A robust nonlinear stabilizer as a controller for improving transient stability in micro-grids.

PubMed

Azimi, Seyed Mohammad; Afsharnia, Saeed

2017-01-01

This paper proposes a parametric-Lyapunov approach to the design of a stabilizer aimed at improving the transient stability of micro-grids (MGs). This strategy is applied to electronically-interfaced distributed resources (EI-DRs) operating with a unified control configuration applicable to all operational modes (i.e. grid-connected mode, islanded mode, and mode transitions). The proposed approach employs a simple structure compared with other nonlinear controllers, allowing ready implementation of the stabilizer. A new parametric-Lyapunov function is proposed rendering the proposed stabilizer more effective in damping system transition transients. The robustness of the proposed stabilizer is also verified based on both time-domain simulations and mathematical proofs, and an ultimate bound has been derived for the frequency transition transients. The proposed stabilizer operates by deploying solely local information and there are no needs for communication links. The deteriorating effects of the primary resource delays on the transient stability are also treated analytically. Finally, the effectiveness of the proposed stabilizer is evaluated through time-domain simulations and compared with the recently-developed stabilizers performed on a multi-resource MG. Copyright © 2016 ISA. Published by Elsevier Ltd. All rights reserved.

Two-Relaxation-Time Lattice Boltzmann Method and its Application to Advective-Diffusive-Reactive Transport

DOE PAGES

Yan, Zhifeng; Yang, Xiaofan; Li, Siliang; ...

2017-09-05

The lattice Boltzmann method (LBM) based on single-relaxation-time (SRT) or multiple-relaxation-time (MRT) collision operators is widely used in simulating flow and transport phenomena. The LBM based on two-relaxation-time (TRT) collision operators possesses strengths from the SRT and MRT LBMs, such as its simple implementation and good numerical stability, although tedious mathematical derivations and presentations of the TRT LBM hinder its application to a broad range of flow and transport phenomena. This paper describes the TRT LBM clearly and provides a pseudocode for easy implementation. Various transport phenomena were simulated using the TRT LBM to illustrate its applications in subsurface environments.more » These phenomena include advection-diffusion in uniform flow, Taylor dispersion in a pipe, solute transport in a packed column, reactive transport in uniform flow, and bacterial chemotaxis in porous media. Finally, the TRT LBM demonstrated good numerical performance in terms of accuracy and stability in predicting these transport phenomena. Therefore, the TRT LBM is a powerful tool to simulate various geophysical and biogeochemical processes in subsurface environments.« less

Two-relaxation-time lattice Boltzmann method and its application to advective-diffusive-reactive transport

NASA Astrophysics Data System (ADS)

Yan, Zhifeng; Yang, Xiaofan; Li, Siliang; Hilpert, Markus

2017-11-01

The lattice Boltzmann method (LBM) based on single-relaxation-time (SRT) or multiple-relaxation-time (MRT) collision operators is widely used in simulating flow and transport phenomena. The LBM based on two-relaxation-time (TRT) collision operators possesses strengths from the SRT and MRT LBMs, such as its simple implementation and good numerical stability, although tedious mathematical derivations and presentations of the TRT LBM hinder its application to a broad range of flow and transport phenomena. This paper describes the TRT LBM clearly and provides a pseudocode for easy implementation. Various transport phenomena were simulated using the TRT LBM to illustrate its applications in subsurface environments. These phenomena include advection-diffusion in uniform flow, Taylor dispersion in a pipe, solute transport in a packed column, reactive transport in uniform flow, and bacterial chemotaxis in porous media. The TRT LBM demonstrated good numerical performance in terms of accuracy and stability in predicting these transport phenomena. Therefore, the TRT LBM is a powerful tool to simulate various geophysical and biogeochemical processes in subsurface environments.

Two-Relaxation-Time Lattice Boltzmann Method and its Application to Advective-Diffusive-Reactive Transport

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

Yan, Zhifeng; Yang, Xiaofan; Li, Siliang

The lattice Boltzmann method (LBM) based on single-relaxation-time (SRT) or multiple-relaxation-time (MRT) collision operators is widely used in simulating flow and transport phenomena. The LBM based on two-relaxation-time (TRT) collision operators possesses strengths from the SRT and MRT LBMs, such as its simple implementation and good numerical stability, although tedious mathematical derivations and presentations of the TRT LBM hinder its application to a broad range of flow and transport phenomena. This paper describes the TRT LBM clearly and provides a pseudocode for easy implementation. Various transport phenomena were simulated using the TRT LBM to illustrate its applications in subsurface environments.more » These phenomena include advection-diffusion in uniform flow, Taylor dispersion in a pipe, solute transport in a packed column, reactive transport in uniform flow, and bacterial chemotaxis in porous media. Finally, the TRT LBM demonstrated good numerical performance in terms of accuracy and stability in predicting these transport phenomena. Therefore, the TRT LBM is a powerful tool to simulate various geophysical and biogeochemical processes in subsurface environments.« less

A gimbal platform stabilization for topographic applications

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

Michele, Mangiameli, E-mail: michele.mangiameli@dica.unict.it; Giuseppe, Mussumeci

2015-03-10

The aim of this work is the stabilization of a Gimbal platform for optical sensors acquisitions in topographic applications using mobile vehicles. The stabilization of the line of sight (LOS) consists in tracking the command velocity in presence of nonlinear noise due to the external environment. The hardware architecture is characterized by an Ardupilot platform that allows the control of both the mobile device and the Gimbal. Here we developed a new approach to stabilize the Gimbal platform, which is based on neural network. For the control system, we considered a plant that represents the transfer function of the servomore » system control model for an inertial stabilized Gimbal platform. The transductor used in the feed-back line control is characterized by the Rate Gyro transfer function installed onboard of Ardupilot. For the simulation and investigation of the system performance, we used the Simulink tool of Matlab. Results show that the hardware/software approach is efficient, reliable and cheap for direct photogrammetry, as well as for general purpose applications using mobile vehicles.« less

Stabilization Approaches for Linear and Nonlinear Reduced Order Models

NASA Astrophysics Data System (ADS)

Rezaian, Elnaz; Wei, Mingjun

2017-11-01

It has been a major concern to establish reduced order models (ROMs) as reliable representatives of the dynamics inherent in high fidelity simulations, while fast computation is achieved. In practice it comes to stability and accuracy of ROMs. Given the inviscid nature of Euler equations it becomes more challenging to achieve stability, especially where moving discontinuities exist. Originally unstable linear and nonlinear ROMs are stabilized here by two approaches. First, a hybrid method is developed by integrating two different stabilization algorithms. At the same time, symmetry inner product is introduced in the generation of ROMs for its known robust behavior for compressible flows. Results have shown a notable improvement in computational efficiency and robustness compared to similar approaches. Second, a new stabilization algorithm is developed specifically for nonlinear ROMs. This method adopts Particle Swarm Optimization to enforce a bounded ROM response for minimum discrepancy between the high fidelity simulation and the ROM outputs. Promising results are obtained in its application on the nonlinear ROM of an inviscid fluid flow with discontinuities. Supported by ARL.

Application of the Forest Vegetation Simulator in evaluating management for old-growth characteristics in southwestern mixed conifer forests

Treesearch

Claudia M. Regan; Wayne D. Shepperd; Robert A. Obedzinski

1995-01-01

We used the Forest Vegetation Simulator (FVS) and GRAFM graphics display to investigate conditions associated with the stability of an old-growth stand and to evaluate the potential for two managed stands of contrasting but representative conditions to develop structures similar to the old-growth stand. Simulations indicate that the example old-growth stand can retain...

Engineering Lipases: walking the fine line between activity and stability

NASA Astrophysics Data System (ADS)

Dasetty, Siva; Blenner, Mark A.; Sarupria, Sapna

2017-11-01

Lipases are enzymes that hydrolyze lipids and have several industrial applications. There is a tremendous effort in engineering the activity, specificity and stability of lipases to render them functional in a variety of environmental conditions. In this review, we discuss the recent experimental and simulation studies focused on engineering lipases. Experimentally, mutagenesis studies have demonstrated that the activity, stability, and specificity of lipases can be modulated by mutations. It has been particularly challenging however, to elucidate the underlying mechanisms through which these mutations affect the lipase properties. We summarize results from experiments and molecular simulations highlighting the emerging picture to this end. We end the review with suggestions for future research which underscores the delicate balance of various facets in the lipase that affect their activity and stability necessitating the consideration of the enzyme as a network of interactions.

DEVELOPMENT OF HIGHLY-EFFICIENT AQUAPORIN-BASED WATER TREATMENTMEMBRANES FOR DESALINATION AND CONTAMINANT REMOVAL

EPA Science Inventory

As an outcome of this project data on the applicability of protein polymer membranes for application to water desalination will be obtained. This will provide information on the stability and permeability of these membranes under simulated desalination conditions. The struct...

Using phase locking for improving frequency stability and tunability of THz-band gyrotrons

NASA Astrophysics Data System (ADS)

Adilova, Asel B.; Gerasimova, Svetlana A.; Melnikova, Maria M.; Tyshkun, Alexandra V.; Rozhnev, Andrey G.; Ryskin, Nikita M.

2018-04-01

Medium-power (10-100 W) THz-band gyrotrons operating in a continuous-wave (CW) mode are of great importance for many applications such as NMR spectroscopy with dynamic nuclear polarization (DNP/NMR), plasma diagnostics, nondestructive inspection, stand-off detection of radioactive materials, biomedical applications, etc. For all these applications, high frequency stability and tunability within 1-2 GHz frequency range is typically required. Apart from different existing techniques for frequency stabilization, phase locking has recently attracted strong interest. In this paper, we present the results of theoretical analysis and numerical simulation for several phase locking techniques: (a) phase locking by injection of the external driving signal; (b) mutual phase locking of two coupled gyrotrons; and (c) selfinjection locking by a wave reflected from the remote load.

A brief review of models of DC-DC power electronic converters for analysis of their stability

NASA Astrophysics Data System (ADS)

Siewniak, Piotr; Grzesik, Bogusław

2014-10-01

A brief review of models of DC-DC power electronic converters (PECs) is presented in this paper. It contains the most popular, continuous-time and discrete-time models used for PEC simulation, design, stability analysis and other applications. Both large-signal and small-signal models are considered. Special attention is paid to models that are used in practice for the analysis of the global and local stability of PECs.

iCrowd: agent-based behavior modeling and crowd simulator

NASA Astrophysics Data System (ADS)

Kountouriotis, Vassilios I.; Paterakis, Manolis; Thomopoulos, Stelios C. A.

2016-05-01

Initially designed in the context of the TASS (Total Airport Security System) FP-7 project, the Crowd Simulation platform developed by the Integrated Systems Lab of the Institute of Informatics and Telecommunications at N.C.S.R. Demokritos, has evolved into a complete domain-independent agent-based behavior simulator with an emphasis on crowd behavior and building evacuation simulation. Under continuous development, it reflects an effort to implement a modern, multithreaded, data-oriented simulation engine employing latest state-of-the-art programming technologies and paradigms. It is based on an extensible architecture that separates core services from the individual layers of agent behavior, offering a concrete simulation kernel designed for high-performance and stability. Its primary goal is to deliver an abstract platform to facilitate implementation of several Agent-Based Simulation solutions with applicability in several domains of knowledge, such as: (i) Crowd behavior simulation during [in/out] door evacuation. (ii) Non-Player Character AI for Game-oriented applications and Gamification activities. (iii) Vessel traffic modeling and simulation for Maritime Security and Surveillance applications. (iv) Urban and Highway Traffic and Transportation Simulations. (v) Social Behavior Simulation and Modeling.

Runtime visualization of the human arterial tree.

PubMed

Insley, Joseph A; Papka, Michael E; Dong, Suchuan; Karniadakis, George; Karonis, Nicholas T

2007-01-01

Large-scale simulation codes typically execute for extended periods of time and often on distributed computational resources. Because these simulations can run for hours, or even days, scientists like to get feedback about the state of the computation and the validity of its results as it runs. It is also important that these capabilities be made available with little impact on the performance and stability of the simulation. Visualizing and exploring data in the early stages of the simulation can help scientists identify problems early, potentially avoiding a situation where a simulation runs for several days, only to discover that an error with an input parameter caused both time and resources to be wasted. We describe an application that aids in the monitoring and analysis of a simulation of the human arterial tree. The application provides researchers with high-level feedback about the state of the ongoing simulation and enables them to investigate particular areas of interest in greater detail. The application also offers monitoring information about the amount of data produced and data transfer performance among the various components of the application.

Global stability of a multiple delayed viral infection model with general incidence rate and an application to HIV infection.

PubMed

Ji, Yu

2015-06-01

In this paper, the dynamical behavior of a viral infection model with general incidence rate and two time delays is studied. By using the Lyapunov functional and LaSalle invariance principle, the global stabilities of the infection-free equilibrium and the endemic equilibrium are obtained. We obtain a threshold of the global stability for the uninfected equilibrium, which means the disease will be under control eventually. These results can be applied to a variety of viral infections of disease that would make it possible to devise optimal treatment strategies. Numerical simulations with application to HIV infection are given to verify the analytical results.

Compressor stability management

NASA Astrophysics Data System (ADS)

Dhingra, Manuj

Dynamic compressors are susceptible to aerodynamic instabilities while operating at low mass flow rates. These instabilities, rotating stall and surge, are detrimental to engine life and operational safety, and are thus undesirable. In order to prevent stability problems, a passive technique, involving fuel flow scheduling, is currently employed on gas turbines. The passive nature of this technique necessitates conservative stability margins, compromising performance and/or efficiency. In the past, model based active control has been proposed to enable reduction of margin requirements. However, available compressor stability models do not predict the different stall inception patterns, making model based control techniques practically infeasible. This research presents active stability management as a viable alternative. In particular, a limit detection and avoidance approach has been used to maintain the system free of instabilities. Simulations show significant improvements in the dynamic response of a gas turbine engine with this approach. A novel technique has been developed to enable real-time detection of stability limits in axial compressors. It employs a correlation measure to quantify the chaos in the rotor tip region. Analysis of data from four axial compressors shows that the value of the correlation measure decreases as compressor loading is increased. Moreover, sharp drops in this measure have been found to be relevant for stability limit detection. The significance of these drops can be captured by tracking events generated by the downward crossing of a selected threshold level. It has been observed that the average number of events increases as the stability limit is approached in all the compressors studied. These events appear to be randomly distributed in time. A stochastic model for the time between consecutive events has been developed and incorporated in an engine simulation. The simulation has been used to highlight the importance of the threshold level to successful stability management. The compressor stability management concepts have also been experimentally demonstrated on a laboratory axial compressor rig. The fundamental nature of correlation measure has opened avenues for its application besides limit detection. The applications presented include stage load matching in a multi-stage compressor and monitoring the aerodynamic health of rotor blades.

Formation stability analysis of unmanned multi-vehicles under interconnection topologies

NASA Astrophysics Data System (ADS)

Yang, Aolei; Naeem, Wasif; Fei, Minrui

2015-04-01

In this paper, the overall formation stability of an unmanned multi-vehicle is mathematically presented under interconnection topologies. A novel definition of formation error is first given and followed by the proposed formation stability hypothesis. Based on this hypothesis, a unique extension-decomposition-aggregation scheme is then employed to support the stability analysis for the overall multi-vehicle formation under a mesh topology. It is proved that the overall formation control system consisting of N number of nonlinear vehicles is not only asymptotically stable, but also exponentially stable in the sense of Lyapunov within a neighbourhood of the desired formation. This technique is shown to be applicable for a mesh topology but is equally applicable for other topologies. A simulation study of the formation manoeuvre of multiple Aerosonde UAVs (unmanned aerial vehicles), in 3-D space, is finally carried out verifying the achieved formation stability result.

Early Dynamics and Stabilization Mechanisms of Oil-in-Water Emulsions Containing Colloidal Particles Modified with Short Amphiphiles: A Numerical Study.

PubMed

Cerbelaud, Manuella; Videcoq, Arnaud; Alison, Lauriane; Tervoort, Elena; Studart, André R

2017-12-19

Emulsions stabilized by mixtures of particles and amphiphilic molecules are relevant for a wide range of applications, but their dynamics and stabilization mechanisms on the colloidal level are poorly understood. Given the challenges to experimentally probe the early dynamics and mechanisms of droplet stabilization, Brownian dynamics simulations are developed here to study the behavior of oil-in-water emulsions stabilized by colloidal particles modified with short amphiphiles. Simulation parameters are based on an experimental system that consists of emulsions obtained with octane as the oil phase and a suspension of alumina colloidal particles modified with short carboxylic acids as the continuous aqueous medium. The numerical results show that attractive forces between the colloidal particles favor the formation of closely packed clusters on the droplet surface or of a percolating network of particles throughout the continuous phase, depending on the amphiphile concentration. Simulations also reveal the importance of a strong adsorption of particles at the liquid interface to prevent their depletion from the droplet surface when another droplet approaches. Strongly adsorbed particles remain immobile on the droplet surface, generating an effective steric barrier against droplet coalescence. These findings provide new insights into the early dynamics and mechanisms of stabilization of emulsions using particles and amphiphilic molecules.

Environmental and Mechanical Stability of Environmental Barrier Coated SA Tyrannohex SiC Composites Under Simulated Turbine Engine Environments

NASA Technical Reports Server (NTRS)

Zhu, Dongming; Halbig, Michael Charles; Sing, Mrityunjay

2014-01-01

The environmental stability and thermal gradient cyclic durability performance of SA Tyrannohex composites were investigated for turbine engine component applications. The work has been focused on investigating the combustion rig recession, cyclic thermal stress resistance and thermomechanical low cycle fatigue of uncoated and environmental barrier coated Tyrannohex SiC SA composites in simulated turbine engine combustion water vapor, thermal gradients, and mechanical loading conditions. Flexural strength degradations have been evaluated, and the upper limits of operating temperature conditions for the SA composite material systems are discussed based on the experimental results.

Flight Simulator Visual-Display Delay Compensation

NASA Technical Reports Server (NTRS)

Crane, D. Francis

1981-01-01

A piloted aircraft can be viewed as a closed-loop man-machine control system. When a simulator pilot is performing a precision maneuver, a delay in the visual display of aircraft response to pilot-control input decreases the stability of the pilot-aircraft system. The less stable system is more difficult to control precisely. Pilot dynamic response and performance change as the pilot attempts to compensate for the decrease in system stability. The changes in pilot dynamic response and performance bias the simulation results by influencing the pilot's rating of the handling qualities of the simulated aircraft. The study reported here evaluated an approach to visual-display delay compensation. The objective of the compensation was to minimize delay-induced change in pilot performance and workload, The compensation was effective. Because the compensation design approach is based on well-established control-system design principles, prospects are favorable for successful application of the approach in other simulations.

Improved image reconstruction of low-resolution multichannel phase contrast angiography

PubMed Central

P. Krishnan, Akshara; Joy, Ajin; Paul, Joseph Suresh

2016-01-01

Abstract. In low-resolution phase contrast magnetic resonance angiography, the maximum intensity projected channel images will be blurred with consequent loss of vascular details. The channel images are enhanced using a stabilized deblurring filter, applied to each channel prior to combining the individual channel images. The stabilized deblurring is obtained by the addition of a nonlocal regularization term to the reverse heat equation, referred to as nonlocally stabilized reverse diffusion filter. Unlike reverse diffusion filter, which is highly unstable and blows up noise, nonlocal stabilization enhances intensity projected parallel images uniformly. Application to multichannel vessel enhancement is illustrated using both volunteer data and simulated multichannel angiograms. Robustness of the filter applied to volunteer datasets is shown using statistically validated improvement in flow quantification. Improved performance in terms of preserving vascular structures and phased array reconstruction in both simulated and real data is demonstrated using structureness measure and contrast ratio. PMID:26835501

Kinetic Monte Carlo Simulation of Oxygen and Cation Diffusion in Yttria-Stabilized Zirconia

NASA Technical Reports Server (NTRS)

Good, Brian

2011-01-01

Yttria-stabilized zirconia (YSZ) is of interest to the aerospace community, notably for its application as a thermal barrier coating for turbine engine components. In such an application, diffusion of both oxygen ions and cations is of concern. Oxygen diffusion can lead to deterioration of a coated part, and often necessitates an environmental barrier coating. Cation diffusion in YSZ is much slower than oxygen diffusion. However, such diffusion is a mechanism by which creep takes place, potentially affecting the mechanical integrity and phase stability of the coating. In other applications, the high oxygen diffusivity of YSZ is useful, and makes the material of interest for use as a solid-state electrolyte in fuel cells. The kinetic Monte Carlo (kMC) method offers a number of advantages compared with the more widely known molecular dynamics simulation method. In particular, kMC is much more efficient for the study of processes, such as diffusion, that involve infrequent events. We describe the results of kinetic Monte Carlo computer simulations of oxygen and cation diffusion in YSZ. Using diffusive energy barriers from ab initio calculations and from the literature, we present results on the temperature dependence of oxygen and cation diffusivity, and on the dependence of the diffusivities on yttria concentration and oxygen sublattice vacancy concentration. We also present results of the effect on diffusivity of oxygen vacancies in the vicinity of the barrier cations that determine the oxygen diffusion energy barriers.

