 1-D reaction coordinate. The PMF results are compared with other studies of small RNA hairpins using kinetics method and coarse grained models. The two RNA hairpins described by CHARMM27 are significantly more deformable than those represented by AMBER. Compared with the AMBER results, the CHARMM27 calculated DeltaG(fold) for the UUUU tetraloop is in better agreement with the experimental results. However, the CHARMM27 calculation does not confirm the global stability of the experimental UUCG structure; instead, the extended conformations are predicted to be thermodynamically stable in solution. This finding is further supported by separate unrestrained CHARMM27 simulations, in which the UUCG hairpin unfolds spontaneously within 10 ns. The instability of the UUCG hairpin originates from the loop region, and propagates to the stem. The results of this study provide a molecular picture of RNA hairpin unfolding and reveal problems in the force field descriptions for the conformational energy of certain RNA hairpin. Copyright 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Development of a Turbofan Engine Simulation in a Graphical Simulation Environment

NASA Technical Reports Server (NTRS)

Parker, Khary I.; Guo, Ten-Heui

2003-01-01

This paper presents the development of a generic component level model of a turbofan engine simulation with a digital controller, in an advanced graphical simulation environment. The goal of this effort is to develop and demonstrate a flexible simulation platform for future research in propulsion system control and diagnostic technology. A previously validated FORTRAN-based model of a modern, high-performance, military-type turbofan engine is being used to validate the platform development. The implementation process required the development of various innovative procedures, which are discussed in the paper. Open-loop and closed-loop comparisons are made between the two simulations. Future enhancements that are to be made to the modular engine simulation are summarized.

Experimental vibroacoustic testing of plane panels using synthesized random pressure fields.

PubMed

Robin, Olivier; Berry, Alain; Moreau, Stéphane

2014-06-01

The experimental reproduction of random pressure fields on a plane panel and corresponding induced vibrations is studied. An open-loop reproduction strategy is proposed that uses the synthetic array concept, for which a small array element is moved to create a large array by post-processing. Three possible approaches are suggested to define the complex amplitudes to be imposed to the reproduction sources distributed on a virtual plane facing the panel to be tested. Using a single acoustic monopole, a scanning laser vibrometer and a baffled simply supported aluminum panel, experimental vibroacoustic indicators such as the Transmission Loss for Diffuse Acoustic Field, high-speed subsonic and supersonic Turbulent Boundary Layer excitations are obtained. Comparisons with simulation results obtained using a commercial software show that the Transmission Loss estimation is possible under both excitations. Moreover and as a complement to frequency domain indicators, the vibroacoustic behavior of the panel can be studied in the wave number domain.

Experimental evaluation of HJB optimal controllers for the attitude dynamics of a multirotor aerial vehicle.

PubMed

Prado, Igor Afonso Acampora; Pereira, Mateus de Freitas Virgílio; de Castro, Davi Ferreira; Dos Santos, Davi Antônio; Balthazar, Jose Manoel

2018-06-01

The present paper is concerned with the design and experimental evaluation of optimal control laws for the nonlinear attitude dynamics of a multirotor aerial vehicle. Three design methods based on Hamilton-Jacobi-Bellman equation are taken into account. The first one is a linear control with guarantee of stability for nonlinear systems. The second and third are a nonlinear suboptimal control techniques. These techniques are based on an optimal control design approach that takes into account the nonlinearities present in the vehicle dynamics. The stability Proof of the closed-loop system is presented. The performance of the control system designed is evaluated via simulations and also via an experimental scheme using the Quanser 3-DOF Hover. The experiments show the effectiveness of the linear control method over the nonlinear strategy. Copyright © 2018 ISA. Published by Elsevier Ltd. All rights reserved.

Dynamic modeling of brushless dc motors for aerospace actuation

NASA Technical Reports Server (NTRS)

Demerdash, N. A.; Nehl, T. W.

1980-01-01

A discrete time model for simulation of the dynamics of samarium cobalt-type permanent magnet brushless dc machines is presented. The simulation model includes modeling of the interaction between these machines and their attached power conditioners. These are transistorized conditioner units. This model is part of an overall discrete-time analysis of the dynamic performance of electromechanical actuators, which was conducted as part of prototype development of such actuators studied and built for NASA-Johnson Space Center as a prospective alternative to hydraulic actuators presently used in shuttle orbiter applications. The resulting numerical simulations of the various machine and power conditioner current and voltage waveforms gave excellent correlation to the actual waveforms collected from actual hardware experimental testing. These results, numerical and experimental, are presented here for machine motoring, regeneration and dynamic braking modes. Application of the resulting model to the determination of machine current and torque profiles during closed-loop actuator operation were also analyzed and the results are given here. These results are given in light of an overall view of the actuator system components. The applicability of this method of analysis to design optimization and trouble-shooting in such prototype development is also discussed in light of the results at hand.

NMR investigations of molecular dynamics

NASA Astrophysics Data System (ADS)

Palmer, Arthur

2011-03-01

NMR spectroscopy is a powerful experimental approach for characterizing protein conformational dynamics on multiple time scales. The insights obtained from NMR studies are complemented and by molecular dynamics (MD) simulations, which provide full atomistic details of protein dynamics. Homologous mesophilic (E. coli) and thermophilic (T. thermophilus) ribonuclease H (RNase H) enzymes serve to illustrate how changes in protein sequence and structure that affect conformational dynamic processes can be monitored and characterized by joint analysis of NMR spectroscopy and MD simulations. A Gly residue inserted within a putative hinge between helices B and C is conserved among thermophilic RNases H, but absent in mesophilic RNases H. Experimental spin relaxation measurements show that the dynamic properties of T. thermophilus RNase H are recapitulated in E. coli RNase H by insertion of a Gly residue between helices B and C. Additional specific intramolecular interactions that modulate backbone and sidechain dynamical properties of the Gly-rich loop and of the conserved Trp residue flanking the Gly insertion site have been identified using MD simulations and subsequently confirmed by NMR spin relaxation measurements. These results emphasize the importance of hydrogen bonds and local steric interactions in restricting conformational fluctuations, and the absence of such interactions in allowing conformational adaptation to substrate binding.

Observational Signatures of Coronal Heating

NASA Astrophysics Data System (ADS)

Dahlburg, R. B.; Einaudi, G.; Ugarte-Urra, I.; Warren, H. P.; Rappazzo, A. F.; Velli, M.; Taylor, B.

2016-12-01

Recent research on observational signatures of turbulent heating of a coronal loop will be discussed. The evolution of the loop is is studied by means of numericalsimulations of the fully compressible three-dimensionalmagnetohydrodynamic equations using the HYPERION code. HYPERION calculates the full energy cycle involving footpoint convection, magnetic reconnection,nonlinear thermal conduction and optically thin radiation.The footpoints of the loop magnetic field are convected by random photospheric motions. As a consequence the magnetic field in the loop is energized and develops turbulent nonlinear dynamics characterized by the continuous formation and dissipation of field-aligned current sheets: energy is deposited at small scales where heating occurs. Dissipation is non-uniformly distributed so that only a fraction of thecoronal mass and volume gets heated at any time. Temperature and density are highly structured at scales which, in the solar corona, remain observationally unresolved: the plasma of the simulated loop is multi-thermal, where highly dynamical hotter and cooler plasma strands arescattered throughout the loop at sub-observational scales. Typical simulated coronal loops are 50000 km length and have axial magnetic field intensities ranging from 0.01 to 0.04 Tesla.To connect these simulations to observations the computed numberdensities and temperatures are used to synthesize the intensities expected inemission lines typically observed with the Extreme ultraviolet Imaging Spectrometer(EIS) on Hinode. These intensities are then employed to compute differentialemission measure distributions, which are found to be very similar to those derivedfrom observations of solar active regions.

Rotor systems research aircraft simulation mathematical model

NASA Technical Reports Server (NTRS)

Houck, J. A.; Moore, F. L.; Howlett, J. J.; Pollock, K. S.; Browne, M. M.

1977-01-01

An analytical model developed for evaluating and verifying advanced rotor concepts is discussed. The model was used during in both open loop and real time man-in-the-loop simulation during the rotor systems research aircraft design. Future applications include: pilot training, preflight of test programs, and the evaluation of promising concepts before their implementation on the flight vehicle.

Floating-point system quantization errors in digital control systems

NASA Technical Reports Server (NTRS)

Phillips, C. L.; Vallely, D. P.

1978-01-01

This paper considers digital controllers (filters) operating in floating-point arithmetic in either open-loop or closed-loop systems. A quantization error analysis technique is developed, and is implemented by a digital computer program that is based on a digital simulation of the system. The program can be integrated into existing digital simulations of a system.

Constant speed control of four-stroke micro internal combustion swing engine

NASA Astrophysics Data System (ADS)

Gao, Dedong; Lei, Yong; Zhu, Honghai; Ni, Jun

2015-09-01

The increasing demands on safety, emission and fuel consumption require more accurate control models of micro internal combustion swing engine (MICSE). The objective of this paper is to investigate the constant speed control models of four-stroke MICSE. The operation principle of the four-stroke MICSE is presented based on the description of MICSE prototype. A two-level Petri net based hybrid model is proposed to model the four-stroke MICSE engine cycle. The Petri net subsystem at the upper level controls and synchronizes the four Petri net subsystems at the lower level. The continuous sub-models, including breathing dynamics of intake manifold, thermodynamics of the chamber and dynamics of the torque generation, are investigated and integrated with the discrete model in MATLAB Simulink. Through the comparison of experimental data and simulated DC voltage output, it is demonstrated that the hybrid model is valid for the four-stroke MICSE system. A nonlinear model is obtained from the cycle average data via the regression method, and it is linearized around a given nominal equilibrium point for the controller design. The feedback controller of the spark timing and valve duration timing is designed with a sequential loop closing design approach. The simulation of the sequential loop closure control design applied to the hybrid model is implemented in MATLAB. The simulation results show that the system is able to reach its desired operating point within 0.2 s, and the designed controller shows good MICSE engine performance with a constant speed. This paper presents the constant speed control models of four-stroke MICSE and carries out the simulation tests, the models and the simulation results can be used for further study on the precision control of four-stroke MICSE.

Numerical analysis of stress effects on Frank loop evolution during irradiation in austenitic Fe&z.sbnd;Cr&z.sbnd;Ni alloy

NASA Astrophysics Data System (ADS)

Tanigawa, Hiroyasu; Katoh, Yutai; Kohyama, Akira

1995-08-01

Effects of applied stress on early stages of interstitial type Frank loop evolution were investigated by both numerical calculation and irradiation experiments. The final objective of this research is to propose a comprehensive model of complex stress effects on microstructural evolution under various conditions. In the experimental part of this work, the microstructural analysis revealed that the differences in resolved normal stress caused those in the nucleation rates of Frank loops on {111} crystallographic family planes, and that with increasing external applied stress the total nucleation rate of Frank loops was increased. A numerical calculation was carried out primarily to evaluate the validity of models of stress effects on nucleation processes of Frank loop evolution. The calculation stands on rate equuations which describe evolution of point defects, small points defect clusters and Frank loops. The rate equations of Frank loop evolution were formulated for {111} planes, considering effects of resolved normal stress to clustering processes of small point defects and growth processes of Frank loops, separately. The experimental results and the predictions from the numerical calculation qualitatively coincided well with each other.

Architecture of a platform for hardware-in-the-loop simulation of flying vehicle control systems

NASA Astrophysics Data System (ADS)

Belokon', S. A.; Zolotukhin, Yu. N.; Filippov, M. N.

2017-07-01

A hardware-software platform is presented, which is designed for the development and hardware-in-the-loop simulation of flying vehicle control systems. This platform ensures the construction of the mathematical model of the plant, development of algorithms and software for onboard radioelectronic equipment and ground control station, and visualization of the three-dimensional model of the vehicle and external environment of the cockpit in the simulator training mode.

NASA MSFC hardware in the loop simulations of automatic rendezvous and capture systems

NASA Technical Reports Server (NTRS)

Tobbe, Patrick A.; Naumann, Charles B.; Sutton, William; Bryan, Thomas C.