Lipid composition dictates serum stability of reconstituted high-density lipoproteins: implications for in vivo applications.

PubMed

Gilmore, Sean F; Carpenter, Timothy S; Ingólfsson, Helgi I; Peters, Sandra K G; Henderson, Paul T; Blanchette, Craig D; Fischer, Nicholas O

2018-04-26

Nanolipoprotein particles (NLPs) are reconstituted high-density lipoproteins, consisting of a phospholipid bilayer stabilized by an apolipoprotein scaffold protein. This class of nanoparticle has been a vital tool in the study of membrane proteins, and in recent years has been increasingly used for in vivo applications. Previous work demonstrated that the composition of the lipid bilayer component affects the stability of these particles in serum solutions. In the current study, NLPs assembled with phosphatidylcholine lipids featuring different acyl chain structures were systematically tested to understand the effect that lipid composition has on NLP stability in both neat serum and cell culture media supplemented with 10% serum by volume. The time at which 50% of the particles dissociate, as well as the fraction of the initial population that remains resistant to dissociation, were correlated to key parameters obtained from all-atom simulations of the corresponding lipid bilayers. A significant correlation was observed between the compressibility modulus of the lipid bilayer and particle stability in these complex biological milieu. These results can be used as a reference to tune the stability of these versatile biological nanoparticles for in vitro and in vivo applications.

Predicting fruit fly's sensing rate with insect flight simulations.

PubMed

Chang, Song; Wang, Z Jane

2014-08-05

Without sensory feedback, flies cannot fly. Exactly how various feedback controls work in insects is a complex puzzle to solve. What do insects measure to stabilize their flight? How often and how fast must insects adjust their wings to remain stable? To gain insights into algorithms used by insects to control their dynamic instability, we develop a simulation tool to study free flight. To stabilize flight, we construct a control algorithm that modulates wing motion based on discrete measurements of the body-pitch orientation. Our simulations give theoretical bounds on both the sensing rate and the delay time between sensing and actuation. Interpreting our findings together with experimental results on fruit flies' reaction time and sensory motor reflexes, we conjecture that fruit flies sense their kinematic states every wing beat to stabilize their flight. We further propose a candidate for such a control involving the fly's haltere and first basalar motor neuron. Although we focus on fruit flies as a case study, the framework for our simulation and discrete control algorithms is applicable to studies of both natural and man-made fliers.

Risk analysis of gravity dam instability using credibility theory Monte Carlo simulation model.

PubMed

Xin, Cao; Chongshi, Gu

2016-01-01

Risk analysis of gravity dam stability involves complicated uncertainty in many design parameters and measured data. Stability failure risk ratio described jointly by probability and possibility has deficiency in characterization of influence of fuzzy factors and representation of the likelihood of risk occurrence in practical engineering. In this article, credibility theory is applied into stability failure risk analysis of gravity dam. Stability of gravity dam is viewed as a hybrid event considering both fuzziness and randomness of failure criterion, design parameters and measured data. Credibility distribution function is conducted as a novel way to represent uncertainty of influence factors of gravity dam stability. And combining with Monte Carlo simulation, corresponding calculation method and procedure are proposed. Based on a dam section, a detailed application of the modeling approach on risk calculation of both dam foundation and double sliding surfaces is provided. The results show that, the present method is feasible to be applied on analysis of stability failure risk for gravity dams. The risk assessment obtained can reflect influence of both sorts of uncertainty, and is suitable as an index value.

Nonlinear neural control with power systems applications

NASA Astrophysics Data System (ADS)

Chen, Dingguo

1998-12-01

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

Application of Computational Stability and Control Techniques Including Unsteady Aerodynamics and Aeroelastic Effects

NASA Technical Reports Server (NTRS)

Schuster, David M.; Edwards, John W.

2004-01-01

The motivation behind the inclusion of unsteady aerodynamics and aeroelastic effects in the computation of stability and control (S&C) derivatives will be discussed as they pertain to aeroelastic and aeroservoelastic analysis. This topic will be addressed in the context of two applications, the first being the estimation of S&C derivatives for a cable-mounted aeroservoelastic wind tunnel model tested in the NASA Langley Research Center (LaRC) Transonic Dynamics Tunnel (TDT). The second application will be the prediction of the nonlinear aeroservoelastic phenomenon known as Residual Pitch Oscillation (RPO) on the B-2 Bomber. Techniques and strategies used in these applications to compute S&C derivatives and perform flight simulations will be reviewed, and computational results will be presented.

Advances in simulation of wave interactions with extended MHD phenomena

NASA Astrophysics Data System (ADS)

Batchelor, D.; Abla, G.; D'Azevedo, E.; Bateman, G.; Bernholdt, D. E.; Berry, L.; Bonoli, P.; Bramley, R.; Breslau, J.; Chance, M.; Chen, J.; Choi, M.; Elwasif, W.; Foley, S.; Fu, G.; Harvey, R.; Jaeger, E.; Jardin, S.; Jenkins, T.; Keyes, D.; Klasky, S.; Kruger, S.; Ku, L.; Lynch, V.; McCune, D.; Ramos, J.; Schissel, D.; Schnack, D.; Wright, J.

2009-07-01

The Integrated Plasma Simulator (IPS) provides a framework within which some of the most advanced, massively-parallel fusion modeling codes can be interoperated to provide a detailed picture of the multi-physics processes involved in fusion experiments. The presentation will cover four topics: 1) recent improvements to the IPS, 2) application of the IPS for very high resolution simulations of ITER scenarios, 3) studies of resistive and ideal MHD stability in tokamk discharges using IPS facilities, and 4) the application of RF power in the electron cyclotron range of frequencies to control slowly growing MHD modes in tokamaks and initial evaluations of optimized location for RF power deposition.

Inclusion of methoxy groups inverts the thermodynamic stabilities of DNA-RNA hybrid duplexes: A molecular dynamics simulation study.

PubMed

Suresh, Gorle; Priyakumar, U Deva

2015-09-01

Modified nucleic acids have found profound applications in nucleic acid based technologies such as antisense and antiviral therapies. Previous studies on chemically modified nucleic acids have suggested that modifications incorporated in furanose sugar especially at 2'-position attribute special properties to nucleic acids when compared to other modifications. 2'-O-methyl modification to deoxyribose sugars of DNA-RNA hybrids is one such modification that increases nucleic acid stability and has become an attractive class of compounds for potential antisense applications. It has been reported that modification of DNA strands with 2'-O-methyl group reverses the thermodynamic stability of DNA-RNA hybrid duplexes. Molecular dynamics simulations have been performed on two hybrid duplexes (DR and RD) which differ from each other and 2'-O-methyl modified counterparts to investigate the effect of 2'-O-methyl modification on their duplex stability. The results obtained suggest that the modification drives the conformations of both the hybrid duplexes towards A-RNA like conformation. The modified hybrid duplexes exhibit significantly contrasting dynamics and hydration patterns compared to respective parent duplexes. In line with the experimental results, the relative binding free energies suggest that the introduced modifications stabilize the less stable DR hybrid, but destabilize the more stable RD duplex. Binding free energy calculations suggest that the increased hydrophobicity is primarily responsible for the reversal of thermodynamic stability of hybrid duplexes. Free energy component analysis further provides insights into the stability of modified duplexes. Copyright © 2015 Elsevier Inc. All rights reserved.

Stability of the Baseline Holder in Readout Circuits For Radiation Detectors

PubMed Central

Chen, Y.; Cui, Y.; O’Connor, P.; Seo, Y.; Camarda, G. S.; Hossain, A.; Roy, U.; Yang, G.; James, R. B.

2016-01-01

Baseline holder (BLH) circuits are used widely to stabilize the analog output of application-specific integrated circuits (ASICs) for high-count-rate applications. The careful design of BLH circuits is vital to the overall stability of the analog-signal-processing chain in ASICs. Recently, we observed self-triggered fluctuations in an ASIC in which the shaping circuits have a BLH circuit in the feedback loop. In fact, further investigations showed that methods of enhancing small-signal stabilities cause an even worse situation. To resolve this problem, we used large-signal analyses to study the circuit’s stability. We found that a relatively small gain for the error amplifier and a small current in the non-linear stage of the BLH are required to enhance stability in large-signal analysis, which will compromise the properties of the BLH. These findings were verified by SPICE simulations. In this paper, we present our detailed analysis of the BLH circuits, and propose an improved version of them that have only minimal self-triggered fluctuations. We summarize the design considerations both for the stability and the properties of the BLH circuits. PMID:27182081

Robust Stability of Scaled-Four-Channel Teleoperation with Internet Time-Varying Delays

PubMed Central

Delgado, Emma; Barreiro, Antonio; Falcón, Pablo; Díaz-Cacho, Miguel

2016-01-01

We describe the application of a generic stability framework for a teleoperation system under time-varying delay conditions, as addressed in a previous work, to a scaled-four-channel (γ-4C) control scheme. Described is how varying delays are dealt with by means of dynamic encapsulation, giving rise to mu-test conditions for robust stability and offering an appealing frequency technique to deal with the stability robustness of the architecture. We discuss ideal transparency problems and we adapt classical solutions so that controllers are proper, without single or double differentiators, and thus avoid the negative effects of noise. The control scheme was fine-tuned and tested for complete stability to zero of the whole state, while seeking a practical solution to the trade-off between stability and transparency in the Internet-based teleoperation. These ideas were tested on an Internet-based application with two Omni devices at remote laboratory locations via simulations and real remote experiments that achieved robust stability, while performing well in terms of position synchronization and force transparency. PMID:27128914

A Technique for Measuring Rotocraft Dynamic Stability in the 40 by 80 Foot Wind Tunnel

NASA Technical Reports Server (NTRS)

Gupta, N. K.; Bohn, J. G.

1977-01-01

An on-line technique is described for the measurement of tilt rotor aircraft dynamic stability in the Ames 40- by 80-Foot Wind Tunnel. The technique is based on advanced system identification methodology and uses the instrumental variables approach. It is particulary applicable to real time estimation problems with limited amounts of noise-contaminated data. Several simulations are used to evaluate the algorithm. Estimated natural frequencies and damping ratios are compared with simulation values. The algorithm is also applied to wind tunnel data in an off-line mode. The results are used to develop preliminary guidelines for effective use of the algorithm.

Application of long-term simulation programs for analysis of system islanding

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

Sancha, J.L.; Llorens, M.L.; Moreno, J.M.

1997-02-01

This paper describes the main results and conclusions from the application of two different long-term stability programs to the analysis of a system islanding scenario for a study case developed by Red Electrica de Espana (REE), based on the Spanish system. Two main goals were to evaluate the performance of both the influence of some important control and protection elements (tie-line loss-of-synchronism relays, underfrequency load-shedding, load-frequency control, and power plant dynamics). Conclusions about modeling and computational requirements for system islanding (frequency) scenarios and use of long-term stability programs are presented.

Development of Nanoparticle-Stabilized Foams to Improve Performance of Water-less Hydraulic Fracturing

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

Prodanovic, Masa; Johnston, Keith P.

We have successfully created ultra dry carbon-dioxide-in-water and nitrogen-in-water foams (with water content down to 2-5% range), that are remarkably stable at high temperatures (up to 120 deg, C) and pressures (up to 3000psi) and viscous enough (100-200 cP tunable range) to carry proppant. Two generations of these ultra-dry foams have been developed; they are stabilized either with a synergy of surfactants and nanoparticle, or just with viscoelastic surfactants that viscosify the aqueous phase. Not only does this reduce water utilization and disposal, but it minimizes fluid blocking of hydrocarbon production. Further, the most recent development shows successful use ofmore » environmentally friendly surfactants at high temperature and pressure. We pay special attention to the role of nanoparticles in stabilization of the foams, specifically for high salinity brines. The preliminary numerical simulation for which shows they open wider fractures with shorter half-length and require less clean-up due to minimal water use. We also tested the stability and sand carrying properties of these foams at high pressure, room temperature conditions in sapphire cell. We performed on a preliminary numerical investigation of applicability for improved oil recovery applications. The applicability was evaluated by running multiphase flow injection simulations in a case-study oil reservoir. The results of this research thus expand the options available to operators for hydraulic fracturing and can simplify the design and field implementation of foamed fracturing fluids.« less

Conformation and dynamics of the ligand shell of a water-soluble Au102 nanoparticle.

PubMed

Salorinne, Kirsi; Malola, Sami; Wong, O Andrea; Rithner, Christopher D; Chen, Xi; Ackerson, Christopher J; Häkkinen, Hannu

2016-01-21

Inorganic nanoparticles, stabilized by a passivating layer of organic molecules, form a versatile class of nanostructured materials with potential applications in material chemistry, nanoscale physics, nanomedicine and structural biology. While the structure of the nanoparticle core is often known to atomic precision, gaining precise structural and dynamical information on the organic layer poses a major challenge. Here we report a full assignment of (1)H and (13)C NMR shifts to all ligands of a water-soluble, atomically precise, 102-atom gold nanoparticle stabilized by 44 para-mercaptobenzoic acid ligands in solution, by using a combination of multidimensional NMR methods, density functional theory calculations and molecular dynamics simulations. Molecular dynamics simulations augment the data by giving information about the ligand disorder and visualization of possible distinct ligand conformations of the most dynamic ligands. The method demonstrated here opens a way to controllable strategies for functionalization of ligated nanoparticles for applications.

Conformation and dynamics of the ligand shell of a water-soluble Au102 nanoparticle

PubMed Central

Salorinne, Kirsi; Malola, Sami; Wong, O. Andrea; Rithner, Christopher D.; Chen, Xi; Ackerson, Christopher J.; Häkkinen, Hannu

2016-01-01

Inorganic nanoparticles, stabilized by a passivating layer of organic molecules, form a versatile class of nanostructured materials with potential applications in material chemistry, nanoscale physics, nanomedicine and structural biology. While the structure of the nanoparticle core is often known to atomic precision, gaining precise structural and dynamical information on the organic layer poses a major challenge. Here we report a full assignment of 1H and 13C NMR shifts to all ligands of a water-soluble, atomically precise, 102-atom gold nanoparticle stabilized by 44 para-mercaptobenzoic acid ligands in solution, by using a combination of multidimensional NMR methods, density functional theory calculations and molecular dynamics simulations. Molecular dynamics simulations augment the data by giving information about the ligand disorder and visualization of possible distinct ligand conformations of the most dynamic ligands. The method demonstrated here opens a way to controllable strategies for functionalization of ligated nanoparticles for applications. PMID:26791253

Effect of alkyl branches on the thermal stability of quaternary ammonium cations in organic electrolytes for electrochemical double layer capacitors.

PubMed

Ahn, Yong Nam; Lee, Sung Hoon; Lee, Goo Soo; Kim, Hyunbin

2017-08-02

Quaternary ammoniums are cations having widespread use in organic electrolytes for high performance electrochemical double layer capacitors (EDLCs) due to their various advantages such as high electrochemical stability and inexpensive production cost. However, the decomposition of quaternary ammoniums via Hofmann elimination hinders their applications for EDLCs operating at elevated temperatures. This study systematically investigates the reactivity of four different quaternary ammoniums (tetraethyl-, triethylmethyl-, diethyldimethyl-, and trimethylethyl-ammonium) in EDLC by utilizing density functional theory calculations and Brownian dynamics simulations complemented with molecular dynamics simulations. It is found that ammonium stability reduces upon increasing the number of ethyl branches that have a stronger positive charge than the methyl groups. However, the contribution of the entropy change to the reaction free energy makes trimethylethylammonium less stable than diethyldimethylammonium at room temperature although the former has less ethyl branches than the latter. Trimethylethylammonium becomes the most stable at a high temperature of 488 K above which the activation free energy becomes effectively negligible and thus the number of reactive sites determines the overall stability. The fundamental understanding of the ammonium decompositions through Hofmann elimination demonstrated in this study is expected to contribute to developing new long-life organic electrolyte systems for high-temperature applications.

DFT investigations on mechanical stability, electronic structure and magnetism in Co2TaZ (Z = Al, Ga, In) heusler alloys

NASA Astrophysics Data System (ADS)

Khandy, Shakeel Ahmad; Gupta, Dinesh C.

2017-12-01

Ferromagnetic Heusler compounds have vast and imminent applications for novel devices, smart materials thanks to density functional theory (DFT) based simulations, which have scored out a new approach to study these materials. We forecast the structural stability of Co2TaZ alloys on the basis of total energy calculations and mechanical stability criteria. The elastic constants, robust spin-polarized ferromagnetism and electron densities in these half-metallic alloys are also discussed. The observed structural aspects calculated to predict the stability and equilibrium lattice parameters agree well with the experimental results. The elastic parameters like elastic constants, bulk, Young’s and shear moduli, poison’s and Pugh ratios, melting temperatures, etc have been put together to establish their mechanical properties. The elaborated electronic band structures along with indirect band gaps and spin polarization favour the application of these materials in spintronics and memory device technology.

Analysis of the Effects of Streamwise Lift Distribution on Sonic Boom Signature

NASA Technical Reports Server (NTRS)

Yoo, Paul

2013-01-01

Investigation of sonic boom has been one of the major areas of study in aeronautics due to the benefits a low-boom aircraft has in both civilian and military applications. This work conducts a numerical analysis of the effects of streamwise lift distribution on the shock coalescence characteristics. A simple wing-canard-stabilator body model is used in the numerical simulation. The streamwise lift distribution is varied by fixing the canard at a deflection angle while trimming the aircraft with the wing and the stabilator at the desired lift coefficient. The lift and the pitching moment coefficients are computed using the Missile DATCOM v. 707. The flow field around the wing-canard- stabilator body model is resolved using the OVERFLOW-2 flow solver. Overset/ chimera grid topology is used to simplify the grid generation of various configurations representing different streamwise lift distributions. The numerical simulations are performed without viscosity unless it is required for numerical stability. All configurations are simulated at Mach 1.4, angle-of-attack of 1.50, lift coefficient of 0.05, and pitching moment coefficient of approximately 0. Four streamwise lift distribution configurations were tested.

Comparative Implementation of High Performance Computing for Power System Dynamic Simulations

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

Jin, Shuangshuang; Huang, Zhenyu; Diao, Ruisheng

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

A locally conservative stabilized continuous Galerkin finite element method for two-phase flow in poroelastic subsurfaces

NASA Astrophysics Data System (ADS)

Deng, Q.; Ginting, V.; McCaskill, B.; Torsu, P.

2017-10-01

We study the application of a stabilized continuous Galerkin finite element method (CGFEM) in the simulation of multiphase flow in poroelastic subsurfaces. The system involves a nonlinear coupling between the fluid pressure, subsurface's deformation, and the fluid phase saturation, and as such, we represent this coupling through an iterative procedure. Spatial discretization of the poroelastic system employs the standard linear finite element in combination with a numerical diffusion term to maintain stability of the algebraic system. Furthermore, direct calculation of the normal velocities from pressure and deformation does not entail a locally conservative field. To alleviate this drawback, we propose an element based post-processing technique through which local conservation can be established. The performance of the method is validated through several examples illustrating the convergence of the method, the effectivity of the stabilization term, and the ability to achieve locally conservative normal velocities. Finally, the efficacy of the method is demonstrated through simulations of realistic multiphase flow in poroelastic subsurfaces.

Reasoning about energy in qualitative simulation

NASA Technical Reports Server (NTRS)

Fouche, Pierre; Kuipers, Benjamin J.

1992-01-01

While possible behaviors of a mechanism that are consistent with an incomplete state of knowledge can be predicted through qualitative modeling and simulation, spurious behaviors corresponding to no solution of any ordinary differential equation consistent with the model may be generated. The present method for energy-related reasoning eliminates an important source of spurious behaviors, as demonstrated by its application to a nonlinear, proportional-integral controlled. It is shown that such qualitative properties of such a system as stability and zero-offset control are captured by the simulation.

Stability analysis for a multi-camera photogrammetric system.

PubMed

Habib, Ayman; Detchev, Ivan; Kwak, Eunju

2014-08-18

Consumer-grade digital cameras suffer from geometrical instability that may cause problems when used in photogrammetric applications. This paper provides a comprehensive review of this issue of interior orientation parameter variation over time, it explains the common ways used for coping with the issue, and describes the existing methods for performing stability analysis for a single camera. The paper then points out the lack of coverage of stability analysis for multi-camera systems, suggests a modification of the collinearity model to be used for the calibration of an entire photogrammetric system, and proposes three methods for system stability analysis. The proposed methods explore the impact of the changes in interior orientation and relative orientation/mounting parameters on the reconstruction process. Rather than relying on ground truth in real datasets to check the system calibration stability, the proposed methods are simulation-based. Experiment results are shown, where a multi-camera photogrammetric system was calibrated three times, and stability analysis was performed on the system calibration parameters from the three sessions. The proposed simulation-based methods provided results that were compatible with a real-data based approach for evaluating the impact of changes in the system calibration parameters on the three-dimensional reconstruction.

Stability Analysis for a Multi-Camera Photogrammetric System

PubMed Central

Habib, Ayman; Detchev, Ivan; Kwak, Eunju

2014-01-01

Consumer-grade digital cameras suffer from geometrical instability that may cause problems when used in photogrammetric applications. This paper provides a comprehensive review of this issue of interior orientation parameter variation over time, it explains the common ways used for coping with the issue, and describes the existing methods for performing stability analysis for a single camera. The paper then points out the lack of coverage of stability analysis for multi-camera systems, suggests a modification of the collinearity model to be used for the calibration of an entire photogrammetric system, and proposes three methods for system stability analysis. The proposed methods explore the impact of the changes in interior orientation and relative orientation/mounting parameters on the reconstruction process. Rather than relying on ground truth in real datasets to check the system calibration stability, the proposed methods are simulation-based. Experiment results are shown, where a multi-camera photogrammetric system was calibrated three times, and stability analysis was performed on the system calibration parameters from the three sessions. The proposed simulation-based methods provided results that were compatible with a real-data based approach for evaluating the impact of changes in the system calibration parameters on the three-dimensional reconstruction. PMID:25196012

Polymer stabilized liquid crystals: Topology-mediated electro-optical behavior and applications

NASA Astrophysics Data System (ADS)

Weng, Libo

There has been a wide range of liquid crystal polymer composites that vary in polymer concentration from as little as 3 wt.% (polymer stabilized liquid crystal) to as high as 60 wt.% (polymer dispersed liquid crystals). In this dissertation, an approach of surface polymerization based on a low reactive monomer concentration about 1 wt.% is studied in various liquid crystal operation modes. The first part of dissertation describes the development of a vertical alignment (VA) mode with surface polymer stabilization, and the effects of structure-performance relationship of reactive monomers (RMs) and polymerization conditions on the electro-optical behaviors of the liquid crystal device has been explored. The polymer topography plays an important role in modifying and enhancing the electro-optical performance of stabilized liquid crystal alignment. The enabling surface-pinned polymer stabilized vertical alignment (PSVA) approach has led to the development of high-performance and fast-switching displays with controllable pretilt angle, increase in surface anchoring energy, high optical contrast and fast response time. The second part of the dissertation explores a PSVA mode with in-plane switching (IPS) and its application for high-efficiency and fast-switching phase gratings. The diffraction patterns and the electro-optical behaviors including diffraction efficiency and response time are characterized. The diffraction grating mechanism and performance have been validated by computer simulation. Finally, the advantages of surface polymerization approach such as good optical contrast and fast response time have been applied to the fringe-field switching (FFS) system. The concentration of reactive monomer on the electro-optical behavior of the FFS cells is optimized. The outstanding electro-optical results and mechanism of increase in surface anchoring strength are corroborated by the director field simulation. The density and topology of nanoscale polymer protrusions are analyzed and confirmed by morphological study. The developed high-performance polymer-stabilized fringe-field-switching (PS-FFS) could open new types of device applications.

A spectrally accurate boundary-layer code for infinite swept wings

NASA Technical Reports Server (NTRS)

Pruett, C. David

1994-01-01

This report documents the development, validation, and application of a spectrally accurate boundary-layer code, WINGBL2, which has been designed specifically for use in stability analyses of swept-wing configurations. Currently, we consider only the quasi-three-dimensional case of an infinitely long wing of constant cross section. The effects of streamwise curvature, streamwise pressure gradient, and wall suction and/or blowing are taken into account in the governing equations and boundary conditions. The boundary-layer equations are formulated both for the attachment-line flow and for the evolving boundary layer. The boundary-layer equations are solved by marching in the direction perpendicular to the leading edge, for which high-order (up to fifth) backward differencing techniques are used. In the wall-normal direction, a spectral collocation method, based upon Chebyshev polynomial approximations, is exploited. The accuracy, efficiency, and user-friendliness of WINGBL2 make it well suited for applications to linear stability theory, parabolized stability equation methodology, direct numerical simulation, and large-eddy simulation. The method is validated against existing schemes for three test cases, including incompressible swept Hiemenz flow and Mach 2.4 flow over an airfoil swept at 70 deg to the free stream.

Design of stabilized platforms for deep space optical communications (DSOC)

NASA Astrophysics Data System (ADS)

Jacka, N.; Walter, R.; Laughlin, D.; McNally, J.

2017-02-01

Numerous Deep Space Optical Communications (DSOC) demonstrations are planned by NASA to provide the basis for future implementation of optical communications links in planetary science missions and eventually manned missions to Mars. There is a need for a simple, robust precision optical stabilization concept for long-range free space optical communications applications suitable for optical apertures and masses larger than the current state of the art. We developed a stabilization concept by exploiting the ultra-low noise and wide bandwidth of ATA-proprietary Magnetohydrodynamic (MHD) angular rate sensors and building on prior practices of flexure-based isolation. We detail a stabilization approach tailored for deep space optical communications, and present an innovative prototype design and test results. Our prototype system provides sub-micro radian stabilization for a deep space optical link such as NASA's integrated Radio frequency and Optical Communications (iROC) and NASA's DSOC programs. Initial test results and simulations suggest that >40 dB broadband jitter rejection is possible without placing unrealistic expectations on the control loop bandwidth and flexure isolation frequency. This approach offers a simple, robust method for platform stabilization without requiring a gravity offload apparatus for ground testing or launch locks to survive a typical launch environment. This paper reviews alternative stabilization concepts, their advantages and disadvantages, as well as, their applicability to various optical communications applications. We present results from testing that subjected the prototype system to realistic spacecraft base motion and confirmed predicted sub-micro radian stabilization performance with a realistic 20-cm aperture.

Stability analysis using SDSA tool

NASA Astrophysics Data System (ADS)

Goetzendorf-Grabowski, Tomasz; Mieszalski, Dawid; Marcinkiewicz, Ewa

2011-11-01

The SDSA (Simulation and Dynamic Stability Analysis) application is presented as a tool for analysing the dynamic characteristics of the aircraft just in the conceptual design stage. SDSA is part of the CEASIOM (Computerized Environment for Aircraft Synthesis and Integrated Optimization Methods) software environment which was developed within the SimSAC (Simulating Aircraft Stability And Control Characteristics for Use in Conceptual Design) project, funded by the European Commission 6th Framework Program. SDSA can also be used as stand alone software, and integrated with other design and optimisation systems using software wrappers. This paper focuses on the main functionalities of SDSA and presents both computational and free flight experimental results to compare and validate the presented software. Two aircraft are considered, the EADS Ranger 2000 and the Warsaw University designed PW-6 glider. For the two cases considered here the SDSA software is shown to be an excellent tool for predicting dynamic characteristics of an aircraft.

Analysis of the morphology, stability, and folding pathways of ring polymers with supramolecular topological constraints using molecular simulation and nonlinear manifold learning

NASA Astrophysics Data System (ADS)

Wang, Jiang; Ferguson, Andrew

Ring polymers offer a wide range of natural and engineered functions and applications, including as circular bacterial DNA, crown ethers for cation chelation, and ``molecular machines'' such as mechanical nanoswitches. The morphology and dynamics of ring polymers are governed by the chemistry and degree of polymerization of the ring, and intramolecular and supramolecular topological constraints such as knots or mechanically-interlocked rings. We perform molecular dynamics simulations of polyethylene ring polymers as a function of degree of polymerization and in different topological states, including a knotted state, catenane state (two interlocked rings), and borromean state (three interlocked rings). Applying nonlinear manifold learning to our all-atom simulation trajectories, we extract low-dimensional free energy surfaces governing the accessible conformational states and their relative thermodynamic stability. The free energy surfaces reveal how degree of polymerization and topological constraints affect the thermally accessible conformations, chiral symmetry breaking, and folding and collapse pathways of the rings, and present a means to rationally engineer ring size and topology to preferentially stabilize particular conformational states.

Contact angle adjustment in equation-of-state-based pseudopotential model.

PubMed

Hu, Anjie; Li, Longjian; Uddin, Rizwan; Liu, Dong

2016-05-01

The single component pseudopotential lattice Boltzmann model has been widely applied in multiphase simulation due to its simplicity and stability. In many studies, it has been claimed that this model can be stable for density ratios larger than 1000. However, the application of the model is still limited to small density ratios when the contact angle is considered. The reason is that the original contact angle adjustment method influences the stability of the model. Moreover, simulation results in the present work show that, by applying the original contact angle adjustment method, the density distribution near the wall is artificially changed, and the contact angle is dependent on the surface tension. Hence, it is very inconvenient to apply this method with a fixed contact angle, and the accuracy of the model cannot be guaranteed. To solve these problems, a contact angle adjustment method based on the geometry analysis is proposed and numerically compared with the original method. Simulation results show that, with our contact angle adjustment method, the stability of the model is highly improved when the density ratio is relatively large, and it is independent of the surface tension.

Contact angle adjustment in equation-of-state-based pseudopotential model

NASA Astrophysics Data System (ADS)

Hu, Anjie; Li, Longjian; Uddin, Rizwan; Liu, Dong

2016-05-01

The single component pseudopotential lattice Boltzmann model has been widely applied in multiphase simulation due to its simplicity and stability. In many studies, it has been claimed that this model can be stable for density ratios larger than 1000. However, the application of the model is still limited to small density ratios when the contact angle is considered. The reason is that the original contact angle adjustment method influences the stability of the model. Moreover, simulation results in the present work show that, by applying the original contact angle adjustment method, the density distribution near the wall is artificially changed, and the contact angle is dependent on the surface tension. Hence, it is very inconvenient to apply this method with a fixed contact angle, and the accuracy of the model cannot be guaranteed. To solve these problems, a contact angle adjustment method based on the geometry analysis is proposed and numerically compared with the original method. Simulation results show that, with our contact angle adjustment method, the stability of the model is highly improved when the density ratio is relatively large, and it is independent of the surface tension.

Handling qualities of a wide-body transport airplane utilizing Pitch Active Control Systems (PACS) for relaxed static stability application

NASA Technical Reports Server (NTRS)

Grantham, William D.; Person, Lee H., Jr.; Brown, Philip W.; Becker, Lawrence E.; Hunt, George E.; Rising, J. J.; Davis, W. J.; Willey, C. S.; Weaver, W. A.; Cokeley, R.

1985-01-01

Piloted simulation studies have been conducted to evaluate the effectiveness of two pitch active control systems (PACS) on the flying qualities of a wide-body transport airplane when operating at negative static margins. These two pitch active control systems consisted of a simple 'near-term' PACS and a more complex 'advanced' PACS. Eight different flight conditions, representing the entire flight envelope, were evaluated with emphasis on the cruise flight conditions. These studies were made utilizing the Langley Visual/Motion Simulator (VMS) which has six degrees of freedom. The simulation tests indicated that (1) the flying qualities of the baseline aircraft (PACS off) for the cruise and other high-speed flight conditions were unacceptable at center-of-gravity positions aft of the neutral static stability point; (2) within the linear static stability flight envelope, the near-term PACS provided acceptable flying qualities for static stabilty margins to -3 percent; and (3) with the advanced PACS operative, the flying qualities were demonstrated to be good (satisfactory to very acceptable) for static stabilty margins to -20 percent.

On the origin of the halo stabilization.

PubMed

Trulsson, Martin; Jönsson, Bo; Labbez, Christophe

2013-01-14

Monte Carlo simulations show that charge-regulation alone can cause highly charged zirconium nanoparticles to adsorb to a similarly charged or neutral silica particle and thereby stabilizing the latter. This mechanism, referred to as halo stabilization, is quite general and applicable in a range of systems provided that pH, van der Waals forces, and dissociation constants of the charge-regulating particles are properly chosen. In our modeling we see an overall attraction at low volume fractions of nanoparticles, while at higher a repulsive barrier is created, stabilizing the microparticles and protecting them from aggregation. The charge-regulation mechanism also turns the silica surface from positively charged, without nanoparticles, to negatively charged in the presence of nanoparticles.

Boundedness and global robust stability analysis of delayed complex-valued neural networks with interval parameter uncertainties.

PubMed

Song, Qiankun; Yu, Qinqin; Zhao, Zhenjiang; Liu, Yurong; Alsaadi, Fuad E

2018-07-01

In this paper, the boundedness and robust stability for a class of delayed complex-valued neural networks with interval parameter uncertainties are investigated. By using Homomorphic mapping theorem, Lyapunov method and inequality techniques, sufficient condition to guarantee the boundedness of networks and the existence, uniqueness and global robust stability of equilibrium point is derived for the considered uncertain neural networks. The obtained robust stability criterion is expressed in complex-valued LMI, which can be calculated numerically using YALMIP with solver of SDPT3 in MATLAB. An example with simulations is supplied to show the applicability and advantages of the acquired result. Copyright © 2018 Elsevier Ltd. All rights reserved.

Notre Dame Geothermal Ionic Liquids Research: Ionic Liquids for Utilization of Geothermal Energy

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

Brennecke, Joan F.

The goal of this project was to develop ionic liquids for two geothermal energy related applications. The first goal was to design ionic liquids as high temperature heat transfer fluids. We identified appropriate compounds based on both experiments and molecular simulations. We synthesized the new ILs, and measured their thermal stability, measured storage density, viscosity, and thermal conductivity. We found that the most promising compounds for this application are aminopyridinium bis(trifluoromethylsulfonyl)imide based ILs. We also performed some measurements of thermal stability of IL mixtures and used molecular simulations to better understand the thermal conductivity of nanofluids (i.e., mixtures of ILsmore » and nanoparticles). We found that the mixtures do not follow ideal mixture theories and that the addition of nanoparticles to ILs may well have a beneficial influence on the thermal and transport properties of IL-based heat transfer fluids. The second goal was to use ionic liquids in geothermally driven absorption refrigeration systems. We performed copious thermodynamic measurements and modeling of ionic liquid/water systems, including modeling of the absorption refrigeration systems and the resulting coefficients of performance. We explored some IL/organic solvent mixtures as candidates for this application, both with experimentation and molecular simulations. We found that the COPs of all of the IL/water systems were higher than the conventional system – LiBr/H2O. Thus, IL/water systems appear very attractive for absorption refrigeration applications.« less

Design of pseudorandom binary sequence generator using lithium-niobate-based Mach-Zehnder interferometers

NASA Astrophysics Data System (ADS)

Choudhary, Kuldeep; Kumar, Santosh

2017-05-01

The application of electro-optic effect in lithium-niobate-based Mach-Zehnder interferometer to design a 3-bit optical pseudorandom binary sequence (PRBS) generator has been proposed, which is characterized by its simplicity of generation and stability. The proposed device is optoelectronic in nature. The PBRS generator is immensely applicable for pattern generation, encryption, and coding applications in optical networks. The study is carried out by simulating the proposed device with beam propagation method.

A mathematical model for Vertical Attitude Takeoff and Landing (VATOL) aircraft simulation. Volume 3: User's manual for VATOL simulation program

NASA Technical Reports Server (NTRS)

Fortenbaugh, R. L.

1980-01-01

Instructions for using Vertical Attitude Takeoff and Landing Aircraft Simulation (VATLAS), the digital simulation program for application to vertical attitude takeoff and landing (VATOL) aircraft developed for installation on the NASA Ames CDC 7600 computer system are described. The framework for VATLAS is the Off-Line Simulation (OLSIM) routine. The OLSIM routine provides a flexible framework and standardized modules which facilitate the development of off-line aircraft simulations. OLSIM runs under the control of VTOLTH, the main program, which calls the proper modules for executing user specified options. These options include trim, stability derivative calculation, time history generation, and various input-output options.

Stochastic stability assessment of a semi-free piston engine generator concept

NASA Astrophysics Data System (ADS)

Kigezi, T. N.; Gonzalez Anaya, J. A.; Dunne, J. F.

2016-09-01

Small engines, as power generators with low-noise and vibration characteristics, are needed in two niche application areas: as electric vehicle range extenders and as domestic micro Combined Heat and Power systems. A recent semi-free piston design known as the AMOCATIC generator fully meets this requirement. The engine potentially allows for high energy conversion efficiencies at resonance derived from having a mass and spring assembly. As with free-piston engines in general, stability and control of piston motion has been cited as the prime challenge limiting the technology's widespread application. Using physical principles, we derive in this paper two important results: an energy balance criterion and a related general stability criterion for a semi-free piston engine. Control is achieved by systematically designing a Proportional Integral (PI) controller using a control-oriented engine model for which a specific stability condition is stated. All results are presented in closed form throughout the paper. Simulation results under stochastic pressure conditions show that the proposed energy balance, stability criterion, and PI controller, operate as predicted to yield stable engine operation at fixed compression ratio.

Incorporating Phage Therapy into WPI Dip Coatings for Applications on Fresh Whole and Cut Fruit and Vegetable Surfaces.

PubMed

Vonasek, Erica L; Choi, Angela H; Sanchez, Juan; Nitin, Nitin

2018-06-15

There is a significant unmet need to develop antimicrobial solutions to reduce the risk of contamination in fresh produce. Bacteriophages have been proposed as a potential approach for controlling foodborne pathogens. This study evaluated the combination of edible dip coatings with T7 bacteriophages on whole and cut produce. The evaluation includes an assessment of phage loading, phage storage stability, antimicrobial activity, and phage stability during simulated gastric digestion on sliced cucumbers, sliced apples, and whole cherry tomatoes. In this evaluation, phages coated on fresh produce using edible whey protein isolate (WPI) were compared with phages coated from an aqueous suspension (control coating). The results demonstrated that WPI coatings load more phages than the control and enhanced phage stability during cold storage (4 °C) for cut apples and whole cherry tomatoes. Phage stability decreased by 1 to 3 log(PFU) in a simulated gastric environment. Phage antimicrobial activity against Escherichia coli BL21 decreased 2 to 4 log(CFU) of bacteria on cut apples and whole cherry tomatoes, while no significant bacterial reduction was observed for sliced cucumbers. Overall, the results show that WPI dip coating provides phage loading, stability, and antimicrobial activity to produce surfaces compared to the control coating, and thus may be considered an effective approach for extending phage therapy on fresh produce. The practical application is to prevent bacterial cross contamination of fresh produce by using a combination of edible coating with bacteriophages. The results demonstrate enhanced loading and stability of phages on fresh produce when used in combination with an edible coating. © 2018 Institute of Food Technologists®.

Applications of Computational Methods for Dynamic Stability and Control Derivatives

NASA Technical Reports Server (NTRS)

Green, Lawrence L.; Spence, Angela M.

2004-01-01

Initial steps in the application o f a low-order panel method computational fluid dynamic (CFD) code to the calculation of aircraft dynamic stability and control (S&C) derivatives are documented. Several capabilities, unique to CFD but not unique to this particular demonstration, are identified and demonstrated in this paper. These unique capabilities complement conventional S&C techniques and they include the ability to: 1) perform maneuvers without the flow-kinematic restrictions and support interference commonly associated with experimental S&C facilities, 2) easily simulate advanced S&C testing techniques, 3) compute exact S&C derivatives with uncertainty propagation bounds, and 4) alter the flow physics associated with a particular testing technique from those observed in a wind or water tunnel test in order to isolate effects. Also presented are discussions about some computational issues associated with the simulation of S&C tests and selected results from numerous surface grid resolution studies performed during the course of the study.

Integrated Application of Active Controls (IAAC) technology to an advanced subsonic transport project. ACT/Control/Guidance System study, volume 1

NASA Technical Reports Server (NTRS)

1982-01-01

The active control technology (ACT) control/guidance system task of the integrated application of active controls (IAAC) technology project within the NASA energy efficient transport program was documented. The air traffic environment of navigation and air traffic control systems and procedures were extrapolated. An approach to listing flight functions which will be performed by systems and crew of an ACT configured airplane of the 1990s, and a determination of function criticalities to safety of flight, are the basis of candidate integrated ACT/Control/Guidance System architecture. The system mechanizes five active control functions: pitch augmented stability, angle of attack limiting, lateral/directional augmented stability, gust load alleviation, and maneuver load control. The scope and requirements of a program for simulating the integrated ACT avionics and flight deck system, with pilot in the loop, are defined, system and crew interface elements are simulated, and mechanization is recommended. Relationships between system design and crew roles and procedures are evaluated.