1991-01-01

Two complementary hardware-in-the-loop simulation facilities for automatic rendezvous and capture systems at MSFC are described. One, the Flight Robotics Laboratory, uses an 8 DOF overhead manipulator with a work volume of 160 by 40 by 23 feet to evaluate automatic rendezvous algorithms and range/rate sensing systems. The other, the Space Station/Station Operations Mechanism Test Bed, uses a 6 DOF hydraulic table to perform docking and berthing dynamics simulations.

A novel heart rate control model provides insights linking LF-HRV behavior to the open-loop gain.

PubMed

Dvir, Hila; Bobrovsky, Ben Zion; Gabbay, Uri

2013-09-20

Low-frequency heart rate variability (LF-HRV) at rest has already been successfully modeled as self-sustained oscillations in a nonlinear control loop, but these models fail to simulate LF-HRV decreases either during aerobic exercise or in heart failure patients. Following control engineering practices, we assume the existence of a biological excitation (dither) within the heart rate control loop that softens the nonlinearity and studied LF-HRV behavior in a dither-embedded model. We adopted the Ottesen model with some revisions and induced a dither of high-frequency stochastic perturbations. We simulated scenarios of a healthy subject at rest and during aerobic exercise (by decreasing peripheral vascular resistance) and a heart failure patient (by decreasing stroke volume). The simulations resembled physiological LF-HRV behavior, i.e., LF-HRV decreased during aerobic exercise and in the heart failure patient. The simulations exhibited LF-HRV dependency on the open-loop gain, which is related to the product of the feedback gain and the feed forward gain. We are the first to demonstrate that LF-HRV may be dependent on the open-loop gain. Accordingly, reduced open-loop gain results in decreased LF-HRV, and vice versa. Our findings explain a well-known but unexplained observed phenomenon of reduced LF-HRV both in heart failure patients and in healthy subjects performing aerobic exercise. These findings have implications on how changes in LF-HRV can be interpreted physiologically, a necessary step towards the clinical utilization of LF-HRV. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

Development of a High-Fidelity Simulation Environment for Shadow-Mode Assessments of Air Traffic Concepts

NASA Technical Reports Server (NTRS)

Lee, Alan G.; Robinson, John E.; Lai, Chok Fung

2017-01-01

This paper will describe the purpose, architecture, and implementation of a gate-to-gate, high-fidelity air traffic simulation environment called the Shadow Mode Assessment using Realistic Technologies for the National Airspace System (SMART-NAS) Test Bed.The overarching purpose of the SMART-NAS Test Bed (SNTB) is to conduct high-fidelity, real-time, human-in-the-loop and automation-in-the-loop simulations of current and proposed future air traffic concepts for the Next Generation Air Transportation System of the United States, called NextGen. SNTB is intended to enable simulations that are currently impractical or impossible for three major areas of NextGen research and development: Concepts across multiple operational domains such as the gate-to-gate trajectory-based operations concept; Concepts related to revolutionary operations such as the seamless and widespread integration of large and small Unmanned Aerial System (UAS) vehicles throughout U.S. airspace; Real-time system-wide safety assurance technologies to allow safe, increasingly autonomous aviation operations. SNTB is primarily accessed through a web browser. A set of secure support services are provided to simplify all aspects of real-time, human-in-the-loop and automation-in-the-loop simulations from design (i.e., prior to execution) through analysis (i.e., after execution). These services include simulation architecture and asset configuration; scenario generation; command, control and monitoring; and analysis support.

A processing centre for the CNES CE-GPS experimentation

NASA Technical Reports Server (NTRS)

Suard, Norbert; Durand, Jean-Claude

1994-01-01

CNES is involved in a GPS (Global Positioning System) geostationary overlay experimentation. The purpose of this experimentation is to test various new techniques in order to select the optimal station synchronization method, as well as the geostationary spacecraft orbitography method. These new techniques are needed to develop the Ranging GPS Integrity Channel services. The CNES experimentation includes three transmitting/receiving ground stations (manufactured by IN-SNEC), one INMARSAT 2 C/L band transponder and a processing center named STE (Station de Traitements de l'Experimentation). Not all the techniques to be tested are implemented, but the experimental system has to include several functions; part of the future system simulation functions, such as a servo-loop function, and in particular a data collection function providing for rapid monitoring of system operation, analysis of existing ground station processes, and several weeks of data coverage for other scientific studies. This paper discusses system architecture and some criteria used in its design, as well as the monitoring function, the approach used to develop a low-cost and short-life processing center in collaboration with a CNES sub-contractor (ATTDATAID), and some results.

In silico preclinical trials: a proof of concept in closed-loop control of type 1 diabetes.

PubMed

Kovatchev, Boris P; Breton, Marc; Man, Chiara Dalla; Cobelli, Claudio

2009-01-01

Arguably, a minimally invasive system using subcutaneous (s.c.) continuous glucose monitoring (CGM) and s.c. insulin delivery via insulin pump would be a most feasible step to closed-loop control in type 1 diabetes mellitus (T1DM). Consequently, diabetes technology is focusing on developing an artificial pancreas using control algorithms to link CGM with s.c. insulin delivery. The future development of the artificial pancreas will be greatly accelerated by employing mathematical modeling and computer simulation. Realistic computer simulation is capable of providing invaluable information about the safety and the limitations of closed-loop control algorithms, guiding clinical studies, and out-ruling ineffective control scenarios in a cost-effective manner. Thus computer simulation testing of closed-loop control algorithms is regarded as a prerequisite to clinical trials of the artificial pancreas. In this paper, we present a system for in silico testing of control algorithms that has three principal components: (1) a large cohort of n=300 simulated "subjects" (n=100 adults, 100 adolescents, and 100 children) based on real individuals' data and spanning the observed variability of key metabolic parameters in the general population of people with T1DM; (2) a simulator of CGM sensor errors representative of Freestyle Navigator™, Guardian RT, or Dexcom™ STS™, 7-day sensor; and (3) a simulator of discrete s.c. insulin delivery via OmniPod Insulin Management System or Deltec Cozmo(®) insulin pump. The system has been shown to represent adequate glucose fluctuations in T1DM observed during meal challenges, and has been accepted by the Food and Drug Administration as a substitute to animal trials in the preclinical testing of closed-loop control strategies. © Diabetes Technology Society

Ponderomotive Acceleration in Coronal Loops

NASA Astrophysics Data System (ADS)

Dahlburg, Russell B.; Laming, J. Martin; Taylor, Brian; Obenschain, Keith

2017-08-01

Ponderomotive acceleration has been asserted to be a cause of the First Ionization Potential (FIP) effect, the by now well known enhancement in abundance by a factor of 3-4 over photospheric values of elements in the solar corona with FIP less than about 10 eV. It is shown here by means of numerical simulations that ponderomotive acceleration occurs in solar coronal loops, with the appropriate magnitude and direction, as a ``byproduct'' of coronal heating. The numerical simulations are performed with the HYPERION code, which solves the fully compressible three-dimensional magnetohydrodynamic equations including nonlinear thermal conduction and optically thin radiation. Numerical simulations of a coronal loops with an axial magnetic field from 0.005 Teslas to 0.02 Teslas and lengths from 25000 km to 75000 km are presented. In the simulations the footpoints of the axial loop magnetic field are convected by random, large-scale motions. There is a continuous formation and dissipation of field-aligned current sheets which act to heat the loop. As a consequence of coronal magnetic reconnection, small scale, high speed jets form. The familiar vortex quadrupoles form at reconnection sites. Between the magnetic footpoints and the corona the reconnection flow merges with the boundary flow. It is in this region that the ponderomotive acceleration occurs. Mirroring the character of the coronal reconnection, the ponderomotive acceleration is also found to be intermittent.

Energy Conversion Loop: A Testbed for Nuclear Hybrid Energy Systems Use in Biomass Pyrolysis

NASA Astrophysics Data System (ADS)

Verner, Kelley M.

Nuclear hybrid energy systems are a possible solution for contemporary energy challenges. Nuclear energy produces electricity without greenhouse gas emissions. However, nuclear power production is not as flexible as electrical grids demand and renewables create highly variable electricity. Nuclear hybrid energy systems are able to address both of these problems. Wasted heat can be used in processes such as desalination, hydrogen production, or biofuel production. This research explores the possible uses of nuclear process heat in bio-oil production via biomass pyrolysis. The energy conversion loop is a testbed designed and built to mimic the heat from a nuclear reactor. Small scale biomass pyrolysis experiments were performed and compared to results from the energy conversion loop tests to determine future pyrolysis experimentation with the energy conversion loop. Further improvements must be made to the energy conversion loop before more complex experiments may be performed. The current conditions produced by the energy conversion loop are not conducive for current biomass pyrolysis experimentation.tion.

Chemical Looping Combustion Reactions and Systems

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

Sarofim, Adel; Lighty, JoAnn; Smith, Philip

2014-03-01

Chemical Looping Combustion (CLC) is one promising fuel-combustion technology, which can facilitate economic CO{sub 2} capture in coal-fired power plants. It employs the oxidation/reduction characteristics of a metal, or oxygen carrier, and its oxide, the oxidizing gas (typically air) and the fuel source may be kept separate. This topical report discusses the results of four complementary efforts: (5.1) the development of process and economic models to optimize important design considerations, such as oxygen carrier circulation rate, temperature, residence time; (5.2) the development of high-performance simulation capabilities for fluidized beds and the collection, parameter identification, and preliminary verification/uncertainty quantification; (5.3) themore » exploration of operating characteristics in the laboratoryscale bubbling bed reactor, with a focus on the oxygen carrier performance, including reactivity, oxygen carrying capacity, attrition resistance, resistance to deactivation, cost and availability; and (5.4) the identification of kinetic data for copper-based oxygen carriers as well as the development and analysis of supported copper oxygen carrier material. Subtask 5.1 focused on the development of kinetic expressions for the Chemical Looping with Oxygen Uncoupling (CLOU) process and validating them with reported literature data. The kinetic expressions were incorporated into a process model for determination of reactor size and oxygen carrier circulation for the CLOU process using ASPEN PLUS. An ASPEN PLUS process model was also developed using literature data for the CLC process employing an iron-based oxygen carrier, and the results of the process model have been utilized to perform a relative economic comparison. In Subtask 5.2, the investigators studied the trade-off between modeling approaches and available simulations tools. They quantified uncertainty in the high-performance computing (HPC) simulation tools for CLC bed applications. Furthermore, they performed a sensitivity analysis for velocity, height and polydispersity and compared results against literature data for experimental studies of CLC beds with no reaction. Finally, they present an optimization space using simple non-reactive configurations. In Subtask 5.3, through a series of experimental studies, behavior of a variety of oxygen carriers with different loadings and manufacturing techniques was evaluated under both oxidizing and reducing conditions. The influences of temperature, degree of carrier conversion and thermodynamic driving force resulting from the difference between equilibrium and system O{sub 2} partial pressures were evaluated through several experimental campaigns, and generalized models accounting for these influences were developed to describe oxidation and oxygen release. Conversion of three solid fuels with widely ranging reactivities was studied in a small fluidized bed system, and all but the least reactive fuel (petcoke) were rapidly converted by oxygen liberated from the CLOU carrier. Attrition propensity of a variety of carriers was also studied, and the carriers produced by freeze granulation or impregnation of preformed substrates displayed the lowest rates of attrition. Subtask 5.4 focused on gathering kinetic data for a copper-based oxygen carrier to assist with modeling of a functioning chemical looping reactor. The kinetics team was also responsible for the development and analysis of supported copper oxygen carrier material.« less

Digital second-order phase-locked loop

NASA Technical Reports Server (NTRS)

Holmes, J. K.; Carl, C. C.; Tagnelia, C. R.

1975-01-01

Actual tests with second-order digital phase-locked loop at simulated relative Doppler shift of 1x0.0001 produced phase lock with timing error of 6.5 deg and no appreciable Doppler bias. Loop thus appears to achieve subcarrier synchronization and to remove bias due to Doppler shift in range of interest.

Numerical and flight simulator test of the flight deterioration concept

NASA Technical Reports Server (NTRS)

Mccarthy, J.; Norviel, V.