Fast Dynamic Simulation-Based Small Signal Stability Assessment and Control

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

Acharya, Naresh; Baone, Chaitanya; Veda, Santosh

2014-12-31

Power grid planning and operation decisions are made based on simulation of the dynamic behavior of the system. Enabling substantial energy savings while increasing the reliability of the aging North American power grid through improved utilization of existing transmission assets hinges on the adoption of wide-area measurement systems (WAMS) for power system stabilization. However, adoption of WAMS alone will not suffice if the power system is to reach its full entitlement in stability and reliability. It is necessary to enhance predictability with "faster than real-time" dynamic simulations that will enable the dynamic stability margins, proactive real-time control, and improve gridmore » resiliency to fast time-scale phenomena such as cascading network failures. Present-day dynamic simulations are performed only during offline planning studies, considering only worst case conditions such as summer peak, winter peak days, etc. With widespread deployment of renewable generation, controllable loads, energy storage devices and plug-in hybrid electric vehicles expected in the near future and greater integration of cyber infrastructure (communications, computation and control), monitoring and controlling the dynamic performance of the grid in real-time would become increasingly important. The state-of-the-art dynamic simulation tools have limited computational speed and are not suitable for real-time applications, given the large set of contingency conditions to be evaluated. These tools are optimized for best performance of single-processor computers, but the simulation is still several times slower than real-time due to its computational complexity. With recent significant advances in numerical methods and computational hardware, the expectations have been rising towards more efficient and faster techniques to be implemented in power system simulators. This is a natural expectation, given that the core solution algorithms of most commercial simulators were developed decades ago, when High Performance Computing (HPC) resources were not commonly available.« less

An innovative exercise method to simulate orbital EVA work - Applications to PLSS automatic controls

NASA Technical Reports Server (NTRS)

Lantz, Renee; Vykukal, H.; Webbon, Bruce

1987-01-01

An exercise method has been proposed which may satisfy the current need for a laboratory simulation representative of muscular, cardiovascular, respiratory, and thermoregulatory responses to work during orbital extravehicular activity (EVA). The simulation incorporates arm crank ergometry with a unique body support mechanism that allows all body position stabilization forces to be reacted at the feet. By instituting this exercise method in laboratory experimentation, an advanced portable life support system (PLSS) thermoregulatory control system can be designed to more accurately reflect the specific work requirements of orbital EVA.

Numerical simulations and linear stability analysis of a boundary layer developed on wavy surfaces

NASA Astrophysics Data System (ADS)

Siconolfi, Lorenzo; Camarri, Simone; Fransson, Jens H. M.

2015-11-01

The development of passive methods leading to a laminar to turbulent transition delay in a boundary layer (BL) is a topic of great interest both for applications and academic research. In literature it has been shown that a proper and stable spanwise velocity modulation can reduce the growth rate of Tollmien-Schlichting (TS) waves and delay transition. In this study, we investigate numerically the possibility of obtaining a stabilizing effect of the TS waves through the use of a spanwise sinusoidal modulation of a flat plate. This type of control has been already successfully investigated experimentally. An extensive set of direct numerical simulations is carried out to study the evolution of a BL flow developed on wavy surfaces with different geometric characteristics, and the results will be presented here. Moreover, since this configuration is characterized by a slowly-varying flow field in streamwise direction, a local stability analysis is applied to define the neutral stability curves for the BL flow controlled by this type of wall modifications. These results give the possibility of investigating this control strategy and understanding the effect of the free parameters on the stabilization mechanism.

Assessment of sampling stability in ecological applications of discriminant analysis

USGS Publications Warehouse

Williams, B.K.; Titus, K.

1988-01-01

A simulation study was undertaken to assess the sampling stability of the variable loadings in linear discriminant function analysis. A factorial design was used for the factors of multivariate dimensionality, dispersion structure, configuration of group means, and sample size. A total of 32,400 discriminant analyses were conducted, based on data from simulated populations with appropriate underlying statistical distributions. A review of 60 published studies and 142 individual analyses indicated that sample sizes in ecological studies often have met that requirement. However, individual group sample sizes frequently were very unequal, and checks of assumptions usually were not reported. The authors recommend that ecologists obtain group sample sizes that are at least three times as large as the number of variables measured.

Modeling and stability of electro-hydraulic servo of hydraulic excavator

NASA Astrophysics Data System (ADS)

Jia, Wenhua; Yin, Chenbo; Li, Guo; Sun, Menghui

2017-11-01

The condition of the hydraulic excavator is complicated and the working environment is bad. The safety and stability of the control system is influenced by the external factors. This paper selects hydraulic excavator electro-hydraulic servo system as the research object. A mathematical model and simulation model using AMESIM of servo system is established. Then the pressure and flow characteristics are analyzed. The design and optimization of electro-hydraulic servo system and its application in engineering machinery is provided.

How PEGylation enhances the stability and potency of insulin: a molecular dynamics simulation.

PubMed

Yang, Cheng; Lu, Diannan; Liu, Zheng

2011-04-05

While the effectiveness of PEGylation in enhancing the stability and potency of protein pharmaceuticals has been validated for years, the underlying mechanism remains poorly understood, particularly at the molecular level. A molecular dynamics simulation was developed using an annealing procedure that allowed an all-atom level examination of the interaction between PEG polymers of different chain lengths and a conjugated protein represented by insulin. It was shown that PEG became entangled around the protein surface through hydrophobic interaction and concurrently formed hydrogen bonds with the surrounding water molecules. In addition to enhancing its structural stability, as indicated by the root-mean-square difference (rmsd) and secondary structure analyses, conjugation increased the size of the protein drug while decreasing the solvent accessible surface area of the protein. All these thus led to prolonged circulation life despite kidney filtration, proteolysis, and immunogenic side effects, as experimentally demonstrated elsewhere. Moreover, the simulation results indicated that an optimal chain length exists that would maximize drug potency underpinned by the parameters mentioned above. The simulation provided molecular insight into the interaction between PEG and the conjugated protein at the all-atom level and offered a tool that would allow for the design of PEGylated protein pharmaceuticals for given applications.

Nonlinear stability research on the hydraulic system of double-side rolling shear.

PubMed

Wang, Jun; Huang, Qingxue; An, Gaocheng; Qi, Qisong; Sun, Binyu

2015-10-01

This paper researches the stability of the nonlinear system taking the hydraulic system of double-side rolling shear as an example. The hydraulic system of double-side rolling shear uses unsymmetrical electro-hydraulic proportional servo valve to control the cylinder with single piston rod, which can make best use of the space and reduce reversing shock. It is a typical nonlinear structure. The nonlinear state-space equations of the unsymmetrical valve controlling cylinder system are built first, and the second Lyapunov method is used to evaluate its stability. Second, the software AMEsim is applied to simulate the nonlinear system, and the results indicate that the system is stable. At last, the experimental results show that the system unsymmetrical valve controlling the cylinder with single piston rod is stable and conforms to what is deduced by theoretical analysis and simulation. The construction and application of Lyapunov function not only provide the theoretical basis for using of unsymmetrical valve controlling cylinder with single piston rod but also develop a new thought for nonlinear stability evaluation.

Nonlinear stability research on the hydraulic system of double-side rolling shear

NASA Astrophysics Data System (ADS)

Wang, Jun; Huang, Qingxue; An, Gaocheng; Qi, Qisong; Sun, Binyu

2015-10-01

This paper researches the stability of the nonlinear system taking the hydraulic system of double-side rolling shear as an example. The hydraulic system of double-side rolling shear uses unsymmetrical electro-hydraulic proportional servo valve to control the cylinder with single piston rod, which can make best use of the space and reduce reversing shock. It is a typical nonlinear structure. The nonlinear state-space equations of the unsymmetrical valve controlling cylinder system are built first, and the second Lyapunov method is used to evaluate its stability. Second, the software AMEsim is applied to simulate the nonlinear system, and the results indicate that the system is stable. At last, the experimental results show that the system unsymmetrical valve controlling the cylinder with single piston rod is stable and conforms to what is deduced by theoretical analysis and simulation. The construction and application of Lyapunov function not only provide the theoretical basis for using of unsymmetrical valve controlling cylinder with single piston rod but also develop a new thought for nonlinear stability evaluation.

Kinetic Monte Carlo Investigation of the Effects of Vacancy Pairing on Oxygen Diffusivity in Yttria-Stabilized Zirconia

NASA Technical Reports Server (NTRS)

Good, Brian S.

2011-01-01

Yttria-stabilized zirconia s high oxygen diffusivity and corresponding high ionic conductivity, and its structural stability over a broad range of temperatures, have made the material of interest for use in a number of applications, for example, as solid electrolytes in fuel cells. At low concentrations, the stabilizing yttria also serves to increase the oxygen diffusivity through the presence of corresponding oxygen vacancies, needed to maintain charge neutrality. At higher yttria concentration, however, diffusivity is impeded by the larger number of relatively high energy migration barriers associated with yttrium cations. In addition, there is evidence that oxygen vacancies preferentially occupy nearest-neighbor sites around either dopant or Zr cations, further affecting vacancy diffusion. We present the results of ab initio calculations that indicate that it is energetically favorable for oxygen vacancies to occupy nearest-neighbor sites adjacent to Y ions, and that the presence of vacancies near either species of cation lowers the migration barriers. Kinetic Monte Carlo results from simulations incorporating this effect are presented and compared with results from simulations in which the effect is not present.

Development and application of a local linearization algorithm for the integration of quaternion rate equations in real-time flight simulation problems

NASA Technical Reports Server (NTRS)

Barker, L. E., Jr.; Bowles, R. L.; Williams, L. H.

1973-01-01

High angular rates encountered in real-time flight simulation problems may require a more stable and accurate integration method than the classical methods normally used. A study was made to develop a general local linearization procedure of integrating dynamic system equations when using a digital computer in real-time. The procedure is specifically applied to the integration of the quaternion rate equations. For this application, results are compared to a classical second-order method. The local linearization approach is shown to have desirable stability characteristics and gives significant improvement in accuracy over the classical second-order integration methods.

Area 2. Use Of Engineered Nanoparticle-Stabilized CO 2 Foams To Improve Volumetric Sweep Of CO 2 EOR Processes

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

DiCarlo, David; Huh, Chun; Johnston, Keith P.

2015-01-31

The goal of this project was to develop a new CO 2 injection enhanced oil recovery (CO 2-EOR) process using engineered nanoparticles with optimized surface coatings that has better volumetric sweep efficiency and a wider application range than conventional CO 2-EOR processes. The main objectives of this project were to (1) identify the characteristics of the optimal nanoparticles that generate extremely stable CO 2 foams in situ in reservoir regions without oil; (2) develop a novel method of mobility control using “self-guiding” foams with smart nanoparticles; and (3) extend the applicability of the new method to reservoirs having a widemore » range of salinity, temperatures, and heterogeneity. Concurrent with our experimental effort to understand the foam generation and transport processes and foam-induced mobility reduction, we also developed mathematical models to explain the underlying processes and mechanisms that govern the fate of nanoparticle-stabilized CO 2 foams in porous media and applied these models to (1) simulate the results of foam generation and transport experiments conducted in beadpack and sandstone core systems, (2) analyze CO 2 injection data received from a field operator, and (3) aid with the design of a foam injection pilot test. Our simulator is applicable to near-injection well field-scale foam injection problems and accounts for the effects due to layered heterogeneity in permeability field, foam stabilizing agents effects, oil presence, and shear-thinning on the generation and transport of nanoparticle-stabilized C/W foams. This report presents the details of our experimental and numerical modeling work and outlines the highlights of our findings.« less

Mechanical and thermal stability of graphene and graphene-based materials

NASA Astrophysics Data System (ADS)

Galashev, A. E.; Rakhmanova, O. R.

2014-10-01

Graphene has rapidly become one of the most popular materials for technological applications and a test material for new condensed matter ideas. This paper reviews the mechanical properties of graphene and effects related to them that have recently been discovered experimentally or predicted theoretically or by simulation. The topics discussed are of key importance for graphene's use in integrated electronics, thermal materials, and electromechanical devices and include the following: graphene transformation into other sp^2 hybridization forms; stability to stretching and compression; ion-beam-induced structural modifications; how defects and graphene edges affect the electronic properties and thermal stability of graphene and related composites.

3D Multispecies Nonlinear Perturbative Particle Simulation of Intense Nonneutral Particle Beams (Research supported by the Department of Energy and the Short Pulse Spallation Source Project and LANSCE Division of LANL.)

NASA Astrophysics Data System (ADS)

Qin, Hong; Davidson, Ronald C.; Lee, W. Wei-Li

1999-11-01

The Beam Equilibrium Stability and Transport (BEST) code, a 3D multispecies nonlinear perturbative particle simulation code, has been developed to study collective effects in intense charged particle beams described self-consistently by the Vlasov-Maxwell equations. A Darwin model is adopted for transverse electromagnetic effects. As a 3D multispecies perturbative particle simulation code, it provides several unique capabilities. Since the simulation particles are used to simulate only the perturbed distribution function and self-fields, the simulation noise is reduced significantly. The perturbative approach also enables the code to investigate different physics effects separately, as well as simultaneously. The code can be easily switched between linear and nonlinear operation, and used to study both linear stability properties and nonlinear beam dynamics. These features, combined with 3D and multispecies capabilities, provides an effective tool to investigate the electron-ion two-stream instability, periodically focused solutions in alternating focusing fields, and many other important problems in nonlinear beam dynamics and accelerator physics. Applications to the two-stream instability are presented.

Morphological diversity of nitroguanidine crystals with enhanced mechanical performance and thermodynamic stability

NASA Astrophysics Data System (ADS)

Luo, Zhilong; Cui, Yingdan; Dong, Weibing; Xu, Qipeng; Zou, Gaoxing; Kang, Chao; Hou, Baohong; Chen, Song; Gong, Junbo

2017-12-01

Nitroguanidine (NQ) is a commonly used explosive, which has been widely used for both civilian and military explosive applications. However, the weak flowability and mechanical performance limit its application. In this work, mechanical performance and thermodynamic stability of NQ crystals were improved by controlling crystal morphologies in the crystallization process. Typical NQ crystals with multiple morphologies and single crystal form were obtained in the presence of additives during the cooling crystallization. The morphology controlled NQ crystals showed higher density, unimodal crystal size distribution and enhanced flowability. The additives showed the inhibitory effect on the nucleation of NQ crystals by in-situ FBRM and PVM determination, and the mechanism was analyzed by means of morphological prediction and molecular simulation. Furthermore, the morphology controlled NQ crystals suggested higher thermodynamic stability according to the calculation of entropy, enthalpy, Gibbs free energy and apparent activation energy on the basis of DSC results.

Comprehensive rotorcraft analysis methods

NASA Technical Reports Server (NTRS)

Stephens, Wendell B.; Austin, Edward E.

1988-01-01

The development and application of comprehensive rotorcraft analysis methods in the field of rotorcraft technology are described. These large scale analyses and the resulting computer programs are intended to treat the complex aeromechanical phenomena that describe the behavior of rotorcraft. They may be used to predict rotor aerodynamics, acoustic, performance, stability and control, handling qualities, loads and vibrations, structures, dynamics, and aeroelastic stability characteristics for a variety of applications including research, preliminary and detail design, and evaluation and treatment of field problems. The principal comprehensive methods developed or under development in recent years and generally available to the rotorcraft community because of US Army Aviation Research and Technology Activity (ARTA) sponsorship of all or part of the software systems are the Rotorcraft Flight Simulation (C81), Dynamic System Coupler (DYSCO), Coupled Rotor/Airframe Vibration Analysis Program (SIMVIB), Comprehensive Analytical Model of Rotorcraft Aerodynamics and Dynamics (CAMRAD), General Rotorcraft Aeromechanical Stability Program (GRASP), and Second Generation Comprehensive Helicopter Analysis System (2GCHAS).

An Ultrastable Heterobimetallic Uranium(IV)/Vanadium(III) Solid Compound Protected by a Redox-Active Phosphite Ligand: Crystal Structure, Oxidative Dissolution, and First-Principles Simulation.

PubMed

Gui, Daxiang; Dai, Xing; Zheng, Tao; Wang, Xiangxiang; Silver, Mark A; Chen, Lanhua; Zhang, Chao; Diwu, Juan; Zhou, Ruhong; Chai, Zhifang; Wang, Shuao

2018-02-05

The first heterobimetallic uranium(IV)/vanadium(III) phosphite compound, Na 2 UV 2 (HPO 3 ) 6 (denoted as UVP), was synthesized via an in situ redox-active hydrothermal reaction. It exhibits superior hydrolytic and antioxidant stability compared to the majority of structures containing low-valent uranium or vanadium, further elucidated by first-principles simulations, and therefore shows potential applications in nuclear waste management.

A user's guide to the Flexible Spacecraft Dynamics and Control Program

NASA Technical Reports Server (NTRS)

Fedor, J. V.

1984-01-01

A guide to the use of the Flexible Spacecraft Dynamics Program (FSD) is presented covering input requirements, control words, orbit generation, spacecraft description and simulation options, and output definition. The program can be used in dynamics and control analysis as well as in orbit support of deployment and control of spacecraft. The program is applicable to inertially oriented spinning, Earth oriented or gravity gradient stabilized spacecraft. Internal and external environmental effects can be simulated.

Effects of Natural Osmolytes on the Protein Structure in Supercritical CO2: Molecular Level Evidence.

PubMed

Monhemi, Hassan; Housaindokht, Mohammad Reza; Nakhaei Pour, Ali

2015-08-20

Protein instability in supercritical CO2 limits the application of this green solvent in enzyme-catalyzed reactions. CO2 molecules act as a protein denaturant at high pressure under supercritical conditions. Here, for the first time, we show that natural osmolytes could stabilize protein conformation in supercritical CO2. Molecular dynamics simulation is used to monitor the effects of adding different natural osmolytes on the conformation and dynamics of chymotrypsin inhibitor 2 (CI2) in supercritical CO2. Simulations showed that CI2 is denatured at 200 bar in supercritical CO2, which is in agreement with experimental observations. Interestingly, the protein conformation remains native after addition of ∼1 M amino acid- and sugar-based osmolyte models. These molecules stabilize protein through the formation of supramolecular self-assemblies resulting from macromolecule-osmolyte hydrogen bonds. Nevertheless, trimethylamine N-oxide, which is known as a potent osmolyte for protein stabilization in aqueous solutions, amplifies protein denaturation in supercritical CO2. On the basis of our structural analysis, we introduce a new mechanism for the osmolyte effect in supercritical CO2, an "inclusion mechanism". To the best of our knowledge, this is the first study that introduces the application of natural osmolytes in a supercritical fluid and describes mechanistic insights into osmolyte action in nonaqueous media.

CFD simulation of liquid-liquid dispersions in a stirred tank bioreactor

NASA Astrophysics Data System (ADS)

Gelves, R.

2013-10-01

In this paper simulations were developed in order to allow the examinations of drop sizes in liquid-liquid dispersions (oil-water) in a stirred tank bioreactor using CFD simulations (Computational Fluid Dynamics). The effects of turbulence, rotating flow, drop breakage were simulated by using the k-e, MRF (Multiple Reference Frame) and PBM (Population Balance Model), respectively. The numerical results from different operational conditions are compared with experimental data obtained from an endoscope technique and good agreement is achieved. Motivated by these simulated and experimental results CFD simulations are qualified as a very promising tool for predicting hydrodynamics and drop sizes especially useful for liquid-liquid applications which are characterized by the challenging problem of emulsion stability due to undesired drop sizes.

Robust Neural Sliding Mode Control of Robot Manipulators

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

Nguyen Tran Hiep; Pham Thuong Cat

2009-03-05

This paper proposes a robust neural sliding mode control method for robot tracking problem to overcome the noises and large uncertainties in robot dynamics. The Lyapunov direct method has been used to prove the stability of the overall system. Simulation results are given to illustrate the applicability of the proposed method.

Stability and Workload of the Virtual Reality-Based Simulator-2.

PubMed

Kamaraj, Deepan C; Dicianno, Brad E; Mahajan, Harshal P; Buhari, Alhaji M; Cooper, Rory A

2016-07-01

To assess the stability of clinicians' and users' rating of electric-powered wheelchair (EPW) driving while using 4 different human-machine interfaces (HMIs) within the Virtual Reality-based SIMulator-version 2 (VRSIM-2) and in the real world (accounting for a total of 5 unique driving conditions). Within-subjects repeated-measures design. Simulation-based assessment in a research laboratory. A convenience sample of EPW athletes (N=21) recruited at the 31st National Veterans Wheelchair Games. Not applicable. Composite PMRT scores from the Power Mobility Road Test (PMRT); Raw Task Load Index; and the 6 subscale scores from the Task Load Index developed by the National Aeronautics and Space Administration (NASA-TLX). There was moderate stability (intraclass correlation coefficient between .50 and .75) in the total composite PMRT scores (P<.001) and the users' self-reported performance scores (P<.001) among the 5 driving conditions. There was a significant difference in the workload among the 5 different driving conditions as reflected by the Raw Task Load Index (P=.009). Subanalyses revealed this difference was due to the difference in the mental demand (P=.007) and frustration (P=.007) subscales. Post hoc analyses revealed that these differences in the NASA-TLX subscale scores were due to the differences between real-world and virtual driving scores, particularly attributable to the conditions (1 and 3) that lacked the rollers as a part of the simulation. Further design improvements in the simulator to increase immersion experienced by the EPW user, along with a standardized training program for clinicians to deliver PMRT in VRSIM-2, could improve the stability between the different HMIs and real-world driving. Copyright © 2016 American Congress of Rehabilitation Medicine. Published by Elsevier Inc. All rights reserved.

Stability of triangular lagrangian points in elliptical restricted three body problem under the radiating binary systems

NASA Astrophysics Data System (ADS)

Narayan, A.; Singh, Nutan

2014-10-01

This paper studies the stability of Triangular Lagrangian points in the model of elliptical restricted three body problem, under the assumption that both the primaries are radiating. The model proposed is applicable to the well known binary systems Achird, Luyten, αCen AB, Kruger-60, Xi-Bootis. Conditional stability of the motion around the triangular points exists for 0≤ μ≤ μ ∗, where μ is the mass ratio. The method of averaging due to Grebenikov has been exploited throughout the analysis of stability of the system. The critical mass ratio depends on the combined effects of radiation of both the primaries and eccentricity of this orbit. It is found by adopting the simulation technique that the range of stability decreases as the radiation pressure parameter increases.

Effect of SBR feeding strategy and feed composition on the stability of aerobic granular sludge in the treatment of a simulated textile wastewater.

PubMed

Franca, R D G; Ortigueira, J; Pinheiro, H M; Lourenço, N D

2017-09-01

Treatment of the highly polluting and variable textile industry wastewater using aerobic granular sludge (AGS) sequencing batch reactors (SBRs) has been recently suggested. Aiming to develop this technology application, two feeding strategies were compared regarding the capacity of anaerobic-aerobic SBRs to deal with disturbances in the composition of the simulated textile wastewater feed. Both a statically fed, anaerobic-aerobic SBR and an anaerobic plug-flow fed, anaerobic-aerobic SBR could cope with shocks of high azo dye concentration and organic load, the overall chemical oxygen demand and color removal yields being rapidly restored to 80%. Yet, subsequent azo dye metabolite bioconversion was not observed, along the 315-day run. Moreover, switching from a starch-based substrate to acetate in the feed composition deteriorated AGS stability. Overall, the plug-flow fed SBR recovered more rapidly from the imposed disturbances. Further research is needed towards guaranteeing long-term AGS stability during the treatment of textile wastewater.

Two-Relaxation-Time Lattice Boltzmann Method for Advective-Diffusive-Reactive Transport

NASA Astrophysics Data System (ADS)

Yan, Z.; Hilpert, M.

2016-12-01

The lattice Boltzmann method (LBM) has been applied to study a wide range of reactive transport in porous and fractured media. The single-relaxation-time (SRT) LBM, employing single relaxation time, is the most popular LBM due to its simplicity of understanding and implementation. Nevertheless, the SRT LBM may suffer from numerical instability for small value of the relaxation time. By contrast, the multiple-relaxation-time (MRT) LBM, employing multiple relaxation times, can improve the numerical stability through tuning the multiple relaxation times, but the complexity of implementing this method restricts its applications. The two-relaxation-time (TRT) LBM, which employs two relaxation times, combines the advantages of SRT and MRT LBMs. The TRT LBM can produce simulations with better accuracy and stability than the SRT one, and is easier to implement than the MRT one. This work evaluated the numerical accuracy and stability of the TRT method by comparing the simulation results with analytical solutions of Gaussian hill transport and Taylor dispersion under different advective velocities. The accuracy generally increased with the tunable relaxation time τ, and the stability first increased and then decreased as τ increased, showing an optimal TRT method emerging the best numerical stability. The free selection of τ enabled the TRT LBM to simulate the Gaussian hill transport and Taylor dispersion under relatively high advective velocity, under which the SRT LBM suffered from numerical instability. Finally, the TRT method was applied to study the contaminant degradation by chemotactic microorganisms in porous media, which acted as a reprehensive of reactive transport in this study, and well predicted the evolution of microorganisms and degradation of contaminants for different transport scenarios. To sum up, the TRT LBM produced simulation results with good accuracy and stability for various advective-diffusive-reactive transport through tuning the relaxation time τ, illustrating its potential to study various biogeochemical behaviors in the subsurface environment.

A modified and stable version of a perfectly matched layer technique for the 3-d second order wave equation in time domain with an application to aeroacoustics

PubMed Central

Kaltenbacher, Barbara; Kaltenbacher, Manfred; Sim, Imbo

2013-01-01

We consider the second order wave equation in an unbounded domain and propose an advanced perfectly matched layer (PML) technique for its efficient and reliable simulation. In doing so, we concentrate on the time domain case and use the finite-element (FE) method for the space discretization. Our un-split-PML formulation requires four auxiliary variables within the PML region in three space dimensions. For a reduced version (rPML), we present a long time stability proof based on an energy analysis. The numerical case studies and an application example demonstrate the good performance and long time stability of our formulation for treating open domain problems. PMID:23888085

Atomic and Excitonic Stability in Dirac Materials: A White Dwarf Perspective

NASA Astrophysics Data System (ADS)

Velizhanin, Kirill

2014-03-01

Dirac materials - systems where the low-energy spectrum of electronic excitations can be understood via solving the Dirac equation - draw a great amount of attention of the scientific community lately due to their enormous application potential and interesting basic physics. Examples of such materials include carbon nanotubes, graphene and, more recently, single-layer transition metal dichalcogenides. One surprising application of Dirac materials is their use as a platform to simulate various atomic and high-energy physics ``on a chip.'' For example, graphene has been recently used to ``mimic'' an atomic collapse of superheavy atoms [Y. Wang et al, Science, 340, 734, 2013]. In this talk I will discuss an unexpected similarity between atomic and excitonic collapse in Dirac materials and the limit of stability of such exotic astrophysical objects as degenerate stars (e.g., white dwarfs, neutron stars). Various aspects of this similarity, e.g., an application of the concept of the Chandrasekhar limit to the exciton stability in transition metal dichalcogenides, will be discussed. This work was performed under the NNSA of the U.S. DOE at LANL under Contract No. DE-AC52-06NA25396.

Application of polynomial control to design a robust oscillation-damping controller in a multimachine power system.

PubMed

Hasanvand, Hamed; Mozafari, Babak; Arvan, Mohammad R; Amraee, Turaj

2015-11-01

This paper addresses the application of a static Var compensator (SVC) to improve the damping of interarea oscillations. Optimal location and size of SVC are defined using bifurcation and modal analysis to satisfy its primary application. Furthermore, the best-input signal for damping controller is selected using Hankel singular values and right half plane-zeros. The proposed approach is aimed to design a robust PI controller based on interval plants and Kharitonov's theorem. The objective here is to determine the stability region to attain robust stability, the desired phase margin, gain margin, and bandwidth. The intersection of the resulting stability regions yields the set of kp-ki parameters. In addition, optimal multiobjective design of PI controller using particle swarm optimization (PSO) algorithm is presented. The effectiveness of the suggested controllers in damping of local and interarea oscillation modes of a multimachine power system, over a wide range of loading conditions and system configurations, is confirmed through eigenvalue analysis and nonlinear time domain simulation. Copyright © 2015 ISA. Published by Elsevier Ltd. All rights reserved.

Quadruplex digital flight control system assessment

NASA Technical Reports Server (NTRS)

Mulcare, D. B.; Downing, L. E.; Smith, M. K.

1988-01-01

Described are the development and validation of a double fail-operational digital flight control system architecture for critical pitch axis functions. Architectural tradeoffs are assessed, system simulator modifications are described, and demonstration testing results are critiqued. Assessment tools and their application are also illustrated. Ultimately, the vital role of system simulation, tailored to digital mechanization attributes, is shown to be essential to validating the airworthiness of full-time critical functions such as augmented fly-by-wire systems for relaxed static stability airplanes.

A Multi-domain Spectral Method for Supersonic Reactive Flows

NASA Technical Reports Server (NTRS)

Don, Wai-Sun; Gottlieb, David; Jung, Jae-Hun; Bushnell, Dennis M. (Technical Monitor)

2002-01-01

This paper has a dual purpose: it presents a multidomain Chebyshev method for the solution of the two-dimensional reactive compressible Navier-Stokes equations, and it reports the results of the application of this code to the numerical simulations of high Mach number reactive flows in recessed cavity. The computational method utilizes newly derived interface boundary conditions as well as an adaptive filtering technique to stabilize the computations. The results of the simulations are relevant to recessed cavity flameholders.

Problem reporting management system performance simulation

NASA Technical Reports Server (NTRS)

Vannatta, David S.

1993-01-01

This paper proposes the Problem Reporting Management System (PRMS) model as an effective discrete simulation tool that determines the risks involved during the development phase of a Trouble Tracking Reporting Data Base replacement system. The model considers the type of equipment and networks which will be used in the replacement system as well as varying user loads, size of the database, and expected operational availability. The paper discusses the dynamics, stability, and application of the PRMS and addresses suggested concepts to enhance the service performance and enrich them.

Impulsive stabilization and impulsive synchronization of discrete-time delayed neural networks.

PubMed

Chen, Wu-Hua; Lu, Xiaomei; Zheng, Wei Xing

2015-04-01

This paper investigates the problems of impulsive stabilization and impulsive synchronization of discrete-time delayed neural networks (DDNNs). Two types of DDNNs with stabilizing impulses are studied. By introducing the time-varying Lyapunov functional to capture the dynamical characteristics of discrete-time impulsive delayed neural networks (DIDNNs) and by using a convex combination technique, new exponential stability criteria are derived in terms of linear matrix inequalities. The stability criteria for DIDNNs are independent of the size of time delay but rely on the lengths of impulsive intervals. With the newly obtained stability results, sufficient conditions on the existence of linear-state feedback impulsive controllers are derived. Moreover, a novel impulsive synchronization scheme for two identical DDNNs is proposed. The novel impulsive synchronization scheme allows synchronizing two identical DDNNs with unknown delays. Simulation results are given to validate the effectiveness of the proposed criteria of impulsive stabilization and impulsive synchronization of DDNNs. Finally, an application of the obtained impulsive synchronization result for two identical chaotic DDNNs to a secure communication scheme is presented.

Thermal stability and unfolding pathways of hyperthermophilic and mesophilic periplasmic binding proteins studied by molecular dynamics simulation.

PubMed

Chen, Lin; Li, Xue; Wang, Ruige; Fang, Fengqin; Yang, Wanli; Kan, Wei

2016-07-01

The ribose binding protein (RBP), a sugar-binding periplasmic protein, is involved in the transport and signaling processes in both prokaryotes and eukaryotes. Although several cellular and structural studies have been reported, a description of the thermostability of RBP at the molecular level remains elusive. Focused on the hyperthermophilic Thermoytoga maritima RBP (tmRBP) and mesophilic Escherichia coli homolog (ecRBP), we applied molecular dynamics simulations at four different temperatures (300, 380, 450, and 500 K) to obtain a deeper insight into the structural features responsible for the reduced thermostability of the ecRBP. The simulations results indicate that there are distinct structural differences in the unfolding pathway between the two homologs and the ecRBP unfolds faster than the hyperthermophilic homologs at certain temperatures in accordance with the lower thermal stability found experimentally. Essential dynamics analysis uncovers that the essential subspaces of ecRBP and tmRBP are non-overlapping and these two proteins show different directions of motion within the simulations trajectories. Such an understanding is required for designing efficient proteins with characteristics for a particular application.

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

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

Diao, Ruisheng; Jin, Shuangshuang; Howell, Frederic

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

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.

Thermal control/oxidation resistant coatings for titanium-based alloys

NASA Technical Reports Server (NTRS)

Clark, Ronald K.; Wallace, Terryl A.; Cunnington, George R.; Wiedemann, Karl E.

1992-01-01

Extensive research and development efforts have been expended toward development of thermal control and environmental protection coatings for NASP and generic hypersonic vehicle applications. The objective of the coatings development activities summarized here was to develop light-weight coatings for protecting advanced titanium alloys from oxidation in hypersonic vehicle applications. A number of new coating concepts have been evaluated. Coated samples were exposed to static oxidation tests at temperatures up to 1000 C using a thermogravimetric apparatus. Samples were also exposed to simulated hypersonic flight conditions for up to 10 hr to determine their thermal and chemical stability and catalytic efficiency. The emittance of samples was determined before and after exposure to simulated hypersonic flight conditions.

Stochastic Characterization of Communication Network Latency for Wide Area Grid Control Applications.

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

Ameme, Dan Selorm Kwami; Guttromson, Ross

This report characterizes communications network latency under various network topologies and qualities of service (QoS). The characterizations are probabilistic in nature, allowing deeper analysis of stability for Internet Protocol (IP) based feedback control systems used in grid applications. The work involves the use of Raspberry Pi computers as a proxy for a controlled resource, and an ns-3 network simulator on a Linux server to create an experimental platform (testbed) that can be used to model wide-area grid control network communications in smart grid. Modbus protocol is used for information transport, and Routing Information Protocol is used for dynamic route selectionmore » within the simulated network.« less

Numerical Simulation And Experimental Investigation Of The Lift-Off And Blowout Of Enclosed Laminar Flames

NASA Technical Reports Server (NTRS)

Venuturmilli, Rajasekhar; Zhang, Yong; Chen, Lea-Der

2003-01-01

Enclosed flames are found in many industrial applications such as power plants, gas-turbine combustors and jet engine afterburners. A better understanding of the burner stability limits can lead to development of combustion systems that extend the lean and rich limits of combustor operations. This paper reports a fundamental study of the stability limits of co-flow laminar jet diffusion flames. A numerical study was conducted that used an adaptive mesh refinement scheme in the calculation. Experiments were conducted in two test rigs with two different fuels and diluted with three inert species. The numerical stability limits were compared with microgravity experimental data. Additional normal-gravity experimental results were also presented.

Insights from molecular dynamics simulations for computational protein design.

PubMed

Childers, Matthew Carter; Daggett, Valerie

2017-02-01

A grand challenge in the field of structural biology is to design and engineer proteins that exhibit targeted functions. Although much success on this front has been achieved, design success rates remain low, an ever-present reminder of our limited understanding of the relationship between amino acid sequences and the structures they adopt. In addition to experimental techniques and rational design strategies, computational methods have been employed to aid in the design and engineering of proteins. Molecular dynamics (MD) is one such method that simulates the motions of proteins according to classical dynamics. Here, we review how insights into protein dynamics derived from MD simulations have influenced the design of proteins. One of the greatest strengths of MD is its capacity to reveal information beyond what is available in the static structures deposited in the Protein Data Bank. In this regard simulations can be used to directly guide protein design by providing atomistic details of the dynamic molecular interactions contributing to protein stability and function. MD simulations can also be used as a virtual screening tool to rank, select, identify, and assess potential designs. MD is uniquely poised to inform protein design efforts where the application requires realistic models of protein dynamics and atomic level descriptions of the relationship between dynamics and function. Here, we review cases where MD simulations was used to modulate protein stability and protein function by providing information regarding the conformation(s), conformational transitions, interactions, and dynamics that govern stability and function. In addition, we discuss cases where conformations from protein folding/unfolding simulations have been exploited for protein design, yielding novel outcomes that could not be obtained from static structures.

Insights from molecular dynamics simulations for computational protein design

PubMed Central

Childers, Matthew Carter; Daggett, Valerie

2017-01-01

A grand challenge in the field of structural biology is to design and engineer proteins that exhibit targeted functions. Although much success on this front has been achieved, design success rates remain low, an ever-present reminder of our limited understanding of the relationship between amino acid sequences and the structures they adopt. In addition to experimental techniques and rational design strategies, computational methods have been employed to aid in the design and engineering of proteins. Molecular dynamics (MD) is one such method that simulates the motions of proteins according to classical dynamics. Here, we review how insights into protein dynamics derived from MD simulations have influenced the design of proteins. One of the greatest strengths of MD is its capacity to reveal information beyond what is available in the static structures deposited in the Protein Data Bank. In this regard simulations can be used to directly guide protein design by providing atomistic details of the dynamic molecular interactions contributing to protein stability and function. MD simulations can also be used as a virtual screening tool to rank, select, identify, and assess potential designs. MD is uniquely poised to inform protein design efforts where the application requires realistic models of protein dynamics and atomic level descriptions of the relationship between dynamics and function. Here, we review cases where MD simulations was used to modulate protein stability and protein function by providing information regarding the conformation(s), conformational transitions, interactions, and dynamics that govern stability and function. In addition, we discuss cases where conformations from protein folding/unfolding simulations have been exploited for protein design, yielding novel outcomes that could not be obtained from static structures. PMID:28239489

Generation of dense granular deposits for porosity analysis: assessment and application of large-scale non-smooth granular dynamics

NASA Astrophysics Data System (ADS)

Schruff, T.; Liang, R.; Rüde, U.; Schüttrumpf, H.; Frings, R. M.

2018-01-01

The knowledge of structural properties of granular materials such as porosity is highly important in many application-oriented and scientific fields. In this paper we present new results of computer-based packing simulations where we use the non-smooth granular dynamics (NSGD) method to simulate gravitational random dense packing of spherical particles with various particle size distributions and two types of depositional conditions. A bin packing scenario was used to compare simulation results to laboratory porosity measurements and to quantify the sensitivity of the NSGD regarding critical simulation parameters such as time step size. The results of the bin packing simulations agree well with laboratory measurements across all particle size distributions with all absolute errors below 1%. A large-scale packing scenario with periodic side walls was used to simulate the packing of up to 855,600 spherical particles with various particle size distributions (PSD). Simulation outcomes are used to quantify the effect of particle-domain-size ratio on the packing compaction. A simple correction model, based on the coordination number, is employed to compensate for this effect on the porosity and to determine the relationship between PSD and porosity. Promising accuracy and stability results paired with excellent computational performance recommend the application of NSGD for large-scale packing simulations, e.g. to further enhance the generation of representative granular deposits.

Integrating viscoelastic mass spring dampers into position-based dynamics to simulate soft tissue deformation in real time

PubMed Central

Lu, Yuhua; Liu, Qian

2018-01-01

We propose a novel method to simulate soft tissue deformation for virtual surgery applications. The method considers the mechanical properties of soft tissue, such as its viscoelasticity, nonlinearity and incompressibility; its speed, stability and accuracy also meet the requirements for a surgery simulator. Modifying the traditional equation for mass spring dampers (MSD) introduces nonlinearity and viscoelasticity into the calculation of elastic force. Then, the elastic force is used in the constraint projection step for naturally reducing constraint potential. The node position is enforced by the combined spring force and constraint conservative force through Newton's second law. We conduct a comparison study of conventional MSD and position-based dynamics for our new integrating method. Our approach enables stable, fast and large step simulation by freely controlling visual effects based on nonlinearity, viscoelasticity and incompressibility. We implement a laparoscopic cholecystectomy simulator to demonstrate the practicality of our method, in which liver and gallbladder deformation can be simulated in real time. Our method is an appropriate choice for the development of real-time virtual surgery applications. PMID:29515870

Integrating viscoelastic mass spring dampers into position-based dynamics to simulate soft tissue deformation in real time.

PubMed

Xu, Lang; Lu, Yuhua; Liu, Qian

2018-02-01

We propose a novel method to simulate soft tissue deformation for virtual surgery applications. The method considers the mechanical properties of soft tissue, such as its viscoelasticity, nonlinearity and incompressibility; its speed, stability and accuracy also meet the requirements for a surgery simulator. Modifying the traditional equation for mass spring dampers (MSD) introduces nonlinearity and viscoelasticity into the calculation of elastic force. Then, the elastic force is used in the constraint projection step for naturally reducing constraint potential. The node position is enforced by the combined spring force and constraint conservative force through Newton's second law. We conduct a comparison study of conventional MSD and position-based dynamics for our new integrating method. Our approach enables stable, fast and large step simulation by freely controlling visual effects based on nonlinearity, viscoelasticity and incompressibility. We implement a laparoscopic cholecystectomy simulator to demonstrate the practicality of our method, in which liver and gallbladder deformation can be simulated in real time. Our method is an appropriate choice for the development of real-time virtual surgery applications.

Thermal stability comparison of nanocrystalline Fe-based binary alloy pairs

DOE PAGES

Clark, Blythe G.; Hattar, Khalid Mikhiel; Marshall, Michael Thomas; ...