1982-01-01

Manned flight simulator response to theoretical wind shear profiles was studied in an effort to calibrate fixed-stick and pilot-in-the-loop numerical models of jet transport aircraft on approach to landing. Results of the study indicate that both fixed-stick and pilot-in-the-loop models overpredict the deleterious effects of aircraft approaches when compared to pilot performance in the manned simulator. Although the pilot-in-the-loop model does a better job than does the fixed-stick model, the study suggests that the pilot-in-the-loop model is suitable for use in meteorological predictions of adverse low-level wind shear along approach and departure courses to identify situations in which pilots may find difficulty. The model should not be used to predict the success or failure of a specific aircraft. It is suggested that the pilot model be used as part of a ground-based Doppler radar low-level wind shear detection and warning system.

Cyber-Physical Test Platform for Microgrids: Combining Hardware, Hardware-in-the-Loop, and Network-Simulator-in-the-Loop

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

Nelson, Austin; Chakraborty, Sudipta; Wang, Dexin

This paper presents a cyber-physical testbed, developed to investigate the complex interactions between emerging microgrid technologies such as grid-interactive power sources, control systems, and a wide variety of communication platforms and bandwidths. The cyber-physical testbed consists of three major components for testing and validation: real time models of a distribution feeder model with microgrid assets that are integrated into the National Renewable Energy Laboratory's (NREL) power hardware-in-the-loop (PHIL) platform; real-time capable network-simulator-in-the-loop (NSIL) models; and physical hardware including inverters and a simple system controller. Several load profiles and microgrid configurations were tested to examine the effect on system performance withmore » increasing channel delays and router processing delays in the network simulator. Testing demonstrated that the controller's ability to maintain a target grid import power band was severely diminished with increasing network delays and laid the foundation for future testing of more complex cyber-physical systems.« less

Shock heating in numerical simulations of kink-unstable coronal loops

PubMed Central

Bareford, M. R.; Hood, A. W.

2015-01-01

An analysis of the importance of shock heating within coronal magnetic fields has hitherto been a neglected area of study. We present new results obtained from nonlinear magnetohydrodynamic simulations of straight coronal loops. This work shows how the energy released from the magnetic field, following an ideal instability, can be converted into thermal energy, thereby heating the solar corona. Fast dissipation of magnetic energy is necessary for coronal heating and this requirement is compatible with the time scales associated with ideal instabilities. Therefore, we choose an initial loop configuration that is susceptible to the fast-growing kink, an instability that is likely to be created by convectively driven vortices, occurring where the loop field intersects the photosphere (i.e. the loop footpoints). The large-scale deformation of the field caused by the kinking creates the conditions for the formation of strong current sheets and magnetic reconnection, which have previously been considered as sites of heating, under the assumption of an enhanced resistivity. However, our simulations indicate that slow mode shocks are the primary heating mechanism, since, as well as creating current sheets, magnetic reconnection also generates plasma flows that are faster than the slow magnetoacoustic wave speed. PMID:25897092

Improvements in flight table dynamic transparency for hardware-in-the-loop facilities

NASA Astrophysics Data System (ADS)

DeMore, Louis A.; Mackin, Rob; Swamp, Michael; Rusterholtz, Roger

2000-07-01

Flight tables are a 'necessary evil' in the Hardware-In-The- Loop (HWIL) simulation. Adding the actual or prototypic flight hardware to the loop, in order to increase the realism of the simulation, forces us to add motion simulation to the process. Flight table motion bases bring unwanted dynamics, non- linearities, transport delays, etc to an already difficult problem sometimes requiring the simulation engineer to compromise the results. We desire that the flight tables be 'dynamically transparent' to the simulation scenario. This paper presents a State Variable Feedback (SVF) control system architecture with feed-forward techniques that improves the flight table's dynamic transparency by significantly reducing the table's low frequency phase lag. We offer some actual results with existing flight tables that demonstrate the improved transparency. These results come from a demonstration conducted on a flight table in the KHILS laboratory at Eglin AFB and during a refurbishment of a flight table for the Boeing Company of St. Charles, Missouri.

Closed-loop controller for chest compressions based on coronary perfusion pressure: a computer simulation study.

PubMed

Wang, Chunfei; Zhang, Guang; Wu, Taihu; Zhan, Ningbo; Wang, Yaling

2016-03-01

High-quality cardiopulmonary resuscitation contributes to cardiac arrest survival. The traditional chest compression (CC) standard, which neglects individual differences, uses unified standards for compression depth and compression rate in practice. In this study, an effective and personalized CC method for automatic mechanical compression devices is provided. We rebuild Charles F. Babbs' human circulation model with a coronary perfusion pressure (CPP) simulation module and propose a closed-loop controller based on a fuzzy control algorithm for CCs, which adjusts the CC depth according to the CPP. Compared with a traditional proportion-integration-differentiation (PID) controller, the performance of the fuzzy controller is evaluated in computer simulation studies. The simulation results demonstrate that the fuzzy closed-loop controller results in shorter regulation time, fewer oscillations and smaller overshoot than traditional PID controllers and outperforms the traditional PID controller for CPP regulation and maintenance.

Cascade debris overlap mechanism of 〈100〉 dislocation loop formation in Fe and FeCr

NASA Astrophysics Data System (ADS)

Granberg, F.; Byggmästar, J.; Sand, A. E.; Nordlund, K.

2017-09-01

Two types of dislocation loops are observed in irradiated α-Fe, the 1/2〈111〉 loop and the 〈100〉 loop. Atomistic simulations consistently predict that only the energetically more favourable 1/2〈111〉 loops are formed directly in cascades, leaving the formation mechanism of 〈100〉 loops an unsolved question. We show how 〈100〉 loops can be formed when cascades overlap with random pre-existing primary radiation damage in Fe and FeCr. This indicates that there are no specific constraints involved in the formation of 〈100〉 loops, and can explain their common occurrence.

Hyperstaticity and loops in frictional granular packings

NASA Astrophysics Data System (ADS)

Tordesillas, Antoinette; Lam, Edward; Metzger, Philip T.

2009-06-01

The hyperstatic nature of granular packings of perfectly rigid disks is analyzed algebraically and through numerical simulation. The elementary loops of grains emerge as a fundamental element in addressing hyperstaticity. Loops consisting of an odd number of grains behave differently than those with an even number. For odd loops, the latent stresses are exterior and are characterized by the sum of frictional forces around each loop. For even loops, the latent stresses are interior and are characterized by the alternating sum of frictional forces around each loop. The statistics of these two types of loop sums are found to be Gibbsian with a "temperature" that is linear with the friction coefficient μ when μ<1.

FIND: difFerential chromatin INteractions Detection using a spatial Poisson process.

PubMed

Djekidel, Mohamed Nadhir; Chen, Yang; Zhang, Michael Q

2018-02-12

Polymer-based simulations and experimental studies indicate the existence of a spatial dependency between the adjacent DNA fibers involved in the formation of chromatin loops. However, the existing strategies for detecting differential chromatin interactions assume that the interacting segments are spatially independent from the other segments nearby. To resolve this issue, we developed a new computational method, FIND, which considers the local spatial dependency between interacting loci. FIND uses a spatial Poisson process to detect differential chromatin interactions that show a significant difference in their interaction frequency and the interaction frequency of their neighbors. Simulation and biological data analysis show that FIND outperforms the widely used count-based methods and has a better signal-to-noise ratio. © 2018 Djekidel et al.; Published by Cold Spring Harbor Laboratory Press.

Molecular dynamics and mutational analysis of the catalytic and translocation cycle of RNA polymerase

PubMed Central

2012-01-01

Background During elongation, multi-subunit RNA polymerases (RNAPs) cycle between phosphodiester bond formation and nucleic acid translocation. In the conformation associated with catalysis, the mobile “trigger loop” of the catalytic subunit closes on the nucleoside triphosphate (NTP) substrate. Closing of the trigger loop is expected to exclude water from the active site, and dehydration may contribute to catalysis and fidelity. In the absence of a NTP substrate in the active site, the trigger loop opens, which may enable translocation. Another notable structural element of the RNAP catalytic center is the “bridge helix” that separates the active site from downstream DNA. The bridge helix may participate in translocation by bending against the RNA/DNA hybrid to induce RNAP forward movement and to vacate the active site for the next NTP loading. The transition between catalytic and translocation conformations of RNAP is not evident from static crystallographic snapshots in which macromolecular motions may be restrained by crystal packing. Results All atom molecular dynamics simulations of Thermus thermophilus (Tt) RNAP reveal flexible hinges, located within the two helices at the base of the trigger loop, and two glycine hinges clustered near the N-terminal end of the bridge helix. As simulation progresses, these hinges adopt distinct conformations in the closed and open trigger loop structures. A number of residues (described as “switch” residues) trade atomic contacts (ion pairs or hydrogen bonds) in response to changes in hinge orientation. In vivo phenotypes and in vitro activities rendered by mutations in the hinge and switch residues in Saccharomyces cerevisiae (Sc) RNAP II support the importance of conformational changes predicted from simulations in catalysis and translocation. During simulation, the elongation complex with an open trigger loop spontaneously translocates forward relative to the elongation complex with a closed trigger loop. Conclusions Switching between catalytic and translocating RNAP forms involves closing and opening of the trigger loop and long-range conformational changes in the atomic contacts of amino acid side chains, some located at a considerable distance from the trigger loop and active site. Trigger loop closing appears to support chemistry and the fidelity of RNA synthesis. Trigger loop opening and limited bridge helix bending appears to promote forward nucleic acid translocation. PMID:22676913

Model based multivariable controller for large scale compression stations. Design and experimental validation on the LHC 18KW cryorefrigerator

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

Bonne, François; Bonnay, Patrick; Alamir, Mazen

2014-01-29

In this paper, a multivariable model-based non-linear controller for Warm Compression Stations (WCS) is proposed. The strategy is to replace all the PID loops controlling the WCS with an optimally designed model-based multivariable loop. This new strategy leads to high stability and fast disturbance rejection such as those induced by a turbine or a compressor stop, a key-aspect in the case of large scale cryogenic refrigeration. The proposed control scheme can be used to have precise control of every pressure in normal operation or to stabilize and control the cryoplant under high variation of thermal loads (such as a pulsedmore » heat load expected to take place in future fusion reactors such as those expected in the cryogenic cooling systems of the International Thermonuclear Experimental Reactor ITER or the Japan Torus-60 Super Advanced fusion experiment JT-60SA). The paper details how to set the WCS model up to synthesize the Linear Quadratic Optimal feedback gain and how to use it. After preliminary tuning at CEA-Grenoble on the 400W@1.8K helium test facility, the controller has been implemented on a Schneider PLC and fully tested first on the CERN's real-time simulator. Then, it was experimentally validated on a real CERN cryoplant. The efficiency of the solution is experimentally assessed using a reasonable operating scenario of start and stop of compressors and cryogenic turbines. This work is partially supported through the European Fusion Development Agreement (EFDA) Goal Oriented Training Program, task agreement WP10-GOT-GIRO.« less

Model based multivariable controller for large scale compression stations. Design and experimental validation on the LHC 18KW cryorefrigerator

NASA Astrophysics Data System (ADS)

Bonne, François; Alamir, Mazen; Bonnay, Patrick; Bradu, Benjamin

2014-01-01

In this paper, a multivariable model-based non-linear controller for Warm Compression Stations (WCS) is proposed. The strategy is to replace all the PID loops controlling the WCS with an optimally designed model-based multivariable loop. This new strategy leads to high stability and fast disturbance rejection such as those induced by a turbine or a compressor stop, a key-aspect in the case of large scale cryogenic refrigeration. The proposed control scheme can be used to have precise control of every pressure in normal operation or to stabilize and control the cryoplant under high variation of thermal loads (such as a pulsed heat load expected to take place in future fusion reactors such as those expected in the cryogenic cooling systems of the International Thermonuclear Experimental Reactor ITER or the Japan Torus-60 Super Advanced fusion experiment JT-60SA). The paper details how to set the WCS model up to synthesize the Linear Quadratic Optimal feedback gain and how to use it. After preliminary tuning at CEA-Grenoble on the 400W@1.8K helium test facility, the controller has been implemented on a Schneider PLC and fully tested first on the CERN's real-time simulator. Then, it was experimentally validated on a real CERN cryoplant. The efficiency of the solution is experimentally assessed using a reasonable operating scenario of start and stop of compressors and cryogenic turbines. This work is partially supported through the European Fusion Development Agreement (EFDA) Goal Oriented Training Program, task agreement WP10-GOT-GIRO.