2016-03-24

Here, the widely recognized property improvements of nanocrystalline (NC) materials have generated significant interest, yet have been difficult to realize in engineering applications due to the propensity for grain growth in these interface-dense systems. While traditional pathways to thermal stabilization can slow the mobility of grain boundaries, recent theories suggest that solute segregation in NC alloy can reduce the grain boundary energy such that thermodynamic stabilization is achieved. Following the predictions of Murdock et al., here we compare for the first time the thermal stability of a predicted NC stable alloy (Fe-10at.% Mg) with a predicted non-NC stable alloy (Fe-10at.%more » Cu) using the same processing and characterization methodologies. Results indicate improved thermal stability of the Fe-Mg alloy in comparison to the Fe-Cu, and observed microstructures are consistent with those predicted by Monte Carlo simulations.« less

Continuous uniformly finite time exact disturbance observer based control for fixed-time stabilization of nonlinear systems with mismatched disturbances

PubMed Central

Liu, Chongxin; Liu, Hang

2017-01-01

This paper presents a continuous composite control scheme to achieve fixed-time stabilization for nonlinear systems with mismatched disturbances. The composite controller is constructed in two steps: First, uniformly finite time exact disturbance observers are proposed to estimate and compensate the disturbances. Then, based on adding a power integrator technique and fixed-time stability theory, continuous fixed-time stable state feedback controller and Lyapunov functions are constructed to achieve global fixed-time system stabilization. The proposed control method extends the existing fixed-time stable control results to high order nonlinear systems with mismatched disturbances and achieves global fixed-time system stabilization. Besides, the proposed control scheme improves the disturbance rejection performance and achieves performance recovery of nominal system. Simulation results are provided to show the effectiveness, the superiority and the applicability of the proposed control scheme. PMID:28406966

Liquid exfoliation of solvent-stabilized few-layer black phosphorus for applications beyond electronics

PubMed Central

Hanlon, Damien; Backes, Claudia; Doherty, Evie; Cucinotta, Clotilde S.; Berner, Nina C.; Boland, Conor; Lee, Kangho; Harvey, Andrew; Lynch, Peter; Gholamvand, Zahra; Zhang, Saifeng; Wang, Kangpeng; Moynihan, Glenn; Pokle, Anuj; Ramasse, Quentin M.; McEvoy, Niall; Blau, Werner J.; Wang, Jun; Abellan, Gonzalo; Hauke, Frank; Hirsch, Andreas; Sanvito, Stefano; O'Regan, David D.; Duesberg, Georg S.; Nicolosi, Valeria; Coleman, Jonathan N.

2015-01-01

Few-layer black phosphorus (BP) is a new two-dimensional material which is of great interest for applications, mainly in electronics. However, its lack of environmental stability severely limits its synthesis and processing. Here we demonstrate that high-quality, few-layer BP nanosheets, with controllable size and observable photoluminescence, can be produced in large quantities by liquid phase exfoliation under ambient conditions in solvents such as N-cyclohexyl-2-pyrrolidone (CHP). Nanosheets are surprisingly stable in CHP, probably due to the solvation shell protecting the nanosheets from reacting with water or oxygen. Experiments, supported by simulations, show reactions to occur only at the nanosheet edge, with the rate and extent of the reaction dependent on the water/oxygen content. We demonstrate that liquid-exfoliated BP nanosheets are potentially useful in a range of applications from ultrafast saturable absorbers to gas sensors to fillers for composite reinforcement. PMID:26469634

Subcontracted activities related to TES for building heating and cooling

NASA Technical Reports Server (NTRS)

Martin, J.

1980-01-01

The subcontract program elements related to thermal energy storage for building heating and cooling systems are outlined. The following factors are included: subcontracts in the utility load management application area; life and stability testing of packaged low cost energy storage materials; and development of thermal energy storage systems for residential space cooling. Resistance storage heater component development, demonstration of storage heater systems for residential applications, and simulation and evaluation of latent heat thermal energy storage (heat pump systems) are also discussed. Application of thermal energy storage for solar application and twin cities district heating are covered including an application analysis and technology assessment of thermal energy storage.

Comparable stability of Hoogsteen and Watson-Crick base pairs in ionic liquid choline dihydrogen phosphate.

PubMed

Tateishi-Karimata, Hisae; Nakano, Miki; Sugimoto, Naoki

2014-01-08

The instability of Hoogsteen base pairs relative to Watson-Crick base pairs has limited biological applications of triplex-forming oligonucleotides. Hydrated ionic liquids (ILs) provide favourable environments for a wide range of chemical reactions and are known to impact the stabilities of Watson-Crick base pairs. We found that DNA triplex formation was significantly stabilized in hydrated choline dihydrogen phosphate as compared with an aqueous buffer at neutral pH. Interestingly, the stability of Hoogsteen base pairs was found to be comparable with that of Watson-Crick base pairs in the hydrated IL. Molecular dynamics simulations of a DNA triplex in the presence of choline ions revealed that the DNA triplex was stabilized because of the binding of choline ion around the third strand in the grooves. Our finding will facilitate the development of new DNA materials. Our data also indicate that triplex formation may be stabilized inside cells where choline ions and their derivatives are abundant in vivo.

Comparable Stability of Hoogsteen and Watson–Crick Base Pairs in Ionic Liquid Choline Dihydrogen Phosphate

PubMed Central

Tateishi-Karimata, Hisae; Nakano, Miki; Sugimoto, Naoki

2014-01-01

The instability of Hoogsteen base pairs relative to Watson–Crick base pairs has limited biological applications of triplex-forming oligonucleotides. Hydrated ionic liquids (ILs) provide favourable environments for a wide range of chemical reactions and are known to impact the stabilities of Watson–Crick base pairs. We found that DNA triplex formation was significantly stabilized in hydrated choline dihydrogen phosphate as compared with an aqueous buffer at neutral pH. Interestingly, the stability of Hoogsteen base pairs was found to be comparable with that of Watson–Crick base pairs in the hydrated IL. Molecular dynamics simulations of a DNA triplex in the presence of choline ions revealed that the DNA triplex was stabilized because of the binding of choline ion around the third strand in the grooves. Our finding will facilitate the development of new DNA materials. Our data also indicate that triplex formation may be stabilized inside cells where choline ions and their derivatives are abundant in vivo. PMID:24399194

Validation and application of a stability-indicating HPLC method for the in vitro determination of gastric and intestinal stability of venlafaxine.

PubMed

Asafu-Adjaye, Ebenezer B; Faustino, Patrick J; Tawakkul, Mobin A; Anderson, Lawrence W; Yu, Lawrence X; Kwon, Hyojong; Volpe, Donna A

2007-04-11

Gastrointestinal stability of venlafaxine was evaluated in vitro in simulated gastric (SGF) and intestinal (SIF) fluids using a stability indicating HPLC method. The method was validated using a 5 microm Ascentis C18 column (150 mm x 4.6 mm) and mobile phase consisting of 30% acetonitrile in 20 mM potassium phosphate buffer (pH 6.5) delivered isocratically at a flow rate of 1 mL/min with UV detection at 228 nm. Venlafaxine in USP simulated gastric and intestinal fluids (0.4 mg/mL) was incubated at 37 degrees C in a shaking water bath. The gastric stability study samples were assayed at 0, 15, 30 and 60 min intervals while sampling for the intestinal stability study was at 0, 1, 2 and 3 h. System suitability determinations gave R.S.D.s of 0.68, 0.5 and 3.9% for retention factor (k'), peak area and tailing factor, respectively. The method was shown to be accurate, precise, specific, and linear over the analytical range. Intra- and inter-day precision was <5.3%. Forced degradation studies of drug substance in basic media at 70 degrees C as well as in H2O2 for 1 h and ultra-violet photostability studies at 255 and 365 nm for 24 h did not produce any detectable degradation products. Forced degradation studies of drug substance in acidic media at 70 degrees C for 1 h produced the dehydro-venlafaxine degradant. Venlafaxine was stable in SGF (pH approximately 1.2) for the 1-h incubation period and in SIF (pH 6.8) up to 3 h with <1.5% relative difference (RD) between the amount of drug added and that found for all time points. This stability experiment in simulated gastric and intestinal fluids suggests that drug loss in the gastrointestinal tract takes place by membrane permeation rather than a degradation process.

Three-dimensional modelling of slope stability using the Local Factor of Safety concept

NASA Astrophysics Data System (ADS)

Moradi, Shirin; Huisman, Sander; Beck, Martin; Vereecken, Harry; Class, Holger

2017-04-01

Slope stability is governed by coupled hydrological and mechanical processes. The slope stability depends on the effective stress, which in turn depends on the weight of the soil and the matrix potential. Therefore, changes in water content and matrix potential associated with infiltration will affect slope stability. Most available models describing these coupled hydro-mechanical processes either rely on a one- or two-dimensional representation of hydrological and mechanical properties and processes, which obviously is a strong simplification in many applications. Therefore, the aim of this work is to develop a three-dimensional hydro-mechanical model that is able to capture the effect of spatial and temporal variability of both mechanical and hydrological parameters on slope stability. For this, we rely on DuMux, which is a free and open-source simulator for flow and transport processes in porous media that facilitates coupling of different model approaches and offers flexibility for model development. We use the Richards equation to model unsaturated water flow. The simulated water content and matrix potential distribution is used to calculate the effective stress. We only consider linear elasticity and solve for statically admissible fields of stress and displacement without invoking failure or the redistribution of post-failure stress or displacement. The Local Factor of Safety concept is used to evaluate slope stability in order to overcome some of the main limitations of commonly used methods based on limit equilibrium considerations. In a first step, we compared our model implementation with a 2D benchmark model that was implemented in COMSOL Multiphysics. In a second step, we present in-silico experiments with the newly developed 3D model to show the effect of slope morphology, spatial variability in hydraulic and mechanical material properties, and spatially variable soil depth on simulated slope stability. It is expected that this improved physically-based three-dimensional hydro-mechanical model is able to provide more reliable slope instability predictions in more complex situations.

Effects of elasticity and geometry on the locomotion of a model bacterium

NASA Astrophysics Data System (ADS)

Nguyen, Frank; Graham, Michael

2017-11-01

The locomotion of flagellated bacteria in viscous fluid provides the blueprint for a number of micro-scale engineering applications. The elasticities of both the hook protein (connecting cell body and flagellum) and the flagella themselves play a key role in determining the stability of locomotion. We use a coarse-grained discretization of elastic flagella connected to a rigid cell body to examine trajectories and flow fields for free swimmers. We indeed find that hook and/or flagellar buckling occurs above a critical flexibility relative to the swimmer's torque input. This renders straight swimming ineffective, though not necessarily undesirable in practice. Simulations with multiple flagella show bundling may partially stabilize the buckling effect. For a single flagellum or single bundle, we define a parameter space of characteristic angles tracking the overall time-averaged shape of the swimmer while also delineating stability boundaries between different modes of buckling. Ultimately our results may provide insight on how swimmers move through complex environments and how to design microrobotic swimmers for specific applications. NHS, GERS.

Two-dimensional Lagrangian simulation of suspended sediment

USGS Publications Warehouse

Schoellhamer, David H.

1988-01-01

A two-dimensional laterally averaged model for suspended sediment transport in steady gradually varied flow that is based on the Lagrangian reference frame is presented. The layered Lagrangian transport model (LLTM) for suspended sediment performs laterally averaged concentration. The elevations of nearly horizontal streamlines and the simulation time step are selected to optimize model stability and efficiency. The computational elements are parcels of water that are moved along the streamlines in the Lagrangian sense and are mixed with neighboring parcels. Three applications show that the LLTM can accurately simulate theoretical and empirical nonequilibrium suspended sediment distributions and slug injections of suspended sediment in a laboratory flume.

Moment Lyapunov Exponent and Stochastic Stability of Binary Airfoil under Combined Harmonic and Non-Gaussian Colored Noise Excitations

NASA Astrophysics Data System (ADS)

Hu, D. L.; Liu, X. B.

Both periodic loading and random forces commonly co-exist in real engineering applications. However, the dynamic behavior, especially dynamic stability of systems under parametric periodic and random excitations has been reported little in the literature. In this study, the moment Lyapunov exponent and stochastic stability of binary airfoil under combined harmonic and non-Gaussian colored noise excitations are investigated. The noise is simplified to an Ornstein-Uhlenbeck process by applying the path-integral method. Via the singular perturbation method, the second-order expansions of the moment Lyapunov exponent are obtained, which agree well with the results obtained by the Monte Carlo simulation. Finally, the effects of the noise and parametric resonance (such as subharmonic resonance and combination additive resonance) on the stochastic stability of the binary airfoil system are discussed.

Application of FBG Sensing Technology in Stability Analysis of Geogrid-Reinforced Slope.

PubMed

Sun, Yijie; Xu, Hongzhong; Gu, Peng; Hu, Wenjie

2017-03-15

By installing FBG sensors on the geogrids, smart geogrids can both reinforce and monitor the stability for geogrid-reinforced slopes. In this paper, a geogrid-reinforced sand slope model test is conducted in the laboratory and fiber Bragg grating (FBG) sensing technology is used to measure the strain distribution of the geogrid. Based on the model test, the performance of the reinforced soil slope is simulated by finite element software Midas-GTS, and the stability of the reinforced soil slope is analyzed by strength reduction method. The relationship between the geogrid strain and the factor of safety is set up. The results indicate that the measured strain and calculated results agree very well. The geogrid strain measured by FBG sensor can be applied to evaluate the stability of geogrid-reinforced sand slopes.

Application of FBG Sensing Technology in Stability Analysis of Geogrid-Reinforced Slope

PubMed Central

Sun, Yijie; Xu, Hongzhong; Gu, Peng; Hu, Wenjie

2017-01-01

By installing FBG sensors on the geogrids, smart geogrids can both reinforce and monitor the stability for geogrid-reinforced slopes. In this paper, a geogrid-reinforced sand slope model test is conducted in the laboratory and fiber Bragg grating (FBG) sensing technology is used to measure the strain distribution of the geogrid. Based on the model test, the performance of the reinforced soil slope is simulated by finite element software Midas-GTS, and the stability of the reinforced soil slope is analyzed by strength reduction method. The relationship between the geogrid strain and the factor of safety is set up. The results indicate that the measured strain and calculated results agree very well. The geogrid strain measured by FBG sensor can be applied to evaluate the stability of geogrid-reinforced sand slopes. PMID:28294995

Modeling synchronous voltage source converters in transmission system planning studies

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

Kosterev, D.N.

1997-04-01

A Voltage Source Converter (VSC) can be beneficial to power utilities in many ways. To evaluate the VSC performance in potential applications, the device has to be represented appropriately in planning studies. This paper addresses VSC modeling for EMTP, powerflow, and transient stability studies. First, the VSC operating principles are overviewed, and the device model for EMTP studies is presented. The ratings of VSC components are discussed, and the device operating characteristics are derived based on these ratings. A powerflow model is presented and various control modes are proposed. A detailed stability model is developed, and its step-by-step initialization proceduremore » is described. A simplified stability model is also derived under stated assumptions. Finally, validation studies are performed to demonstrate performance of developed stability models and to compare it with EMTP simulations.« less

Generation-V dual-Purkinje-image eyetracker

NASA Technical Reports Server (NTRS)

Crane, H. D.; Steele, C. M.

1985-01-01

Major advances characterize the Generation-V dual-Purkinje-image eyetracker compared with the Generation-III version previously described. These advances include a large reduction in size, major improvements in frequency response and noise level, automatic alignment to a subject, and automatic adjustment for different separation between the visual and optic axes, which can vary considerably from subject to subject. In a number of applications described in the paper, the eyetracker is coupled with other highly specialized optical devices. These applications include accurately stabilizing an image on a subject's retina; accurately simulating a visually dead retinal region (i.e., a scotoma) of arbitrary shape, size, and position; and, for clinical purposes, stabilizing the position of a laser coagulator beam on a patient's retina so that the point of contact is unaffected by the patient's own eye movements.

Unveiling Stability Criteria of DNA-Carbon Nanotubes Constructs by Scanning Tunneling Microscopy and Computational Modeling

DOE PAGES

Kilina, Svetlana; Yarotski, Dzmitry A.; Talin, A. Alec; ...

2011-01-01

We present a combined approach that relies on computational simulations and scanning tunneling microscopy (STM) measurements to reveal morphological properties and stability criteria of carbon nanotube-DNA (CNT-DNA) constructs. Application of STM allows direct observation of very stable CNT-DNA hybrid structures with the well-defined DNA wrapping angle of 63.4 ° and a coiling period of 3.3 nm. Using force field simulations, we determine how the DNA-CNT binding energy depends on the sequence and binding geometry of a single strand DNA. This dependence allows us to quantitatively characterize the stability of a hybrid structure with an optimal π-stacking between DNA nucleotides and themore » tube surface and better interpret STM data. Our simulations clearly demonstrate the existence of a very stable DNA binding geometry for (6,5) CNT as evidenced by the presence of a well-defined minimum in the binding energy as a function of an angle between DNA strand and the nanotube chiral vector. This novel approach demonstrates the feasibility of CNT-DNA geometry studies with subnanometer resolution and paves the way towards complete characterization of the structural and electronic properties of drug-delivering systems based on DNA-CNT hybrids as a function of DNA sequence and a nanotube chirality.« less

Transonic Symposium: Theory, Application, and Experiment, volume 1, part 2

NASA Technical Reports Server (NTRS)

Foughner, Jerome T., Jr. (Compiler)

1989-01-01

In order to assess the state of the art in transonic flow disciplines and to glimpse at future directions, NASA-Langley held a Transonic Symposium. Emphasis was placed on steady, three dimensional external, transonic flow and its simulation, both numerically and experimentally. The symposium included technical sessions on wind tunnel and flight experiments; computational fluid dynamic applications; inviscid methods and grid generation; viscous methods and boundary layer stability; and wind tunnel techniques and wall interference. This, being volume 1, is unclassified.

A weighted multiple-relaxation-time lattice Boltzmann method for multiphase flows and its application to partial coalescence cascades

NASA Astrophysics Data System (ADS)

Fakhari, Abbas; Bolster, Diogo; Luo, Li-Shi

2017-07-01

We present a lattice Boltzmann method (LBM) with a weighted multiple-relaxation-time (WMRT) collision model and an adaptive mesh refinement (AMR) algorithm for direct numerical simulation of two-phase flows in three dimensions. The proposed WMRT model enhances the numerical stability of the LBM for immiscible fluids at high density ratios, particularly on the D3Q27 lattice. The effectiveness and efficiency of the proposed WMRT-LBM-AMR is validated through simulations of (a) buoyancy-driven motion and deformation of a gas bubble rising in a viscous liquid; (b) the bag-breakup mechanism of a falling drop; (c) crown splashing of a droplet on a wet surface; and (d) the partial coalescence mechanism of a liquid drop at a liquid-liquid interface. The numerical simulations agree well with available experimental data and theoretical approximations where applicable.

Computational Methods for Dynamic Stability and Control Derivatives

NASA Technical Reports Server (NTRS)

Green, Lawrence L.; Spence, Angela M.; Murphy, Patrick C.

2003-01-01

Force and moment measurements from an F-16XL during forced pitch oscillation tests result in dynamic stability derivatives, which are measured in combinations. Initial computational simulations of the motions and combined derivatives are attempted via a low-order, time-dependent panel method computational fluid dynamics code. The code dynamics are shown to be highly questionable for this application and the chosen configuration. However, three methods to computationally separate such combined dynamic stability derivatives are proposed. One of the separation techniques is demonstrated on the measured forced pitch oscillation data. Extensions of the separation techniques to yawing and rolling motions are discussed. In addition, the possibility of considering the angles of attack and sideslip state vector elements as distributed quantities, rather than point quantities, is introduced.

Computational Methods for Dynamic Stability and Control Derivatives

NASA Technical Reports Server (NTRS)

Green, Lawrence L.; Spence, Angela M.; Murphy, Patrick C.

2004-01-01

Force and moment measurements from an F-16XL during forced pitch oscillation tests result in dynamic stability derivatives, which are measured in combinations. Initial computational simulations of the motions and combined derivatives are attempted via a low-order, time-dependent panel method computational fluid dynamics code. The code dynamics are shown to be highly questionable for this application and the chosen configuration. However, three methods to computationally separate such combined dynamic stability derivatives are proposed. One of the separation techniques is demonstrated on the measured forced pitch oscillation data. Extensions of the separation techniques to yawing and rolling motions are discussed. In addition, the possibility of considering the angles of attack and sideslip state vector elements as distributed quantities, rather than point quantities, is introduced.

Numerical simulation and stability analysis of solutocapillary effect in ultrathin films

NASA Astrophysics Data System (ADS)

Gordeeva, V. Yu.; Lyushnin, A. V.

2017-04-01

Polar fluids, like water or polydimethylsiloxane, are widely used in technical and medical applications. Capillary effects arising from surface tension gradients can be significant in thin liquid films. The present paper is dedicated to investigation of capillary flow due to a surfactant added to a polar liquid under conditions when intermolecular forces and disjoining pressure play an important role. Evolution equations are formulated for a film profile and the surfactant concentration. Stability analysis shows that the Marangoni effect destabilizes the film, and oscillatory modes appear at slow evaporation rates. We find that the film has four stability modes of at slow evaporation: monotonic stable, monotonic unstable, oscillatory stable, and oscillatory unstable, depending on the wave number of disturbances.