Creating stable stem regions for loop elongation in Fcabs — Insights from combining yeast surface display, in silico loop reconstruction and molecular dynamics simulations

PubMed Central

Hasenhindl, Christoph; Lai, Balder; Delgado, Javier; Traxlmayr, Michael W.; Stadlmayr, Gerhard; Rüker, Florian; Serrano, Luis; Oostenbrink, Chris; Obinger, Christian

2014-01-01

Fcabs (Fc antigen binding) are crystallizable fragments of IgG where the C-terminal structural loops of the CH3 domain are engineered for antigen binding. For the design of libraries it is beneficial to know positions that will permit loop elongation to increase the potential interaction surface with antigen. However, the insertion of additional loop residues might impair the immunoglobulin fold. In the present work we have probed whether stabilizing mutations flanking the randomized and elongated loop region improve the quality of Fcab libraries. In detail, 13 libraries were constructed having the C-terminal part of the EF loop randomized and carrying additional residues (1, 2, 3, 5 or 10, respectively) in the absence and presence of two flanking mutations. The latter have been demonstrated to increase the thermal stability of the CH3 domain of the respective solubly expressed proteins. Assessment of the stability of the libraries expressed on the surface of yeast cells by flow cytometry demonstrated that loop elongation was considerably better tolerated in the stabilized libraries. By using in silico loop reconstruction and mimicking randomization together with MD simulations the underlying molecular dynamics were investigated. In the presence of stabilizing stem residues the backbone flexibility of the engineered EF loop as well as the fluctuation between its accessible conformations were decreased. In addition the CD loop (but not the AB loop) and most of the framework regions were rigidified. The obtained data are discussed with respect to the design of Fcabs and available data on the relation between flexibility and affinity of CDR loops in Ig-like molecules. PMID:24792385

Creating stable stem regions for loop elongation in Fcabs - insights from combining yeast surface display, in silico loop reconstruction and molecular dynamics simulations.

PubMed

Hasenhindl, Christoph; Lai, Balder; Delgado, Javier; Traxlmayr, Michael W; Stadlmayr, Gerhard; Rüker, Florian; Serrano, Luis; Oostenbrink, Chris; Obinger, Christian

2014-09-01

Fcabs (Fc antigen binding) are crystallizable fragments of IgG where the C-terminal structural loops of the CH3 domain are engineered for antigen binding. For the design of libraries it is beneficial to know positions that will permit loop elongation to increase the potential interaction surface with antigen. However, the insertion of additional loop residues might impair the immunoglobulin fold. In the present work we have probed whether stabilizing mutations flanking the randomized and elongated loop region improve the quality of Fcab libraries. In detail, 13 libraries were constructed having the C-terminal part of the EF loop randomized and carrying additional residues (1, 2, 3, 5 or 10, respectively) in the absence and presence of two flanking mutations. The latter have been demonstrated to increase the thermal stability of the CH3 domain of the respective solubly expressed proteins. Assessment of the stability of the libraries expressed on the surface of yeast cells by flow cytometry demonstrated that loop elongation was considerably better tolerated in the stabilized libraries. By using in silico loop reconstruction and mimicking randomization together with MD simulations the underlying molecular dynamics were investigated. In the presence of stabilizing stem residues the backbone flexibility of the engineered EF loop as well as the fluctuation between its accessible conformations were decreased. In addition the CD loop (but not the AB loop) and most of the framework regions were rigidified. The obtained data are discussed with respect to the design of Fcabs and available data on the relation between flexibility and affinity of CDR loops in Ig-like molecules. Copyright © 2014. Published by Elsevier B.V.

A closed-loop time-alignment system for baseband combining

NASA Technical Reports Server (NTRS)

Feria, Y.

1994-01-01

In baseband combining, the key element is the time alignment of the baseband signals. This article describes a closed-loop time-alignment system that estimates and adjusts the relative delay between two baseband signals received from two different antennas for the signals to be coherently combined. This system automatically determines which signal is advanced and delays it accordingly with a resolution of a sample period. The performance of the loop is analyzed, and the analysis is verified through simulation. The variance of the delay estimates and the signal-to-noise ratio degradation in the simulations agree with the theoretical calculations.

Effect of GNSS receiver carrier phase tracking loops on earthquake monitoring performance

NASA Astrophysics Data System (ADS)

Clare, Adam; Lin, Tao; Lachapelle, Gérard

2017-06-01

This research focuses on the performance of GNSS receiver carrier phase tracking loops for early earthquake monitoring systems. An earthquake was simulated using a hardware simulator and position, velocity and acceleration displacements were obtained to recreate the dynamics of the 2011 Tohoku earthquake. Using a software defined receiver, GSNRx, tracking bandwidths of 5, 10, 15, 20, 30, 40 and 50 Hz along with integration times of 1, 5 and 10 ms were tested. Using the phase lock indicator, an adaptive tracking loop was designed and tested to maximize performance for this application.

Digital compensation techniques for the effects of time lag in closed-loop simulation using the 6 DOF motion system

NASA Technical Reports Server (NTRS)

Brown, R.

1982-01-01

Efforts are continued to develop digital filter compensation schemes for the correction of momentum gains observed in the closed loop simulation of the docking of two satellites using the 6 DOF motion system. Several filters that work well for small delays ( .100ms) and a non-preloaded probe are discussed.

Effect of Coupling Point Selection on Distortion in Internet-distributed Hardware-in-the-Loop Simulation (PREPRINT)

DTIC Science & Technology

2011-04-01

USA, with a hybrid-powertrain-system simulator in Santa Clara, CA, USA ( Compere et al. 2006; Goodell et al. 2006; Brudnak et al. 2007) and, as a...based ( Compere et al. 2006; Goodell et al. 2006; Brudnak et al. 2007) frameworks, to address stability and distortion issues under a delayed coupling...loop simulation." Mechatronics 19(7): 1041-1042. Brudnak, M., M. Pozolo, V. Paul, S. Mohammad, W. Smith, M. Compere , J. Goodell, D. Holtz, T

ANTARES: Spacecraft Simulation for Multiple User Communities and Facilities

NASA Technical Reports Server (NTRS)

Acevedo, Amanda; Berndt, Jon; Othon, William; Arnold, Jason; Gay, Robet

2007-01-01

The Advanced NASA Technology Architecture for Exploration Studies (ANTARES) simulation is the primary tool being used for requirements assessment of the NASA Orion spacecraft by the Guidance Navigation and Control (GN&C) teams at Johnson Space Center (JSC). ANTARES is a collection of packages and model libraries that are assembled and executed by the Trick simulation environment. Currently, ANTARES is being used for spacecraft design assessment, performance analysis, requirements validation, Hardware In the Loop (HWIL) and Human In the Loop (HIL) testing.

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

Goumiri, I. R.; Rowley, C. W.; Sabbagh, S. A.

In this study, a model-based feedback system is presented enabling the simultaneous control of the stored energy through β n and the toroidal rotation profile of the plasma in National Spherical Torus eXperiment Upgrade device. Actuation is obtained using the momentum from six injected neutral beams and the neoclassical toroidal viscosity generated by applying three-dimensional magnetic fields. Based on a model of the momentum diffusion and torque balance, a feedback controller is designed and tested in closed-loop simulations using TRANSP, a time dependent transport analysis code, in predictive mode. Promising results for the ongoing experimental implementation of controllers are obtained.

Dislocation Multiplication by Single Cross Slip for FCC at Submicron Scales

NASA Astrophysics Data System (ADS)

Cui, Yi-Nan; Liu, Zhan-Li; Zhuang, Zhuo

2013-04-01

The operation mechanism of single cross slip multiplication (SCSM) is investigated by studying the response of one dislocation loop expanding in face-centered-cubic (FCC) single crystal using three-dimensional discrete dislocation dynamic (3D-DDD) simulation. The results show that SCSM can trigger highly correlated dislocation generation in a short time, which may shed some light on understanding the large strain burst observed experimentally. Furthermore, we find that there is a critical stress and material size for the operation of SCSM, which agrees with that required to trigger large strain burst in the compression tests of FCC micropillars.

Shielded dual-loop resonator for arterial spin labeling at the neck.

PubMed

Hetzer, Stefan; Mildner, Toralf; Driesel, Wolfgang; Weder, Manfred; Möller, Harald E

2009-06-01

To construct a dual-loop coil for continuous arterial spin labeling (CASL) at the human neck and characterize it using computer simulations and magnetic resonance experiments. The labeling coil was designed as a perpendicular pair of shielded-loop resonators made from coaxial cable to obtain balanced circular loops with minimal electrical interaction with the lossy tissue. Three different excitation modes depending on the phase shift, Deltapsi, of the currents driving the two circular loops were investigated including a "Maxwell mode" (Deltapsi = 0 degrees ; ie, opposite current directions in both loops), a "quadrature mode" (Deltapsi = 90 degrees ), and a "Helmholtz mode" (Deltapsi = 180 degrees ; ie, identical current directions in both loops). Simulations of the radiofrequency field distribution indicated a high inversion efficiency at the locations of the carotid and vertebral arteries. With a 7-mm-thick polypropylene insulation, a sufficient distance from tissue was achieved to guarantee robust performance at a local specific absorption rate (SAR) well below legal safety limits. Application in healthy volunteers at 3 T yielded quantitative maps of gray matter perfusion with low intersubject variability. The coil permits robust labeling with low SAR and minimal sensitivity to different loading conditions.

Generalized EC&LSS computer program configuration control

NASA Technical Reports Server (NTRS)

Blakely, R. L.

1976-01-01

The generalized environmental control and life support system (ECLSS) computer program (G189A) simulation of the shuttle orbiter ECLSS was upgraded. The G189A component model configuration was changed to represent the current PV102 and subsequent vehicle ECLSS configurations as defined by baseline ARS and ATCS schematics. The diagrammatic output schematics of the gas, water, and freon loops were also revised to agree with the new ECLSS configuration. The accuracy of the transient analysis was enhanced by incorporating the thermal mass effects of the equipment, structure, and fluid in the ARS gas and water loops and in the ATCS freon loops. The sources of the data used to upgrade the simulation are: (1) ATCS freon loop line sizes and lengths; (2) ARS water loop line sizes and lengths; (3) ARS water loop and ATCS freon loop component and equipment weights; and (4) ARS cabin and avionics bay thermal capacitance and conductance values. A single G189A combination master program library tape was generated which contains all of the master program library versions which were previously maintained on separate tapes. A new component subroutine, PIPETL, was developed and incorporated into the G189A master program library.

Te homogeneous precipitation in Ge dislocation loop vicinity

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

Perrin Toinin, J.; Portavoce, A., E-mail: alain.portavoce@im2np.fr; Texier, M.

2016-06-06

High resolution microscopies were used to study the interactions of Te atoms with Ge dislocation loops, after a standard n-type doping process in Ge. Te atoms neither segregate nor precipitate on dislocation loops, but form Te-Ge clusters at the same depth as dislocation loops, in contradiction with usual dopant behavior and thermodynamic expectations. Atomistic kinetic Monte Carlo simulations show that Te atoms are repulsed from dislocation loops due to elastic interactions, promoting homogeneous Te-Ge nucleation between dislocation loops. This phenomenon is enhanced by coulombic interactions between activated Te{sup 2+} or Te{sup 1+} ions.

Current systems of coronal loops in 3D MHD simulations

NASA Astrophysics Data System (ADS)

Warnecke, J.; Chen, F.; Bingert, S.; Peter, H.

2017-11-01

Aims: We study the magnetic field and current structure associated with a coronal loop. Through this we investigate to what extent the assumptions of a force-free magnetic field break down and where they might be justified. Methods: We analyze a three-dimensional (3D) magnetohydrodynamic (MHD) model of the solar corona in an emerging active region with the focus on the structure of the forming coronal loops. The lower boundary of this simulation is taken from a model of an emerging active region. As a consequence of the emerging magnetic flux and the horizontal motions at the surface a coronal loop forms self-consistently. We investigate the current density along magnetic field lines inside (and outside) this loop and study the magnetic and plasma properties in and around this loop. The loop is defined as the bundle of field lines that coincides with enhanced emission in extreme UV. Results: We find that the total current along the emerging loop changes its sign from being antiparallel to parallel to the magnetic field. This is caused by the inclination of the loop together with the footpoint motion. Around the loop, the currents form a complex non-force-free helical structure. This is directly related to a bipolar current structure at the loop footpoints at the base of the corona and a local reduction of the background magnetic field (I.e., outside the loop) caused by the plasma flow into and along the loop. Furthermore, the locally reduced magnetic pressure in the loop allows the loop to sustain a higher density, which is crucial for the emission in extreme UV. The action of the flow on the magnetic field hosting the loop turns out to also be responsible for the observed squashing of the loop. Conclusions: The complex magnetic field and current system surrounding it can only be modeled in 3D MHD models where the magnetic field has to balance the plasma pressure. A one-dimensional coronal loop model or a force-free extrapolation cannot capture the current system and the complex interaction of the plasma and the magnetic field in the coronal loop, despite the fact that the loop is under low-β conditions.

Interaction of irradiation-induced prismatic dislocation loops with free surfaces in tungsten

NASA Astrophysics Data System (ADS)

Fikar, Jan; Gröger, Roman; Schäublin, Robin

2017-02-01

The prismatic dislocation loops appear in metals as a result of high-energy irradiation. Understanding their formation and interaction is important for quantification of irradiation-induced deterioration of mechanical properties. Characterization of dislocation loops in thin foils is commonly made using transmission electron microscopy (TEM), but the results are inevitably influenced by the proximity of free surfaces. The prismatic loops are attracted to free surfaces by image forces. Depending on the type, size and depth of the loop in the foil, they can escape to the free surface, thus invalidating TEM observations and conclusions. In this article small prismatic hexagonal and circular dislocation loops in tungsten with the Burgers vectors 1/2 〈 1 1 1 〉 and 〈 1 0 0 〉 are studied by molecular statics simulations using three embedded atom method (EAM) potentials. The calculated image forces are compared to known elastic solutions. A particular attention is paid to the critical stress to move edge dislocations. The escape of the loop to the free surface is quantified by a combination of atomistic simulations and elastic calculations. For example, for the 1/2 〈 1 1 1 〉 loop with diameter 7.4 nm in a 55 nm thick foil we calculated that about one half of the loops will escape to the free surface. This implies that TEM observations detect only approx. 50% of the loops that were originally present in the foil.

An Experimental Study of Pressure Oscillation in a Capillary Pumped Loop with Multiple Evaporators and Condensers

NASA Technical Reports Server (NTRS)

Ku, Jen-Tung; Hoang, Triem T.

1998-01-01

The heat transport capability of a capillary pumped loop (CPL) is limited by the pressure drop that its evaporator wick can sustain. The pressure drop in a CPL is not constant even under seemingly steady operation, but rather exhibits an oscillatory behavior. A hydrodynamic theory based on a mass-spring-dashpot model was previously developed to predict the pressure oscillation in a CPL with a single evaporator and a single condenser. The theory states that the pressure oscillation is a function of physical dimensions of the CPL components and operating conditions. Experimental data agreed very well with theoretical predictions. The hydrodynamic stability theory has recently been extended to predict the pressure oscillations in CPLs with multiple evaporators and multiple condensers. Concurrently, an experimental study was conducted to verify the theory and to investigate the effects of various parameters on the pressure oscillation. Four evaporators with different wick properties were tested using a test loop containing two condenser plates. The test loop allowed the four evaporators to be tested in a single-pump, two-pump or four-pump configuration, and the two condenser plates to be plumbed either in parallel or in series. Test conditions included varying the power input, the reservoir set point temperature, the condenser sink temperature, and the flow resistance between the reservoir and the loop. Experimental results agreed well with theoretical predictions.

Lidar-based wake tracking for closed-loop wind farm control

NASA Astrophysics Data System (ADS)

Raach, Steffen; Schlipf, David; Cheng, Po Wen

2016-09-01

This work presents two advancements towards closed-loop wake redirecting of a wind turbine. First, a model-based estimation approach is presented which uses a nacelle-based lidar system facing downwind to obtain information about the wake. A reduced order wake model is described which is then used in the estimation to track the wake. The tracking is demonstrated with lidar measurement data from an offshore campaign and with simulated lidar data from a SOWFA simulation. Second, a controller for closed-loop wake steering is presented. It uses the wake tracking information to set the yaw actuator of the wind turbine to redirect the wake to a desired position. Altogether, this paper aims to present the concept of closed-loop wake redirecting and gives a possible solution to it.

Zero Power Non-Contact Suspension System with Permanent Magnet Motion Feedback

NASA Astrophysics Data System (ADS)

Sun, Feng; Oka, Koichi

This paper proposes a zero power control method for a permanent magnetic suspension system consisting mainly of a permanent magnet, an actuator, sensors, a suspended iron ball and a spring. A system using this zero power control method will consume quasi-zero power when the levitated object is suspended in an equilibrium state. To realize zero power control, a spring is installed in the magnetic suspension device to counterbalance the gravitational force on the actuator in the equilibrium position. In addition, an integral feedback loop in the controller affords zero actuator current when the device is in a balanced state. In this study, a model was set up for feasibility analysis, a prototype was manufactured for experimental confirmation, numerical simulations of zero power control with nonlinear attractive force were carried out based on the model, and experiments were completed to confirm the practicality of the prototype. The simulations and experiments were performed under varied conditions, such as without springs and without zero power control, with springs and without zero power control, with springs and with zero power control, using different springs and integral feedback gains. Some results are shown and analyzed in this paper. All results indicate that this zero power control method is feasible and effective for use in this suspension system with a permanent magnet motion feedback loop.

Gastric bypass: why Roux-en-Y? A review of experimental data.

PubMed

Collins, Brendan J; Miyashita, Tomoharu; Schweitzer, Michael; Magnuson, Thomas; Harmon, John W

2007-10-01

To highlight the clinical and experimental rationales that support why the Roux-en-Y limb is an important surgical principle for bariatric gastric bypass. We reviewed PubMed citations for open Roux-en-Y gastric bypass (RYGBP), laparoscopic RYGBP, loop gastric bypass, chronic alkaline reflux gastritis, and duodenoesophageal reflux. We reviewed clinical and experimental articles. Clinical articles included prospective, retrospective, and case series of patients undergoing RYGBP, laparoscopic RYGBP, or loop gastric bypass. Experimental articles that were reviewed included in vivo and in vitro models of chronic duodenoesophageal reflux and its effect on carcinogenesis. No formal data extraction was performed. We reviewed published operative times, lengths of stay, and anastomotic leak rates for laparoscopic RYGBP and loop gastric bypass. For in vivo and in vitro experimental models of duodenoesophageal reflux, we reviewed the kinetics and potential molecular mechanisms of carcinogenesis. Recent data suggest that laparoscopic loop gastric bypass, performed without the creation of a Roux-en-Y gastroenterostomy, is a faster surgical technique that confers similarly robust weight loss compared with RYGBP or laparoscopic RYGBP. In the absence of a Roux limb, the long-term effects of chronic alkaline reflux are unknown. Animal models and in vitro analyses of chronic alkaline reflux suggest a carcinogenic effect.

The application of active side arm controllers in helicopters

NASA Technical Reports Server (NTRS)

Knorr, R.; Melz, C.; Faulkner, A.; Obermayer, M.

1993-01-01

Eurocopter Deutschland (ECD) started simulation trials to investigate the particular problems of Side Arm Controllers (SAC) applied to helicopters. Two simulation trials have been performed. In the first trial, the handling characteristics of a 'passive' SAC and the basic requirements for the application of an 'active' SAC were evaluated in pilot-in-the-loop simulations, performing the tasks in a realistic scenario representing typical phases of a transport mission. The second simulation trial investigated the general control characteristics of the 'active' in comparison to the 'passive' control principle. A description of the SACs developed by ECD and the principle of the 'passive' and 'active' control concept is given, as well as specific ratings for the investigated dynamic and ergonomic parameters effecting SAC characteristics. The experimental arrangements, as well as the trials procedures of both simulation phases, are described and the results achieved are discussed emphasizing the advantages of the 'active' as opposed to the 'passive' SAC concept. This also includes the presentation of some critical aspects still to be improved and proposals to solve them.

Second International Workshop on Grid Simulator Testing of Wind Turbine

Science.gov Websites

, Clemson University, USA Update on the FSU-CAPS Megawatt Scale Power Hardware in the Loop Laboratory Loop Based Anti-Islanding Testing of PV Converters-Michael Steurer, Florida State University, USA Closed-Loop Control of Modern Test Benches Advanced Control Techniques for Dynamic Testing of Wind

Energy Systems Integration News | Energy Systems Integration Facility |

Science.gov Websites

simulation and testing platforms from each organization. Power-hardware-in-the-loop technology at the power-hardware-in-the-loop and modeling capabilities together with real data from Duke Energy and GE's , communities, and microgrids. Hardware-in-the-loop testing for power systems will be used to verify the

Optimal Control of Airfoil Flow Separation using Fluidic Excitation

NASA Astrophysics Data System (ADS)

Shahrabi, Arireza F.

This thesis deals with the control of flow separation around a symmetric airfoils with the aid of multiple synthetic jet actuators (SJAs). CFD simulation methods have been implemented to uncover the flow separation regimes and associated properties such as frequencies and momentum ratio. In the first part of the study, the SJA was studied thoroughly. Large Eddy Simulations (LES) were performed for one individual cavity; the time history of SJA of the outlet velocity profile and the net momentum imparted to the flow were analyzed. The studied SJA is asymmetrical and operates with the aid of a piezoelectric (PZT) ceramic circular plate actuator. A three-dimensional mesh for the computational domain of the SJA and the surrounding volume was developed and was used to evaluate the details of the airflow conditions inside the SJA as well as at the outlet. The vibration of the PZT ceramic actuator was used as a boundary condition in the computational model to drive the SJA. Particular attention was given to developing a predictive model of the SJA outlet velocity. Results showed that the SJA velocity output is correlated to the PZT ceramic plate vibration, especially for the first frequency mode. SJAs are a particular class of zero net mass flux (ZNMF) fluidic devices with net imparted momentum to the flow. The net momentum imparted to the flow in the separated region is such that positive enhancement during AFC operations is achieved. Flows around the NACA 0015 airfoil were simulated for a range of operating conditions. Attention was given to the active open and closed loop control solutions for an airfoil with SJA at different angles of attack and flap angles. A large number of simulations using RANS & LES models were performed to study the effects of the momentum ratio (Cμ) in the range of 0 to 11% and of the non-dimensional frequency, F+, in the range of 0 to 2 for the control of flow separation at a practical angle of attack and flap angle. The optimum value of Cμ as well as F+ were evaluated and discussed. The computational model predictions showed good agreement with the experimental data. It was observed that different angles of attack and flap angles have different requirements for the minimum value of the momentum coefficient, Cμ, in order for the SJA to be effective for control of separation. It was also found that the variation of F + noticeably affects the lift and drag forces acting on the airfoil. The optimum values of parameters during open loop control simulations have been applied in order to introduce the optimal open loop control outcome. An innovative approach has been implemented to formulate optimal frequencies and momentum ratios of vortex shedding which depends on angle of attack and static pressure of the separation zone in the upper chord. Optimal open loop results have been compared with the optimal closed loop results. Cumulative case studies in the matter of angle of attacks, flap angles, Re, Cμ and F+ provide a convincing collection of evidence to the following conclusion. An improvement of a direct closed loop control was demonstrated, and an analytical formula describing the properties of a separated flow and vortex shedding was proposed. Best AFC solutions are offered by providing optimal frequencies and momentum ratios at a variety of flow conditions.