Power System Transient Stability Improvement by the Interline Power Flow Controller (IPFC)

NASA Astrophysics Data System (ADS)

Zhang, Jun; Yokoyama, Akihiko

This paper presents a study on the power system transient stability improvement by means of interline power flow controller (IPFC). The power injection model of IPFC in transient analysis is proposed and can be easily incorporated into existing power systems. Based on the energy function analysis, the operation of IPFC should guarantee that the time derivative of the global energy of the system is not greater than zero in order to damp the electromechanical oscillations. Accordingly, control laws of IPFC are proposed for its application to the single-machine infinite-bus (SMIB) system and the multimachine systems, respectively. Numerical simulations on the corresponding model power systems are presented to demonstrate their effectiveness in improving power system transient stability.

The Design of Power System Stability Controller Based on the PCH Theory and Improved Genetic Algorithm

NASA Astrophysics Data System (ADS)

Liu, Zhijian; Yin, Donghui; Yan, Jun

2017-05-01

Low frequency oscillation is still frequently happened in the power system and it affects the safety and stability of power system directly. With the continuously expending of the interconnection scale of power grid, the risk of low frequency oscillation becomes more and more noticeable. Firstly, the basic theory of port-controlled Hamilton (PCH) and its application is analyzed. Secondly, based on the PCH theory and the dynamic model of system, from the viewpoint of energy, the nonlinear stability controller of power system is designed. By the improved genetic algorithm, the parameters of the PCH model are optimized. Finally, a simulation model with PCH is built to vary the effectiveness of the method proposed in this paper.

An approach to value-based simulator selection: The creation and evaluation of the simulator value index tool.

PubMed

Rooney, Deborah M; Hananel, David M; Covington, Benjamin J; Dionise, Patrick L; Nykamp, Michael T; Pederson, Melvin; Sahloul, Jamal M; Vasquez, Rachael; Seagull, F Jacob; Pinsky, Harold M; Sweier, Domenica G; Cooke, James M

2018-04-01

Currently there is no reliable, standardized mechanism to support health care professionals during the evaluation of and procurement processes for simulators. A tool founded on best practices could facilitate simulator purchase processes. In a 3-phase process, we identified top factors considered during the simulator purchase process through expert consensus (n = 127), created the Simulator Value Index (SVI) tool, evaluated targeted validity evidence, and evaluated the practical value of this SVI. A web-based survey was sent to simulation professionals. Participants (n = 79) used the SVI and provided feedback. We evaluated the practical value of 4 tool variations by calculating their sensitivity to predict a preferred simulator. Seventeen top factors were identified and ranked. The top 2 were technical stability/reliability of the simulator and customer service, with no practical differences in rank across institution or stakeholder role. Full SVI variations predicted successfully the preferred simulator with good (87%) sensitivity, whereas the sensitivity of variations in cost and customer service and cost and technical stability decreased (≤54%). The majority (73%) of participants agreed that the SVI was helpful at guiding simulator purchase decisions, and 88% agreed the SVI tool would help facilitate discussion with peers and leadership. Our findings indicate the SVI supports the process of simulator purchase using a standardized framework. Sensitivity of the tool improved when factors extend beyond traditionally targeted factors. We propose the tool will facilitate discussion amongst simulation professionals dealing with simulation, provide essential information for finance and procurement professionals, and improve the long-term value of simulation solutions. Limitations and application of the tool are discussed. Copyright © 2017 Elsevier Inc. All rights reserved.

Conceptualization of preferential flow for hillslope stability assessment

NASA Astrophysics Data System (ADS)

Kukemilks, Karlis; Wagner, Jean-Frank; Saks, Tomas; Brunner, Philip

2018-03-01

This study uses two approaches to conceptualize preferential flow with the goal to investigate their influence on hillslope stability. Synthetic three-dimensional hydrogeological models using dual-permeability and discrete-fracture conceptualization were subsequently integrated into slope stability simulations. The slope stability simulations reveal significant differences in slope stability depending on the preferential flow conceptualization applied, despite similar small-scale hydrogeological responses of the system. This can be explained by a local-scale increase of pore-water pressures observed in the scenario with discrete fractures. The study illustrates the critical importance of correctly conceptualizing preferential flow for slope stability simulations. It further demonstrates that the combination of the latest generation of physically based hydrogeological models with slope stability simulations allows for improvement to current modeling approaches through more complex consideration of preferential flow paths.

Redundant actuator development study. [flight control systems for supersonic transport aircraft

NASA Technical Reports Server (NTRS)

Ryder, D. R.

1973-01-01

Current and past supersonic transport configurations are reviewed to assess redundancy requirements for future airplane control systems. Secondary actuators used in stability augmentation systems will probably be the most critical actuator application and require the highest level of redundancy. Two methods of actuator redundancy mechanization have been recommended for further study. Math models of the recommended systems have been developed for use in future computer simulations. A long range plan has been formulated for actuator hardware development and testing in conjunction with the NASA Flight Simulator for Advanced Aircraft.

Fuzzy PID control algorithm based on PSO and application in BLDC motor

NASA Astrophysics Data System (ADS)

Lin, Sen; Wang, Guanglong

2017-06-01

A fuzzy PID control algorithm is studied based on improved particle swarm optimization (PSO) to perform Brushless DC (BLDC) motor control which has high accuracy, good anti-jamming capability and steady state accuracy compared with traditional PID control. The mathematical and simulation model is established for BLDC motor by simulink software, and the speed loop of the fuzzy PID controller is designed. The simulation results show that the fuzzy PID control algorithm based on PSO has higher stability, high control precision and faster dynamic response speed.

Simulation of economic agents interaction in a trade chain

NASA Astrophysics Data System (ADS)

Gimanova, I. A.; Dulesov, A. S.; Litvin, N. V.

2017-01-01

The mathematical model of economic agents interaction is offered in the work. It allowsconsidering the change of price and sales volumesin dynamics according to the process of purchase and sale in the single-product market of the trade and intermediary network. The description of data-flow processes is based on the use of the continuous dynamic market model. The application of ordinary differential equations during the simulation allows one to define areas of coefficients - characteristics of agents - and to investigate their interaction in a chain on stability.

Periodic sequence of stabilized wave segments in an excitable medium

NASA Astrophysics Data System (ADS)

Zykov, V. S.; Bodenschatz, E.

2018-03-01

Numerical computations show that a stabilization of a periodic sequence of wave segments propagating through an excitable medium is possible only in a restricted domain within the parameter space. By application of a free-boundary approach, we demonstrate that at the boundary of this domain the parameter H introduced in our Rapid Communication is constant. We show also that the discovered parameter predetermines the propagation velocity and the shape of the wave segments. The predictions of the free-boundary approach are in good quantitative agreement with results from numerical reaction-diffusion simulations performed on the modified FitzHugh-Nagumo model.

Application of a repetitive process setting to design of monotonically convergent iterative learning control

NASA Astrophysics Data System (ADS)

Boski, Marcin; Paszke, Wojciech

2015-11-01

This paper deals with the problem of designing an iterative learning control algorithm for discrete linear systems using repetitive process stability theory. The resulting design produces a stabilizing output feedback controller in the time domain and a feedforward controller that guarantees monotonic convergence in the trial-to-trial domain. The results are also extended to limited frequency range design specification. New design procedure is introduced in terms of linear matrix inequality (LMI) representations, which guarantee the prescribed performances of ILC scheme. A simulation example is given to illustrate the theoretical developments.

A study of aeroelastic and structural dynamic effects in multi-rotor systems with application to hybrid heavy lift vehicles

NASA Technical Reports Server (NTRS)

Friedmann, P. P.

1984-01-01

An aeroelastic model suitable for the study of aeroelastic and structural dynamic effects in multirotor vehicles simulating a hybrid heavy lift vehicle was developed and applied to the study of a number of diverse problems. The analytical model developed proved capable of modeling a number of aeroelastic problems, namely: (1) isolated blade aeroelastic stability in hover and forward flight, (2) coupled rotor/fuselage aeromechanical problem in air or ground resonance, (3) tandem rotor coupled rotor/fuselage problems, and (4) the aeromechanical stability of a multirotor vehicle model representing a hybrid heavy lift airship (HHLA). The model was used to simulate the ground resonance boundaries of a three bladed hingeless rotor model, including the effect of aerodynamic loads, and the theoretical predictions compared well with experimental results. Subsequently the model was used to study the aeromechanical stability of a vehicle representing a hybrid heavy lift airship, and potential instabilities which could occur for this type of vehicle were identified. The coupling between various blade, supporting structure and rigid body modes was identified.

Trehalose radial networks protect Renilla luciferase helical layers against thermal inactivation.

PubMed

Liyaghatdar, Zahra; Emamzadeh, Rahman; Rasa, Sayed Mohammad Mahdi; Nazari, Mahboobeh

2017-12-01

Renilla luciferase (Rluc) from Renilla reniformis is an appropriate protein reporter for the detection of specific molecular targets due to its bioluminescent feature, although its relatively low stability limits the application. To investigate the effects of trehalose and sucrose as chemical chaperones on the kinetic stability of Rluc, we assayed the activity of the enzyme in the presence of these additives at high temperatures and to comprehend the mechanism of stability, molecular dynamic (MD) simulation was carried out. In the presence of trehalose a thermostabilizing effect which was considerable in comparison with other systems was observed. It is proposed that a wide radial like network of trehalose molecules supports α-helix structures that are located in the N-terminus and C-terminus of the protein. However, in the water simulation box, these helices alter to instable structures at high temperatures. Reduction of the fluctuation of these helices in the presence of trehalose molecules, may prevent the protein from unfolding and increase its shelf life. Copyright © 2017 Elsevier B.V. All rights reserved.

Stability and bias of classification rates in biological applications of discriminant analysis

USGS Publications Warehouse

Williams, B.K.; Titus, K.; Hines, J.E.

1990-01-01

We assessed the sampling stability of classification rates in discriminant analysis by using a factorial design with factors for multivariate dimensionality, dispersion structure, configuration of group means, and sample size. A total of 32,400 discriminant analyses were conducted, based on data from simulated populations with appropriate underlying statistical distributions. Simulation results indicated strong bias in correct classification rates when group sample sizes were small and when overlap among groups was high. We also found that stability of the correct classification rates was influenced by these factors, indicating that the number of samples required for a given level of precision increases with the amount of overlap among groups. In a review of 60 published studies, we found that 57% of the articles presented results on classification rates, though few of them mentioned potential biases in their results. Wildlife researchers should choose the total number of samples per group to be at least 2 times the number of variables to be measured when overlap among groups is low. Substantially more samples are required as the overlap among groups increases

Simulation and stability analysis of supersonic impinging jet noise with microjet control

NASA Astrophysics Data System (ADS)

Hildebrand, Nathaniel; Nichols, Joseph W.

2014-11-01

A model for an ideally expanded 1.5 Mach turbulent jet impinging on a flat plate using unstructured high-fidelity large eddy simulations (LES) and hydrodynamic stability analysis is presented. Note the LES configuration conforms exactly to experiments performed at the STOVL supersonic jet facility of the Florida Center for Advanced Aero-Propulsion allowing validation against experimental measurements. The LES are repeated for different nozzle-wall separation distances as well as with and without the addition of sixteen microjets positioned uniformly around the nozzle lip. For some nozzle-wall distances, but not all, the microjets result in substantial noise reduction. Observations of substantial noise reduction are associated with a relative absence of large-scale coherent vortices in the jet shear layer. To better understand and predict the effectiveness of microjet noise control, the application of global stability analysis about LES mean fields is used to extract axisymmetric and helical instability modes connected to the complex interplay between the coherent vortices, shocks, and acoustic feedback. We gratefully acknowledge computational resources provided by the Argonne Leadership Computing Facility.

Numerical simulation of two-dimensional heat transfer in composite bodies with application to de-icing of aircraft components. Ph.D. Thesis. Final Report

NASA Technical Reports Server (NTRS)

Chao, D. F. K.

1983-01-01

Transient, numerical simulations of the de-icing of composite aircraft components by electrothermal heating were performed for a two dimensional rectangular geometry. The implicit Crank-Nicolson formulation was used to insure stability of the finite-difference heat conduction equations and the phase change in the ice layer was simulated using the Enthalpy method. The Gauss-Seidel point iterative method was used to solve the system of difference equations. Numerical solutions illustrating de-icer performance for various composite aircraft structures and environmental conditions are presented. Comparisons are made with previous studies. The simulation can also be used to solve a variety of other heat conduction problems involving composite bodies.

Comparison of Numerical Modeling Methods for Soil Vibration Cutting

NASA Astrophysics Data System (ADS)

Jiang, Jiandong; Zhang, Enguang

2018-01-01

In this paper, we studied the appropriate numerical simulation method for vibration soil cutting. Three numerical simulation methods, commonly used for uniform speed soil cutting, Lagrange, ALE and DEM, are analyzed. Three models of vibration soil cutting simulation model are established by using ls-dyna.The applicability of the three methods to this problem is analyzed in combination with the model mechanism and simulation results. Both the Lagrange method and the DEM method can show the force oscillation of the tool and the large deformation of the soil in the vibration cutting. Lagrange method shows better effect of soil debris breaking. Because of the poor stability of ALE method, it is not suitable to use soil vibration cutting problem.

Application of mesoscale simulation to explore the aggregate morphology of pH-sensitive nanoparticles used as the oral drug delivery carriers under different conditions.

PubMed

Wang, Yan; Chen, Bo Zhi; Liu, Yue Jin; Wu, Zhi Min; Guo, Xin Dong

2017-03-01

The pH-sensitive nanoparticles are selected as the potentially promising oral protein and peptide drug carriers due to their excellent performance. With the poly (lactic-co-glycolic acid)/hydroxypropyl methylcellulose phthalate (PLGA/HP55) nanoparticle as a model nanoparticle, the structure-property relationship of nanoparticles with different conditions is investigated by dissipative particle dynamics (DPD) simulations in our work. In the oral drug delivery system, the poly (lactic-co-glycolic acid) (PLGA) is hydrophobic polymer, hydroxypropyl methylcellulose phthalate (HP55) is pH-sensitive enteric polymer which used to protect the nanoparticles through the stomach and polyvinyl alcohol (PVA) is hydrophilic polymer as the stabilizer. It can be seen from DPD simulations that all polymer molecules form spherical core-shell nanoparticles with stabilizer PVA molecules adsorbed on the outer surface of the PLGA/HP55 matrix at certain compositions. The DPD simulation study can provide microscopic insight into the formation and morphological changes of pH-sensitive nanoparticles which is useful for the design of new materials for high-efficacy oral drug delivery. Copyright © 2016 Elsevier B.V. All rights reserved.

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

Floquet stability analysis of the longitudinal dynamics of two hovering model insects

PubMed Central

Wu, Jiang Hao; Sun, Mao

2012-01-01

Because of the periodically varying aerodynamic and inertial forces of the flapping wings, a hovering or constant-speed flying insect is a cyclically forcing system, and, generally, the flight is not in a fixed-point equilibrium, but in a cyclic-motion equilibrium. Current stability theory of insect flight is based on the averaged model and treats the flight as a fixed-point equilibrium. In the present study, we treated the flight as a cyclic-motion equilibrium and used the Floquet theory to analyse the longitudinal stability of insect flight. Two hovering model insects were considered—a dronefly and a hawkmoth. The former had relatively high wingbeat frequency and small wing-mass to body-mass ratio, and hence very small amplitude of body oscillation; while the latter had relatively low wingbeat frequency and large wing-mass to body-mass ratio, and hence relatively large amplitude of body oscillation. For comparison, analysis using the averaged-model theory (fixed-point stability analysis) was also made. Results of both the cyclic-motion stability analysis and the fixed-point stability analysis were tested by numerical simulation using complete equations of motion coupled with the Navier–Stokes equations. The Floquet theory (cyclic-motion stability analysis) agreed well with the simulation for both the model dronefly and the model hawkmoth; but the averaged-model theory gave good results only for the dronefly. Thus, for an insect with relatively large body oscillation at wingbeat frequency, cyclic-motion stability analysis is required, and for their control analysis, the existing well-developed control theories for systems of fixed-point equilibrium are no longer applicable and new methods that take the cyclic variation of the flight dynamics into account are needed. PMID:22491980

Understanding glass formation and ion transport in polymeric ionic liquids using computer simulations

NASA Astrophysics Data System (ADS)

Patra, Tarak; Yang, Junhong; Cheng, Yiz; Simmons, David

Polymeric ionic liquids (PILs) are very promising materials to enable more environmentally stable high density energy storage devices. Realization of PILs providing high environmental and mechanical stability while maximizing ion conductivity would be accelerated by an improved molecular level understanding of their structure and dynamics. Extensive evidence suggests that both mechanical properties and ion conductivity in anhydrous PILs are intimately related to the PIL's glass formation behavior. This represents a major challenge to the rational design of these materials, given that the basic nature of glass formation and its connection to molecular properties remains a substantial open question in polymer and condensed matter physics. Here we describe coarse-grained and atomistic molecular dynamics simulations probing the relationship between PIL architecture and interactions, glass formation behavior, and ion transport characteristics. These studies provide guidance towards the design of PILs with improved stability and ion conductivity for future energy applications.

Three-axis attitude determination via Kalman filtering of magnetometer data

NASA Technical Reports Server (NTRS)

Martel, Francois; Pal, Parimal K.; Psiaki, Mark L.

1988-01-01

A three-axis Magnetometer/Kalman Filter attitude determination system for a spacecraft in low-altitude Earth orbit is developed, analyzed, and simulation tested. The motivation for developing this system is to achieve light weight and low cost for an attitude determination system. The extended Kalman filter estimates the attitude, attitude rates, and constant disturbance torques. Accuracy near that of the International Geomagnetic Reference Field model is achieved. Covariance computation and simulation testing demonstrate the filter's accuracy. One test case, a gravity-gradient stabilized spacecraft with a pitch momentum wheel and a magnetically-anchored damper, is a real satellite on which this attitude determination system will be used. The application to a nadir pointing satellite and the estimation of disturbance torques represent the significant extensions contributed by this paper. Beyond its usefulness purely for attitude determination, this system could be used as part of a low-cost three-axis attitude stabilization system.

Projection methods for incompressible flow problems with WENO finite difference schemes

NASA Astrophysics Data System (ADS)

de Frutos, Javier; John, Volker; Novo, Julia

2016-03-01

Weighted essentially non-oscillatory (WENO) finite difference schemes have been recommended in a competitive study of discretizations for scalar evolutionary convection-diffusion equations [20]. This paper explores the applicability of these schemes for the simulation of incompressible flows. To this end, WENO schemes are used in several non-incremental and incremental projection methods for the incompressible Navier-Stokes equations. Velocity and pressure are discretized on the same grid. A pressure stabilization Petrov-Galerkin (PSPG) type of stabilization is introduced in the incremental schemes to account for the violation of the discrete inf-sup condition. Algorithmic aspects of the proposed schemes are discussed. The schemes are studied on several examples with different features. It is shown that the WENO finite difference idea can be transferred to the simulation of incompressible flows. Some shortcomings of the methods, which are due to the splitting in projection schemes, become also obvious.

Insights into the structural features and stability of peptide nucleic acid with a D-prolyl-2-aminocyclopentane carboxylic acid backbone that binds to DNA and RNA.

PubMed

Poomsuk, Nattawee; Vilaivan, Tirayut; Siriwong, Khatcharin

2018-06-12

Peptide nucleic acid (PNA) is a powerful biomolecule with a wide variety of important applications. In this work, the molecular structures and binding affinity of PNA with a D-prolyl-2-aminocyclopentane carboxylic acid backbone (acpcPNA) that binds to both DNA and RNA were studied using molecular dynamics simulations. The simulated structures of acpcPNA-DNA and acpcPNA-RNA duplexes more closely resembled the typical structures of B-DNA and A-RNA than the corresponding duplexes of aegPNA. The calculated binding free energies are in good agreement with the experimental results that the acpcPNA-DNA duplex is more stable than the acpcPNA-RNA duplex regardless of the base sequences. The results provide further insights in the relationship between structure and stability of this unique PNA system. Copyright © 2018 Elsevier Inc. All rights reserved.

Analyzing Small Signal Stability of Power System based on Online Data by Use of SMES

NASA Astrophysics Data System (ADS)

Ishikawa, Hiroyuki; Shirai, Yasuyuki; Nitta, Tanzo; Shibata, Katsuhiko

The purpose of this study is to estimate eigen-values and eigen-vectors of a power system from on-line data to evaluate the power system stability. Power system responses due to the small power modulation of known pattern from SMES (Superconducting Magnetic Energy Storage) were analyzed, and the transfer functions between the power modulation and power oscillations of generators were obtained. Eigen-values and eigen-vectors were estimated from the transfer functions. Experiments were carried out by use of a model SMES and Advanced Power System Analyzer (APSA), which is an analogue type power system simulator of Kansai Electric Power Company Inc., Japan. Changes in system condition were observed by the estimated eigen-values and eigen-vectors. Result agreed well with the resent report and digital simulation. This method gives a new application for SMES, which will be installed for improving electric power quality.