Dislocation dynamics simulations of interactions between gliding dislocations and radiation induced prismatic loops in zirconium

NASA Astrophysics Data System (ADS)

Drouet, Julie; Dupuy, Laurent; Onimus, Fabien; Mompiou, Frédéric; Perusin, Simon; Ambard, Antoine

2014-06-01

The mechanical behavior of Pressurized Water Reactor fuel cladding tubes made of zirconium alloys is strongly affected by neutron irradiation due to the high density of radiation induced dislocation loops. In order to investigate the interaction mechanisms between gliding dislocations and loops in zirconium, a new nodal dislocation dynamics code, adapted to Hexagonal Close Packed metals, has been used. Various configurations have been systematically computed considering different glide planes, basal or prismatic, and different characters, edge or screw, for gliding dislocations with -type Burgers vectors. Simulations show various interaction mechanisms such as (i) absorption of a loop on an edge dislocation leading to the formation of a double super-jog, (ii) creation of a helical turn, on a screw dislocation, that acts as a strong pinning point or (iii) sweeping of a loop by a gliding dislocation. It is shown that the clearing of loops is more favorable when the dislocation glides in the basal plane than in the prismatic plane explaining the easy dislocation channeling in the basal plane observed after neutron irradiation by transmission electron microscopy.

Continuous processing of recombinant proteins: Integration of inclusion body solubilization and refolding using simulated moving bed size exclusion chromatography with buffer recycling.

PubMed

Wellhoefer, Martin; Sprinzl, Wolfgang; Hahn, Rainer; Jungbauer, Alois

2013-12-06

An integrated process which combines continuous inclusion body dissolution with NaOH and continuous matrix-assisted refolding based on closed-loop simulated moving bed size exclusion chromatography was designed and experimentally evaluated at laboratory scale. Inclusion bodies from N(pro) fusion pep6His and N(pro) fusion MCP1 from high cell density fermentation were continuously dissolved with NaOH, filtered and mixed with concentrated refolding buffer prior to refolding by size exclusion chromatography (SEC). This process enabled an isocratic operation of the simulated moving bed (SMB) system with a closed-loop set-up with refolding buffer as the desorbent buffer and buffer recycling by concentrating the raffinate using tangential flow filtration. With this continuous refolding process, we increased the refolding and cleavage yield of both model proteins by 10% compared to batch dilution refolding. Furthermore, more than 99% of the refolding buffer of the raffinate could be recycled which reduced the buffer consumption significantly. Based on the actual refolding data, we compared throughput, productivity, and buffer consumption between two batch dilution refolding processes - one using urea for IB dissolution, the other one using NaOH for IB dissolution - and our continuous refolding process. The higher complexity of the continuous refolding process was rewarded with higher throughput and productivity as well as significantly lower buffer consumption compared to the batch dilution refolding processes. Copyright © 2013 Elsevier B.V. All rights reserved.

Validation of the generalized model of two-phase thermosyphon loop based on experimental measurements of volumetric flow rate

NASA Astrophysics Data System (ADS)

Bieliński, Henryk

2016-09-01

The current paper presents the experimental validation of the generalized model of the two-phase thermosyphon loop. The generalized model is based on mass, momentum, and energy balances in the evaporators, rising tube, condensers and the falling tube. The theoretical analysis and the experimental data have been obtained for a new designed variant. The variant refers to a thermosyphon loop with both minichannels and conventional tubes. The thermosyphon loop consists of an evaporator on the lower vertical section and a condenser on the upper vertical section. The one-dimensional homogeneous and separated two-phase flow models were used in calculations. The latest minichannel heat transfer correlations available in literature were applied. A numerical analysis of the volumetric flow rate in the steady-state has been done. The experiment was conducted on a specially designed test apparatus. Ultrapure water was used as a working fluid. The results show that the theoretical predictions are in good agreement with the measured volumetric flow rate at steady-state.

Functional and structural characterization of the pentapeptide insertion of Theileria annulata lactate dehydrogenase by site-directed mutagenesis, comparative modeling and molecular dynamics simulations.

PubMed

Erdemir, Aysegul; Mutlu, Ozal

2017-06-01

Lactate dehydrogenase (LDH) is an important metabolic enzyme in glycolysis and it has been considered as the main energy source in many organisms including apicomplexan parasites. Differences at the active site loop of the host and parasite LDH's makes this enzyme an attractive target for drug inhibitors. In this study, five amino acid insertions in the active site pocket of Theileria annulata LDH (TaLDH) were deleted by PCR-based site-directed mutagenesis, expression and activity analysis of mutant and wild type TaLDH enzymes were performed. Removal of the insertion at the active site loop caused production of an inactive enzyme. Furthermore, structures of wild and mutant enzymes were predicted by comparative modeling and the importance of the insertions at the active site loop were also assigned by molecular docking and dynamics simulations in order to evaluate essential role of this loop for the enzymatic activity. Pentapeptide insertion removal resulted in loss of LDH activity due to deletion of Trp96 and conformational change of Arg98 because of loop instability. Analysis of wild type and mutant enzymes with comparative molecular dynamics simulations showed that the fluctuations of the loop residues increase in mutant enzyme. Together with in silico studies, in vitro results revealed that active site loop has a vital role in the enzyme activity and our findings promise hope for the further drug design studies against theileriosis and other apicomplexan parasite diseases. Copyright © 2017 Elsevier Inc. All rights reserved.

Closed Loop Two-Phase Thermosyphon of Small Dimensions: a Review of the Experimental Results

NASA Astrophysics Data System (ADS)

Franco, Alessandro; Filippeschi, Sauro

2012-06-01

A bibliographical review on the heat and mass transfer in gravity assisted Closed Loop Two Phase Thermosyphons (CLTPT) with channels having a hydraulic diameter of the order of some millimetres and input power below 1 kW is proposed. The available experimental works in the literature are critically analysed in order to highlight the main results and the correlation between mass flow rate and heat input in natural circulation loops. A comparison of different experimental apparatuses and results is made. It is observed that the results are very different among them and in many cases the experimental data disagree with the conventional theory developed for an imposed flow rate. The paper analyses the main differences among the experimental devices and try to understand these disagreements. From the present analysis it is evident that further systematic studies are required to generate a meaningful body of knowledge of the heat and mass transport mechanism in these devices for practical applications in cooling devices or energy systems.

Writing and compiling code into biochemistry.

PubMed

Shea, Adam; Fett, Brian; Riedel, Marc D; Parhi, Keshab

2010-01-01

This paper presents a methodology for translating iterative arithmetic computation, specified as high-level programming constructs, into biochemical reactions. From an input/output specification, we generate biochemical reactions that produce output quantities of proteins as a function of input quantities performing operations such as addition, subtraction, and scalar multiplication. Iterative constructs such as "while" loops and "for" loops are implemented by transferring quantities between protein types, based on a clocking mechanism. Synthesis first is performed at a conceptual level, in terms of abstract biochemical reactions - a task analogous to high-level program compilation. Then the results are mapped onto specific biochemical reactions selected from libraries - a task analogous to machine language compilation. We demonstrate our approach through the compilation of a variety of standard iterative functions: multiplication, exponentiation, discrete logarithms, raising to a power, and linear transforms on time series. The designs are validated through transient stochastic simulation of the chemical kinetics. We are exploring DNA-based computation via strand displacement as a possible experimental chassis.

Cell shape and negative links in regulatory motifs together control spatial information flow in signaling networks.

PubMed

Neves, Susana R; Tsokas, Panayiotis; Sarkar, Anamika; Grace, Elizabeth A; Rangamani, Padmini; Taubenfeld, Stephen M; Alberini, Cristina M; Schaff, James C; Blitzer, Robert D; Moraru, Ion I; Iyengar, Ravi

2008-05-16

The role of cell size and shape in controlling local intracellular signaling reactions, and how this spatial information originates and is propagated, is not well understood. We have used partial differential equations to model the flow of spatial information from the beta-adrenergic receptor to MAPK1,2 through the cAMP/PKA/B-Raf/MAPK1,2 network in neurons using real geometries. The numerical simulations indicated that cell shape controls the dynamics of local biochemical activity of signal-modulated negative regulators, such as phosphodiesterases and protein phosphatases within regulatory loops to determine the size of microdomains of activated signaling components. The model prediction that negative regulators control the flow of spatial information to downstream components was verified experimentally in rat hippocampal slices. These results suggest a mechanism by which cellular geometry, the presence of regulatory loops with negative regulators, and key reaction rates all together control spatial information transfer and microdomain characteristics within cells.

Experimental demonstration of single-mode fiber coupling over relatively strong turbulence with adaptive optics.

PubMed

Chen, Mo; Liu, Chao; Xian, Hao

2015-10-10

High-speed free-space optical communication systems using fiber-optic components can greatly improve the stability of the system and simplify the structure. However, propagation through atmospheric turbulence degrades the spatial coherence of the signal beam and limits the single-mode fiber (SMF) coupling efficiency. In this paper, we analyze the influence of the atmospheric turbulence on the SMF coupling efficiency over various turbulences. The results show that the SMF coupling efficiency drops from 81% without phase distortion to 10% when phase root mean square value equals 0.3λ. The simulations of SMF coupling with adaptive optics (AO) indicate that it is inevitable to compensate the high-order aberrations for SMF coupling over relatively strong turbulence. The SMF coupling efficiency experiments, using an AO system with a 137-element deformable mirror and a Hartmann-Shack wavefront sensor, obtain average coupling efficiency increasing from 1.3% in open loop to 46.1% in closed loop under a relatively strong turbulence, D/r₀=15.1.

Sliding mode disturbance observer-based control of a twin rotor MIMO system.

PubMed

Rashad, Ramy; El-Badawy, Ayman; Aboudonia, Ahmed

2017-07-01

This work proposes a robust tracking controller for a helicopter laboratory setup known as the twin rotor MIMO system (TRMS) using an integral sliding mode controller. To eliminate the discontinuity in the control signal, the controller is augmented by a sliding mode disturbance observer. The actuator dynamics is handled using a backstepping approach which is applicable due to the continuous chattering-free nature of the command signals generated using the disturbance observer based controller. To avoid the complexity of analytically differentiating the command signals, a first order sliding mode differentiator is used. Stability analysis of the closed loop system and the ultimate boundedness of the tracking error is proved using Lyapunov stability arguments. The proposed controller is validated by several simulation studies and is compared to other schemes in the literature. Experimental results using a hardware-in-the-loop system validate the robustness and effectiveness of the proposed controller. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.

Sub-Poissonian light and photocurrent shot-noise suppression in closed opto-electronic loop

NASA Technical Reports Server (NTRS)

Masalov, A. V.; Putilin, A. A.; Vasilyev, Michael V.

1994-01-01

We examine experimentally photocurrent noise reduction in the opto-electronic closed loop. Photocurrent noise density 12.5 dB below the shot-noise was observed. So large suppression was not reached in previous experiments and cannot be explained in terms of an ordinary sub-Poissonian light in the loop. We propose the concept of anticorrelation state for the description of light in the loop.

Presenting simulation results in a nested loop plot.

PubMed

Rücker, Gerta; Schwarzer, Guido

2014-12-12

Statisticians investigate new methods in simulations to evaluate their properties for future real data applications. Results are often presented in a number of figures, e.g., Trellis plots. We had conducted a simulation study on six statistical methods for estimating the treatment effect in binary outcome meta-analyses, where selection bias (e.g., publication bias) was suspected because of apparent funnel plot asymmetry. We varied five simulation parameters: true treatment effect, extent of selection, event proportion in control group, heterogeneity parameter, and number of studies in meta-analysis. In combination, this yielded a total number of 768 scenarios. To present all results using Trellis plots, 12 figures were needed. Choosing bias as criterion of interest, we present a 'nested loop plot', a diagram type that aims to have all simulation results in one plot. The idea was to bring all scenarios into a lexicographical order and arrange them consecutively on the horizontal axis of a plot, whereas the treatment effect estimate is presented on the vertical axis. The plot illustrates how parameters simultaneously influenced the estimate. It can be combined with a Trellis plot in a so-called hybrid plot. Nested loop plots may also be applied to other criteria such as the variance of estimation. The nested loop plot, similar to a time series graph, summarizes all information about the results of a simulation study with respect to a chosen criterion in one picture and provides a suitable alternative or an addition to Trellis plots.

Experimental Evaluation of an Invasive Medical Instrument Based on a Displacement Measurement System.

PubMed

Fotiadis, Dimitris A; Astaras, Alexandros; Bamidis, Panagiotis D; Papathanasiou, Kostas; Kalfas, Anestis

2015-09-01

This paper presents a novel method for tracking the position of a medical instrument's tip. The system is based on phase locking a high frequency signal transmitted from the medical instrument's tip to a reference signal. Displacement measurement is established having the loop open, in order to get a low frequency voltage representing the medical instrument's movement; therefore, positioning is established by means of conventional measuring techniques. The voltage-controlled oscillator stage of the phase-locked loop (PLL), combined to an appropriate antenna, comprises the associated transmitter located inside the medical instrument tip. All the other low frequency PLL components, low noise amplifier and mixer, are located outside the human body, forming the receiver part of the system. The operating details of the proposed system were coded in Verilog-AMS. Simulation results indicate robust medical instrument tracking in 1-D. Experimental evaluation of the proposed position tracking system is also presented. The experiments described in this paper are based on a transmitter moving opposite a stationary receiver performing either constant velocity or uniformly accelerated movement, and also together with two stationary receivers performing constant velocity movement again. This latter setup is implemented in order to demonstrate the prototype's accuracy for planar (2-D) motion measurements. Error analysis and time-domain analysis are presented for system performance characterization. Furthermore, preliminary experimental assessment using a saline solution container to more closely approximate the human body as a radio frequency wave transmission medium has proved the system's capability of operating underneath the skin.

Nucleotide-dependent conformational states of actin

PubMed Central

Pfaendtner, Jim; Branduardi, Davide; Parrinello, Michele; Pollard, Thomas D.; Voth, Gregory A.

2009-01-01

The influence of the state of the bound nucleotide (ATP, ADP-Pi, or ADP) on the conformational free-energy landscape of actin is investigated. Nucleotide-dependent folding of the DNase-I binding (DB) loop in monomeric actin and the actin trimer is carried out using all-atom molecular dynamics (MD) calculations accelerated with a multiscale implementation of the metadynamics algorithm. Additionally, an investigation of the opening and closing of the actin nucleotide binding cleft is performed. Nucleotide-dependent free-energy profiles for all of these conformational changes are calculated within the framework of metadynamics. We find that in ADP-bound monomer, the folded and unfolded states of the DB loop have similar relative free-energy. This result helps explain the experimental difficulty in obtaining an ordered crystal structure for this region of monomeric actin. However, we find that in the ADP-bound actin trimer, the folded DB loop is stable and in a free-energy minimum. It is also demonstrated that the nucleotide binding cleft favors a closed conformation for the bound nucleotide in the ATP and ADP-Pi states, whereas the ADP state favors an open confirmation, both in the monomer and trimer. These results suggest a mechanism of allosteric interactions between the nucleotide binding cleft and the DB loop. This behavior is confirmed by an additional simulation that shows the folding free-energy as a function of the nucleotide cleft width, which demonstrates that the barrier for folding changes significantly depending on the value of the cleft width. PMID:19620726

A closed-loop multi-level model of glucose homeostasis

PubMed Central

Uluseker, Cansu; Simoni, Giulia; Dauriz, Marco; Matone, Alice

2018-01-01

Background The pathophysiologic processes underlying the regulation of glucose homeostasis are considerably complex at both cellular and systemic level. A comprehensive and structured specification for the several layers of abstraction of glucose metabolism is often elusive, an issue currently solvable with the hierarchical description provided by multi-level models. In this study we propose a multi-level closed-loop model of whole-body glucose homeostasis, coupled with the molecular specifications of the insulin signaling cascade in adipocytes, under the experimental conditions of normal glucose regulation and type 2 diabetes. Methodology/Principal findings The ordinary differential equations of the model, describing the dynamics of glucose and key regulatory hormones and their reciprocal interactions among gut, liver, muscle and adipose tissue, were designed for being embedded in a modular, hierarchical structure. The closed-loop model structure allowed self-sustained simulations to represent an ideal in silico subject that adjusts its own metabolism to the fasting and feeding states, depending on the hormonal context and invariant to circadian fluctuations. The cellular level of the model provided a seamless dynamic description of the molecular mechanisms downstream the insulin receptor in the adipocytes by accounting for variations in the surrounding metabolic context. Conclusions/Significance The combination of a multi-level and closed-loop modeling approach provided a fair dynamic description of the core determinants of glucose homeostasis at both cellular and systemic scales. This model architecture is intrinsically open to incorporate supplementary layers of specifications describing further individual components influencing glucose metabolism. PMID:29420588

Modeling the Lac repressor-operator assembly: The influence of DNA looping on Lac repressor conformation

PubMed Central

Swigon, David; Coleman, Bernard D.; Olson, Wilma K.

2006-01-01

Repression of transcription of the Escherichia coli Lac operon by the Lac repressor (LacR) is accompanied by the simultaneous binding of LacR to two operators and the formation of a DNA loop. A recently developed theory of sequence-dependent DNA elasticity enables one to relate the fine structure of the LacR–DNA complex to a wide range of heretofore-unconnected experimental observations. Here, that theory is used to calculate the configuration and free energy of the DNA loop as a function of its length and base-pair sequence, its linking number, and the end conditions imposed by the LacR tetramer. The tetramer can assume two types of conformations. Whereas a rigid V-shaped structure is observed in the crystal, EM images show extended forms in which two dimer subunits are flexibly joined. Upon comparing our computed loop configurations with published experimental observations of permanganate sensitivities, DNase I cutting patterns, and loop stabilities, we conclude that linear DNA segments of short-to-medium chain length (50–180 bp) give rise to loops with the extended form of LacR and that loops formed within negatively supercoiled plasmids induce the V-shaped structure. PMID:16785444

A microprocessor-based real-time simulator of a turbofan engine

NASA Technical Reports Server (NTRS)

Litt, Jonathan S.; Delaat, John C.; Merrill, Walter C.

1988-01-01

A real-time digital simulator of a Pratt and Whitney F 100 engine is discussed. This self-contained unit can operate in an open-loop stand-alone mode or as part of a closed-loop control system. It can also be used in control system design and development. It accepts five analog control inputs and its sixteen outputs are returned as analog signals.

Compound simulator IR radiation characteristics test and calibration

NASA Astrophysics Data System (ADS)

Li, Yanhong; Zhang, Li; Li, Fan; Tian, Yi; Yang, Yang; Li, Zhuo; Shi, Rui

2015-10-01

The Hardware-in-the-loop simulation can establish the target/interference physical radiation and interception of product flight process in the testing room. In particular, the simulation of environment is more difficult for high radiation energy and complicated interference model. Here the development in IR scene generation produced by a fiber array imaging transducer with circumferential lamp spot sources is introduced. The IR simulation capability includes effective simulation of aircraft signatures and point-source IR countermeasures. Two point-sources as interference can move in two-dimension random directions. For simulation the process of interference release, the radiation and motion characteristic is tested. Through the zero calibration for optical axis of simulator, the radiation can be well projected to the product detector. The test and calibration results show the new type compound simulator can be used in the hardware-in-the-loop simulation trial.

James Webb Space Telescope optical simulation testbed IV: linear control alignment of the primary segmented mirror

NASA Astrophysics Data System (ADS)

Egron, Sylvain; Soummer, Rémi; Lajoie, Charles-Philippe; Bonnefois, Aurélie; Long, Joseph; Michau, Vincent; Choquet, Elodie; Ferrari, Marc; Leboulleux, Lucie; Levecq, Olivier; Mazoyer, Johan; N'Diaye, Mamadou; Perrin, Marshall; Petrone, Peter; Pueyo, Laurent; Sivaramakrishnan, Anand

2017-09-01

The James Webb Space Telescope (JWST) Optical Simulation Testbed (JOST) is a tabletop experiment designed to study wavefront sensing and control for a segmented space telescope, such as JWST. With the JWST Science and Operations Center co-located at STScI, JOST was developed to provide both a platform for staff training and to test alternate wavefront sensing and control strategies for independent validation or future improvements beyond the baseline operations. The design of JOST reproduces the physics of JWST's three-mirror anastigmat (TMA) using three custom aspheric lenses. It provides similar quality image as JWST (80% Strehl ratio) over a field equivalent to a NIRCam module, but at 633 nm. An Iris AO segmented mirror stands for the segmented primary mirror of JWST. Actuators allow us to control (1) the 18 segments of the segmented mirror in piston, tip, tilt and (2) the second lens, which stands for the secondary mirror, in tip, tilt and x, y, z positions. We present the most recent experimental results for the segmented mirror alignment. Our implementation of the Wavefront Sensing (WFS) algorithms using phase diversity is tested on simulation and experimentally. The wavefront control (WFC) algorithms, which rely on a linear model for optical aberrations induced by misalignment of the secondary lens and the segmented mirror, are tested and validated both on simulations and experimentally. In this proceeding, we present the performance of the full active optic control loop in presence of perturbations on the segmented mirror, and we detail the quality of the alignment correction.

Theoretical analysis, design and development of a 27-MHz folded loop antenna as a potential applicator in hyperthermia treatment.

PubMed

Kouloulias, Vassilis; Karanasiou, Irene; Giamalaki, Melina; Matsopoulos, George; Kouvaris, John; Kelekis, Nikolaos; Uzunoglu, Nikolaos

2015-02-01

A hyperthermia system using a folded loop antenna applicator at 27 MHz for soft tissue treatment was investigated both theoretically and experimentally to evaluate its clinical value. The electromagnetic analysis of a 27-MHz folded loop antenna for use in human tissue was based on a customised software tool and led to the design and development of the proposed hyperthermia system. The system was experimentally validated using specific absorption rate (SAR) distribution estimations through temperature distribution measurements of a muscle tissue phantom after electromagnetic exposure. Various scenarios for optimal antenna positioning were also performed. Comparison of the theoretical and experimental analysis results shows satisfactory agreement. The SAR level of 50% reaches 8 cm depth in the tissue phantom. Thus, based on the maximum observed SAR values that were of the order of 100 W/kg, the antenna specified is suitable for deep tumour heating. Theoretical and experimental SAR distribution results as derived from this study are in agreement. The proposed folded loop antenna seems appropriate for use in hyperthermia treatment, achieving proper planning and local treatment of deeply seated affected areas and lesions.

Verification of Loop Diagnostics

NASA Technical Reports Server (NTRS)

Winebarger, A.; Lionello, R.; Mok, Y.; Linker, J.; Mikic, Z.

2014-01-01

Many different techniques have been used to characterize the plasma in the solar corona: density-sensitive spectral line ratios are used to infer the density, the evolution of coronal structures in different passbands is used to infer the temperature evolution, and the simultaneous intensities measured in multiple passbands are used to determine the emission measure. All these analysis techniques assume that the intensity of the structures can be isolated through background subtraction. In this paper, we use simulated observations from a 3D hydrodynamic simulation of a coronal active region to verify these diagnostics. The density and temperature from the simulation are used to generate images in several passbands and spectral lines. We identify loop structures in the simulated images and calculate the loop background. We then determine the density, temperature and emission measure distribution as a function of time from the observations and compare with the true temperature and density of the loop. We find that the overall characteristics of the temperature, density, and emission measure are recovered by the analysis methods, but the details of the true temperature and density are not. For instance, the emission measure curves calculated from the simulated observations are much broader than the true emission measure distribution, though the average temperature evolution is similar. These differences are due, in part, to inadequate background subtraction, but also indicate a limitation of the analysis methods.

A real-time simulator of a turbofan engine

NASA Technical Reports Server (NTRS)

Litt, Jonathan S.; Delaat, John C.; Merrill, Walter C.

1989-01-01

A real-time digital simulator of a Pratt and Whitney F100 engine has been developed for real-time code verification and for actuator diagnosis during full-scale engine testing. This self-contained unit can operate in an open-loop stand-alone mode or as part of closed-loop control system. It can also be used for control system design and development. Tests conducted in conjunction with the NASA Advanced Detection, Isolation, and Accommodation program show that the simulator is a valuable tool for real-time code verification and as a real-time actuator simulator for actuator fault diagnosis. Although currently a small perturbation model, advances in microprocessor hardware should allow the simulator to evolve into a real-time, full-envelope, full engine simulation.

Heat Pump Clothes Dryer Model Development

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

Shen, Bo

A heat pump clothes dryer (HPCD) is an innovative appliance that uses a vapor compression system to dry clothes. Air circulates in a closed loop through the drum, so no vent is required. The condenser heats air to evaporate moisture out of the clothes, and the evaporator condenses water out of the air stream. As a result, the HPCD can achieve 50% energy savings compared to a conventional electric resistance dryer. We developed a physics-based, quasi-steady-state HPCD system model with detailed heat exchanger and compressor models. In a novel approach, we applied a heat and mass transfer effectiveness model tomore » simulate the drying process of the clothes load in the drum. The system model is able to simulate the inherently transient HPCD drying process, to size components, and to reveal trends in key variables (e.g. compressor discharge temperature, power consumption, required drying time, etc.) The system model was calibrated using experimental data on a prototype HPCD. In the paper, the modeling method is introduced, and the model predictions are compared with experimental data measured on a prototype HPCD.« less

Experimental Study of a Nitrogen Natural Circulation Loop at Low Heat Flux

NASA Astrophysics Data System (ADS)

Baudouy, B.

2010-04-01

A natural convection circulation loop in liquid nitrogen, i.e. an open thermosiphon flow configuration, has been investigated experimentally near atmospheric pressure. The experiments were conducted on a 2 m high loop with a copper tube of 10 mm inner diameter uniformly heated over a length of 0.95 m. Evolution of the total mass flow rate of the loop and the pressure difference along the tube are described. We also report the boiling curves where single phase and two-phase flows are identified with increasing heat flux. We focus our heat transfer analysis on the single phase regime where mixed convection is encountered. A heat transfer coefficient correlation is proposed. We also examine the boiling incipience as a function of the tube height.

Discovery of a regioselectivity switch in nitrating P450s guided by molecular dynamics simulations and Markov models

NASA Astrophysics Data System (ADS)

Dodani, Sheel C.; Kiss, Gert; Cahn, Jackson K. B.; Su, Ye; Pande, Vijay S.; Arnold, Frances H.

2016-05-01

The dynamic motions of protein structural elements, particularly flexible loops, are intimately linked with diverse aspects of enzyme catalysis. Engineering of these loop regions can alter protein stability, substrate binding and even dramatically impact enzyme function. When these flexible regions are unresolvable structurally, computational reconstruction in combination with large-scale molecular dynamics simulations can be used to guide the engineering strategy. Here we present a collaborative approach that consists of both experiment and computation and led to the discovery of a single mutation in the F/G loop of the nitrating cytochrome P450 TxtE that simultaneously controls loop dynamics and completely shifts the enzyme's regioselectivity from the C4 to the C5 position of L-tryptophan. Furthermore, we find that this loop mutation is naturally present in a subset of homologous nitrating P450s and confirm that these uncharacterized enzymes exclusively produce 5-nitro-L-tryptophan, a previously unknown biosynthetic intermediate.

Adsorption of finite semiflexible polymers and their loop and tail distributions

NASA Astrophysics Data System (ADS)

Kampmann, Tobias A.; Kierfeld, Jan

2017-07-01

We discuss the adsorption of semiflexible polymers to a planar attractive wall and focus on the questions of the adsorption threshold for polymers of finite length and their loop and tail distributions using both Monte Carlo simulations and analytical arguments. For the adsorption threshold, we find three regimes: (i) a flexible or Gaussian regime if the persistence length is smaller than the adsorption potential range, (ii) a semiflexible regime if the persistence length is larger than the potential range, and (iii) for finite polymers, a novel crossover to a rigid rod regime if the deflection length exceeds the contour length. In the flexible and semiflexible regimes, finite size corrections arise because the correlation length exceeds the contour length. In the rigid rod regime, however, it is essential how the global orientational or translational degrees of freedom are restricted by grafting or confinement. We discuss finite size corrections for polymers grafted to the adsorbing surface and for polymers confined by a second (parallel) hard wall. Based on these results, we obtain a method to analyze adsorption data for finite semiflexible polymers such as filamentous actin. For the loop and tail distributions, we find power laws with an exponential decay on length scales exceeding the correlation length. We derive and confirm the loop and tail power law exponents for flexible and semiflexible polymers. This allows us to explain that, close to the transition, semiflexible polymers have significantly smaller loops and both flexible and semiflexible polymers desorb by expanding their tail length. The tail distribution allows us to extract the free energy per length of adsorption for actin filaments from experimental data [D. Welch et al., Soft Matter 11, 7507 (2015)].

Repertoire Analysis of Antibody CDR-H3 Loops Suggests Affinity Maturation Does Not Typically Result in Rigidification

PubMed Central

Jeliazkov, Jeliazko R.; Sljoka, Adnan; Kuroda, Daisuke; Tsuchimura, Nobuyuki; Katoh, Naoki; Tsumoto, Kouhei; Gray, Jeffrey J.

2018-01-01

Antibodies can rapidly evolve in specific response to antigens. Affinity maturation drives this evolution through cycles of mutation and selection leading to enhanced antibody specificity and affinity. Elucidating the biophysical mechanisms that underlie affinity maturation is fundamental to understanding B-cell immunity. An emergent hypothesis is that affinity maturation reduces the conformational flexibility of the antibody’s antigen-binding paratope to minimize entropic losses incurred upon binding. In recent years, computational and experimental approaches have tested this hypothesis on a small number of antibodies, often observing a decrease in the flexibility of the complementarity determining region (CDR) loops that typically comprise the paratope and in particular the CDR-H3 loop, which contributes a plurality of antigen contacts. However, there were a few exceptions and previous studies were limited to a small handful of cases. Here, we determined the structural flexibility of the CDR-H3 loop for thousands of recent homology models of the human peripheral blood cell antibody repertoire using rigidity theory. We found no clear delineation in the flexibility of naïve and antigen-experienced antibodies. To account for possible sources of error, we additionally analyzed hundreds of human and mouse antibodies in the Protein Data Bank through both rigidity theory and B-factor analysis. By both metrics, we observed only a slight decrease in the CDR-H3 loop flexibility when comparing affinity matured antibodies to naïve antibodies, and the decrease was not as drastic as previously reported. Further analysis, incorporating molecular dynamics simulations, revealed a spectrum of changes in flexibility. Our results suggest that rigidification may be just one of many biophysical mechanisms for increasing affinity. PMID:29545810

Proteins with Novel Structure, Function and Dynamics

NASA Technical Reports Server (NTRS)

Pohorille, Andrew

2014-01-01

Recently, a small enzyme that ligates two RNA fragments with the rate of 10(exp 6) above background was evolved in vitro (Seelig and Szostak, Nature 448:828-831, 2007). This enzyme does not resemble any contemporary protein (Chao et al., Nature Chem. Biol. 9:81-83, 2013). It consists of a dynamic, catalytic loop, a small, rigid core containing two zinc ions coordinated by neighboring amino acids, and two highly flexible tails that might be unimportant for protein function. In contrast to other proteins, this enzyme does not contain ordered secondary structure elements, such as alpha-helix or beta-sheet. The loop is kept together by just two interactions of a charged residue and a histidine with a zinc ion, which they coordinate on the opposite side of the loop. Such structure appears to be very fragile. Surprisingly, computer simulations indicate otherwise. As the coordinating, charged residue is mutated to alanine, another, nearby charged residue takes its place, thus keeping the structure nearly intact. If this residue is also substituted by alanine a salt bridge involving two other, charged residues on the opposite sides of the loop keeps the loop in place. These adjustments are facilitated by high flexibility of the protein. Computational predictions have been confirmed experimentally, as both mutants retain full activity and overall structure. These results challenge our notions about what is required for protein activity and about the relationship between protein dynamics, stability and robustness. We hypothesize that small, highly dynamic proteins could be both active and fault tolerant in ways that many other proteins are not, i.e. they can adjust to retain their structure and activity even if subjected to mutations in structurally critical regions. This opens the doors for designing proteins with novel functions, structures and dynamics that have not been yet considered.

Mechanism of autophosphorylation of mycobacterial PknB explored by molecular dynamics simulations.

PubMed

Damle, Nikhil P; Mohanty, Debasisa

2014-07-22

Mycobacterial Ser/Thr kinase, PknB, is essential for the growth of the pathogen. Unphosphorylated PknB is catalytically inactive, and its activation requires autophosphorylation of Thr residues on the activation loop. Autophosphorylation can in principle take place via two distinct mechanisms. Intermolecular trans autophosphorylation involves dimerization and phosphorylation of the activation loop of one chain in the catalytic pocket of the other chain. On the other hand, intramolecular cis autophosphorylation involves phosphorylation of the activation loop of the kinases in its own catalytic pocket within a monomer. On the basis of the crystal structure of PknB in the front-to-front dimeric form, it is currently believed that activation of PknB involves trans autophosphorylation. However, because of the lack of coordinates of the activation loop in the crystal structures, atomic details of the conformational changes associated with activation are yet to be deciphered. Therefore, to understand the conformational transitions associated with activation via autophosphorylation, a series of explicit solvent molecular dynamics simulations with a duration of 1 μs have been performed on each of the phosphorylated and nonphosphorylated forms of the PknB catalytic domain in monomeric and dimeric states. Simulations on phosphorylated PknB revealed a differential network of crucial electrostatic and hydrophobic residues that stabilize the phosphorylated form in the active conformation. Interestingly, in our simulations on nonphosphorylated monomers, the activation loop was observed to fold into its own active site, thereby opening the novel possibility of activation through intramolecular cis autophosphorylation. Thus, our simulations suggest that autophosphorylation of PknB might also involve cis initiation followed by trans amplification as reported for other eukaryotic kinases based on recent reaction kinetics studies.

Performance of the all-digital data-transition tracking loop in the advanced receiver

NASA Astrophysics Data System (ADS)

Cheng, U.; Hinedi, S.

1989-11-01

The performance of the all-digital data-transition tracking loop (DTTL) with coherent or noncoherent sampling is described. The effects of few samples per symbol and of noncommensurate sampling rates and symbol rates are addressed and analyzed. Their impacts on the loop phase-error variance and the mean time to lose lock (MTLL) are quantified through computer simulations. The analysis and preliminary simulations indicate that with three to four samples per symbol, the DTTL can track with negligible jitter because of the presence of earth Doppler rate. Furthermore, the MTLL is also expected to be large engough to maintain lock over a Deep Space Network track.

A theoretical study of the initiation, maintenance and termination of gastric slow wave re-entry.

PubMed

Du, Peng; Paskaranandavadivel, Niranchan; O'Grady, Greg; Tang, Shou-Jiang; Cheng, Leo K

2015-12-01

Gastric slow wave dysrhythmias are associated with motility disorders. Periods of tachygastria associated with slow wave re-entry were recently recognized as one important dysrhythmia mechanism, but factors promoting and sustaining gastric re-entry are currently unknown. This study reports two experimental forms of gastric re-entry and presents a series of multi-scale models that define criteria for slow wave re-entry initiation, maintenance and termination. High-resolution electrical mapping was conducted in porcine and canine models and two spatiotemporal patterns of re-entrant activities were captured: single-loop rotor and double-loop figure-of-eight. Two separate multi-scale mathematical models were developed to reproduce the velocity and entrainment frequency of these experimental recordings. A single-pulse stimulus was used to invoke a rotor re-entry in the porcine model and a figure-of-eight re-entry in the canine model. In both cases, the simulated re-entrant activities were found to be perpetuated by tachygastria that was accompanied by a reduction in the propagation velocity in the re-entrant pathways. The simulated re-entrant activities were terminated by a single-pulse stimulus targeted at the tip of re-entrant wave, after which normal antegrade propagation was restored by the underlying intrinsic frequency gradient. (i) the stability of re-entry is regulated by stimulus timing, intrinsic frequency gradient and conductivity; (ii) tachygastria due to re-entry increases the frequency gradient while showing decreased propagation velocity; (iii) re-entry may be effectively terminated by a targeted stimulus at the core, allowing the intrinsic slow wave conduction system to re-establish itself. © The authors 2014. Published by Oxford University Press on behalf of the Institute of Mathematics and its Applications. All rights reserved.