Nonlinear Delta-f Simulations of Collective Effects in Intense Charged Particle Beams

NASA Astrophysics Data System (ADS)

Qin, Hong

2002-11-01

A nonlinear delta-f particle simulation method based on the Vlasov-Maxwell equations has been recently developed to study collective processes in high-intensity beams, where space-charge and magnetic self-field effects play a critical role in determining the nonlinear beam dynamics. Implemented in the Beam Equilibrium, Stability and Transport (BEST) code, the nonlinear delta-f method provides a low-noise and self-consistent tool for simulating collective interactions and nonlinear dynamics of high-intensity beams in modern and next- generation accelerators and storage rings, such as the Spallation Neutron Source, and heavy ion fusion drivers. Simulation results for the electron-proton two-stream instability in the Proton Storage Ring (PSR) experiment at Los Alamos National Laboratory agree well with experimental observations. Large-scale parallel simulations have also been carried out for the ion-electron two-stream instability in the very high-intensity heavy ion beams envisioned for heavy ion fusion applications. In both cases, the simulation results indicate that the dominant two-stream instability has a dipole-mode (hose-like) structure and can be stabilized by a modest axial momentum spread of the beam particles of less than 0.25collective processes in high-intensity beams, such as anisotropy-driven instabilities, collective eigenmode excitations for perturbations about stable beam equilibria, and the Darwin model for fully electromagnetic perturbations will also be discussed.

Tailored Excitation for Multivariable Stability-Margin Measurement Applied to the X-31A Nonlinear Simulation

NASA Technical Reports Server (NTRS)

Bosworth, John T.; Burken, John J.

1997-01-01

Safety and productivity of the initial flight test phase of a new vehicle have been enhanced by developing the ability to measure the stability margins of the combined control system and vehicle in flight. One shortcoming of performing this analysis is the long duration of the excitation signal required to provide results over a wide frequency range. For flight regimes such as high angle of attack or hypersonic flight, the ability to maintain flight condition for this time duration is difficult. Significantly reducing the required duration of the excitation input is possible by tailoring the input to excite only the frequency range where the lowest stability margin is expected. For a multiple-input/multiple-output system, the inputs can be simultaneously applied to the control effectors by creating each excitation input with a unique set of frequency components. Chirp-Z transformation algorithms can be used to match the analysis of the results to the specific frequencies used in the excitation input. This report discusses the application of a tailored excitation input to a high-fidelity X-31A linear model and nonlinear simulation. Depending on the frequency range, the results indicate the potential to significantly reduce the time required for stability measurement.

Control of Current Profile and Instability by Radiofrequency Wave Injection in JT-60U and Its Applicability in JT-60SA

NASA Astrophysics Data System (ADS)

Isayama, A.; Suzuki, T.; Hayashi, N.; Ide, S.; Hamamatsu, K.; Fujita, T.; Hosoyama, H.; Kamada, Y.; Nagasaki, K.; Oyama, N.; Ozeki, T.; Sakata, S.; Seki, M.; Sueoka, M.; Takechi, M.; Urano, H.

2007-09-01

Recent results of control of current profile and instability using radiofrequency wave in JT-60U and prediction analysis in JT-60SA are descried. In JT-60U, control of current profile in high-beta regime was demonstrated by using a real-time system, where the motional Stark effect diagnostic and lower hybrid wave were used as a detector and actuator, respectively. The minimum value of the safety factor was raised from 1.3 to 1.7 so as to follow the commanded value. Complete stabilization of a neoclassical tearing mode (NTM) with the poloidal mode number m = 2 and the toroidal mode number n = 1 was demonstrated using electron cyclotron (EC) current drive. By scanning the location of EC current drive in detail, strong stabilization effect was found for misalignment less than about half of the full island width. In addition, destabilization of the 2/1 NTM was observed for misalignment comparable to the full island width. Simulation of NTM stabilization in JT-60SA was performed by using the TOPICS code combined with the modified Rutherford equation. The TOPICS simulation showed that complete stabilization can be achieved more effectively by optimizing the EC wave injection angle and modulating the EC wave.

Control of Current Profile and Instability by Radiofrequency Wave Injection in JT-60U and Its Applicability in JT-60SA

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

Isayama, A.; Suzuki, T.; Hayashi, N.

2007-09-28

Recent results of control of current profile and instability using radiofrequency wave in JT-60U and prediction analysis in JT-60SA are descried. In JT-60U, control of current profile in high-beta regime was demonstrated by using a real-time system, where the motional Stark effect diagnostic and lower hybrid wave were used as a detector and actuator, respectively. The minimum value of the safety factor was raised from 1.3 to 1.7 so as to follow the commanded value. Complete stabilization of a neoclassical tearing mode (NTM) with the poloidal mode number m = 2 and the toroidal mode number n = 1 wasmore » demonstrated using electron cyclotron (EC) current drive. By scanning the location of EC current drive in detail, strong stabilization effect was found for misalignment less than about half of the full island width. In addition, destabilization of the 2/1 NTM was observed for misalignment comparable to the full island width. Simulation of NTM stabilization in JT-60SA was performed by using the TOPICS code combined with the modified Rutherford equation. The TOPICS simulation showed that complete stabilization can be achieved more effectively by optimizing the EC wave injection angle and modulating the EC wave.« less

Stability of the discretization of the electron avalanche phenomenon

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

Villa, Andrea, E-mail: andrea.villa@rse-web.it; Barbieri, Luca, E-mail: luca.barbieri@rse-web.it; Gondola, Marco, E-mail: marco.gondola@rse-web.it

2015-09-01

The numerical simulation of the discharge inception is an active field of applied physics with many industrial applications. In this work we focus on the drift-reaction equation that describes the electron avalanche. This phenomenon is one of the basic building blocks of the streamer model. The main difficulty of the electron avalanche equation lies in the fact that the reaction term is positive when a high electric field is applied. It leads to exponentially growing solutions and this has a major impact on the behavior of numerical schemes. We analyze the stability of a reference finite volume scheme applied tomore » this latter problem. The stability of the method may impose a strict mesh spacing, therefore a proper stabilized scheme, which is stable whatever spacing is used, has been developed. The convergence of the scheme is treated as well as some numerical experiments.« less

Enhanced Mechanical Stability of Gold Nanotips through Carbon Nanocone Encapsulation

PubMed Central

Cano-Marquez, Abraham G.; Schmidt, Wesller G.; Ribeiro-Soares, Jenaina; Gustavo Cançado, Luiz; Rodrigues, Wagner N.; Santos, Adelina P.; Furtado, Clascidia A.; Autreto, Pedro A.S.; Paupitz, Ricardo; Galvão, Douglas S.; Jorio, Ado

2015-01-01

Gold is a noble metal that, in comparison with silver and copper, has the advantage of corrosion resistance. Despite its high conductivity, chemical stability and biocompatibility, gold exhibits high plasticity, which limits its applications in some nanodevices. Here, we report an experimental and theoretical study on how to attain enhanced mechanical stability of gold nanotips. The gold tips were fabricated by chemical etching and further encapsulated with carbon nanocones via nanomanipulation. Atomic force microscopy experiments were carried out to test their mechanical stability. Molecular dynamics simulations show that the encapsulated nanocone changes the strain release mechanisms at the nanoscale by blocking gold atomic sliding, redistributing the strain along the whole nanostructure. The carbon nanocones are conducting and can induce magnetism, thus opening new avenues on the exploitation of transport, mechanical and magnetic properties of gold covered by sp2 carbon at the nanoscale. PMID:26083864

Predicting stability of alpha-helical, orthogonal-bundle proteins on surfaces

NASA Astrophysics Data System (ADS)

Wei, Shuai; Knotts, Thomas A.

2010-09-01

The interaction of proteins with surfaces is a key phenomenon in many applications, but current understanding of the biophysics involved is lacking. At present, rational design of such emerging technologies is difficult as no methods or theories exist that correctly predict how surfaces influence protein behavior. Using molecular simulation and a coarse-grain model, this study illustrates for the first time that stability of proteins on surfaces can be correlated with tertiary structural elements for alpha-helical, orthogonal-bundle proteins. Results show that several factors contribute to stability on surfaces including the nature of the loop region where the tether is placed and the ability of the protein to freely rotate on the surface. A thermodynamic analysis demonstrates that surfaces stabilize proteins entropically and that any destabilization is an enthalpic effect. Moreover, the entropic effects are concentrated on the unfolded state of the protein while the ethalpic effects are focused on the folded state.

A neural network controller of a flotation process

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

Durao, F.; Cortez, L.

1995-12-31

The dynamic control of a froth flotation section is simulated through a neural network feedback controller, trained in order to stabilize the concentrate metal grade and recovery by applying random step changes to the feed metal grade. The results of the application example show that this controller seems to be sufficiently robust and a good alternative to handle a non-linear process.

Development of adaptive control applied to chaotic systems

NASA Astrophysics Data System (ADS)

Rhode, Martin Andreas

1997-12-01

Continuous-time derivative control and adaptive map-based recursive feedback control techniques are used to control chaos in a variety of systems and in situations that are of practical interest. The theoretical part of the research includes the review of fundamental concept of control theory in the context of its applications to deterministic chaotic systems, the development of a new adaptive algorithm to identify the linear system properties necessary for control, and the extension of the recursive proportional feedback control technique, RPF, to high dimensional systems. Chaos control was applied to models of a thermal pulsed combustor, electro-chemical dissolution and the hyperchaotic Rossler system. Important implications for combustion engineering were suggested by successful control of the model of the thermal pulsed combustor. The system was automatically tracked while maintaining control into regions of parameter and state space where no stable attractors exist. In a simulation of the electrochemical dissolution system, application of derivative control to stabilize a steady state, and adaptive RPF to stabilize a period one orbit, was demonstrated. The high dimensional adaptive control algorithm was applied in a simulation using the Rossler hyperchaotic system, where a period-two orbit with two unstable directions was stabilized and tracked over a wide range of a system parameter. In the experimental part, the electrochemical system was studied in parameter space, by scanning the applied potential and the frequency of the rotating copper disk. The automated control algorithm is demonstrated to be effective when applied to stabilize a period-one orbit in the experiment. We show the necessity of small random perturbations applied to the system in order to both learn the dynamics and control the system at the same time. The simultaneous learning and control capability is shown to be an important part of the active feedback control.

Coexistence and local μ-stability of multiple equilibrium points for memristive neural networks with nonmonotonic piecewise linear activation functions and unbounded time-varying delays.

PubMed

Nie, Xiaobing; Zheng, Wei Xing; Cao, Jinde

2016-12-01

In this paper, the coexistence and dynamical behaviors of multiple equilibrium points are discussed for a class of memristive neural networks (MNNs) with unbounded time-varying delays and nonmonotonic piecewise linear activation functions. By means of the fixed point theorem, nonsmooth analysis theory and rigorous mathematical analysis, it is proven that under some conditions, such n-neuron MNNs can have 5 n equilibrium points located in ℜ n , and 3 n of them are locally μ-stable. As a direct application, some criteria are also obtained on the multiple exponential stability, multiple power stability, multiple log-stability and multiple log-log-stability. All these results reveal that the addressed neural networks with activation functions introduced in this paper can generate greater storage capacity than the ones with Mexican-hat-type activation function. Numerical simulations are presented to substantiate the theoretical results. Copyright © 2016 Elsevier Ltd. All rights reserved.

Stability switches of arbitrary high-order consensus in multiagent networks with time delays.

PubMed

Yang, Bo

2013-01-01

High-order consensus seeking, in which individual high-order dynamic agents share a consistent view of the objectives and the world in a distributed manner, finds its potential broad applications in the field of cooperative control. This paper presents stability switches analysis of arbitrary high-order consensus in multiagent networks with time delays. By employing a frequency domain method, we explicitly derive analytical equations that clarify a rigorous connection between the stability of general high-order consensus and the system parameters such as the network topology, communication time-delays, and feedback gains. Particularly, our results provide a general and a fairly precise notion of how increasing communication time-delay causes the stability switches of consensus. Furthermore, under communication constraints, the stability and robustness problems of consensus algorithms up to third order are discussed in details to illustrate our central results. Numerical examples and simulation results for fourth-order consensus are provided to demonstrate the effectiveness of our theoretical results.

Free energy of RNA-counterion interactions in a tight-binding model computed by a discrete space mapping

NASA Astrophysics Data System (ADS)

Henke, Paul S.; Mak, Chi H.

2014-08-01

The thermodynamic stability of a folded RNA is intricately tied to the counterions and the free energy of this interaction must be accounted for in any realistic RNA simulations. Extending a tight-binding model published previously, in this paper we investigate the fundamental structure of charges arising from the interaction between small functional RNA molecules and divalent ions such as Mg2+ that are especially conducive to stabilizing folded conformations. The characteristic nature of these charges is utilized to construct a discretely connected energy landscape that is then traversed via a novel application of a deterministic graph search technique. This search method can be incorporated into larger simulations of small RNA molecules and provides a fast and accurate way to calculate the free energy arising from the interactions between an RNA and divalent counterions. The utility of this algorithm is demonstrated within a fully atomistic Monte Carlo simulation of the P4-P6 domain of the Tetrahymena group I intron, in which it is shown that the counterion-mediated free energy conclusively directs folding into a compact structure.

Free energy of RNA-counterion interactions in a tight-binding model computed by a discrete space mapping.

PubMed

Henke, Paul S; Mak, Chi H

2014-08-14

The thermodynamic stability of a folded RNA is intricately tied to the counterions and the free energy of this interaction must be accounted for in any realistic RNA simulations. Extending a tight-binding model published previously, in this paper we investigate the fundamental structure of charges arising from the interaction between small functional RNA molecules and divalent ions such as Mg(2+) that are especially conducive to stabilizing folded conformations. The characteristic nature of these charges is utilized to construct a discretely connected energy landscape that is then traversed via a novel application of a deterministic graph search technique. This search method can be incorporated into larger simulations of small RNA molecules and provides a fast and accurate way to calculate the free energy arising from the interactions between an RNA and divalent counterions. The utility of this algorithm is demonstrated within a fully atomistic Monte Carlo simulation of the P4-P6 domain of the Tetrahymena group I intron, in which it is shown that the counterion-mediated free energy conclusively directs folding into a compact structure.

An Assessment of Molecular Dynamic Force Fields for Silica for Use in Simulating Laser Damage Mitigation

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

Soules, T F; Gilmer, G H; Matthews, M J

2010-10-21

We compare force fields (FF's) that have been used in molecular dynamic (MD) simulations of silica in order to assess their applicability for use in simulating IR-laser damage mitigation. Although pairwise FF?s obtained by fitting quantum mechanical calculations such as the BKS and CHIK potentials have been shown to reproduce many of the properties of silica including the stability of silica polymorphs and the densification of the liquid, we show that melting temperatures and fictive temperatures are much too high. Softer empirical force fields give liquid and glass properties at experimental temperatures but may not predict all properties important tomore » laser mitigation experiments.« less

Study of the effect of static/dynamic Coulomb friction variation at the tape-head interface of a spacecraft tape recorder by non-linear time response simulation

NASA Technical Reports Server (NTRS)

Mukhopadhyay, A. K.

1978-01-01

A description is presented of six simulation cases investigating the effect of the variation of static-dynamic Coulomb friction on servo system stability/performance. The upper and lower levels of dynamic Coulomb friction which allowed operation within requirements were determined roughly to be three times and 50% respectively of nominal values considered in a table. A useful application for the nonlinear time response simulation is the sensitivity analysis of final hardware design with respect to such system parameters as cannot be varied realistically or easily in the actual hardware. Parameters of the static/dynamic Coulomb friction fall in this category.

Building energy simulation coupled with CFD for indoor environment: A critical review and recent applications

DOE PAGES

Tian, Wei; Han, Xu; Zuo, Wangda; ...

2018-01-31

This paper presents a comprehensive review of the open literature on motivations, methods and applications of linking stratified airflow simulation to building energy simulation (BES). First, we reviewed the motivations for coupling prediction models for building energy and indoor environment. This review classified various exchanged data in different applications as interface data and state data, and found that choosing different data sets may lead to varying performance of stability, convergence, and speed for the co-simulation. Second, our review shows that an external coupling scheme is substantially more popular in implementations of co-simulation than an internal coupling scheme. The external couplingmore » is shown to be generally faster in computational speed, as well as easier to implement, maintain and expand than the internal coupling. Third, the external coupling can be carried out in different data synchronization schemes, including static coupling and dynamic coupling. In comparison, the static coupling that performs data exchange only once is computationally faster and more stable than the dynamic coupling. However, concerning accuracy, the dynamic coupling that requires multiple times of data exchange is more accurate than the static coupling. Furthermore, the review identified that the implementation of the external coupling can be achieved through customized interfaces, middleware, and standard interfaces. The customized interface is straightforward but may be limited to a specific coupling application. The middleware is versatile and user-friendly but usually limited in data synchronization schemes. The standard interface is versatile and promising, but may be difficult to implement. Current applications of the co-simulation are mainly energy performance evaluation and control studies. Finally, we discussed the limitations of the current research and provided an overview for future research.« less

Building energy simulation coupled with CFD for indoor environment: A critical review and recent applications

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

Tian, Wei; Han, Xu; Zuo, Wangda

This paper presents a comprehensive review of the open literature on motivations, methods and applications of linking stratified airflow simulation to building energy simulation (BES). First, we reviewed the motivations for coupling prediction models for building energy and indoor environment. This review classified various exchanged data in different applications as interface data and state data, and found that choosing different data sets may lead to varying performance of stability, convergence, and speed for the co-simulation. Second, our review shows that an external coupling scheme is substantially more popular in implementations of co-simulation than an internal coupling scheme. The external couplingmore » is shown to be generally faster in computational speed, as well as easier to implement, maintain and expand than the internal coupling. Third, the external coupling can be carried out in different data synchronization schemes, including static coupling and dynamic coupling. In comparison, the static coupling that performs data exchange only once is computationally faster and more stable than the dynamic coupling. However, concerning accuracy, the dynamic coupling that requires multiple times of data exchange is more accurate than the static coupling. Furthermore, the review identified that the implementation of the external coupling can be achieved through customized interfaces, middleware, and standard interfaces. The customized interface is straightforward but may be limited to a specific coupling application. The middleware is versatile and user-friendly but usually limited in data synchronization schemes. The standard interface is versatile and promising, but may be difficult to implement. Current applications of the co-simulation are mainly energy performance evaluation and control studies. Finally, we discussed the limitations of the current research and provided an overview for future research.« less

Deploy production sliding mesh capability with linear solver benchmarking.

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

Domino, Stefan P.; Thomas, Stephen; Barone, Matthew F.

Wind applications require the ability to simulate rotating blades. To support this use-case, a novel design-order sliding mesh algorithm has been developed and deployed. The hybrid method combines the control volume finite element methodology (CVFEM) with concepts found within a discontinuous Galerkin (DG) finite element method (FEM) to manage a sliding mesh. The method has been demonstrated to be design-order for the tested polynomial basis (P=1 and P=2) and has been deployed to provide production simulation capability for a Vestas V27 (225 kW) wind turbine. Other stationary and canonical rotating ow simulations are also presented. As the majority of wind-energymore » applications are driving extensive usage of hybrid meshes, a foundational study that outlines near-wall numerical behavior for a variety of element topologies is presented. Results indicate that the proposed nonlinear stabilization operator (NSO) is an effective stabilization methodology to control Gibbs phenomena at large cell Peclet numbers. The study also provides practical mesh resolution guidelines for future analysis efforts. Application-driven performance and algorithmic improvements have been carried out to increase robustness of the scheme on hybrid production wind energy meshes. Specifically, the Kokkos-based Nalu Kernel construct outlined in the FY17/Q4 ExaWind milestone has been transitioned to the hybrid mesh regime. This code base is exercised within a full V27 production run. Simulation timings for parallel search and custom ghosting are presented. As the low-Mach application space requires implicit matrix solves, the cost of matrix reinitialization has been evaluated on a variety of production meshes. Results indicate that at low element counts, i.e., fewer than 100 million elements, matrix graph initialization and preconditioner setup times are small. However, as mesh sizes increase, e.g., 500 million elements, simulation time associated with \\setup-up" costs can increase to nearly 50% of overall simulation time when using the full Tpetra solver stack and nearly 35% when using a mixed Tpetra- Hypre-based solver stack. The report also highlights the project achievement of surpassing the 1 billion element mesh scale for a production V27 hybrid mesh. A detailed timing breakdown is presented that again suggests work to be done in the setup events associated with the linear system. In order to mitigate these initialization costs, several application paths have been explored, all of which are designed to reduce the frequency of matrix reinitialization. Methods such as removing Jacobian entries on the dynamic matrix columns (in concert with increased inner equation iterations), and lagging of Jacobian entries have reduced setup times at the cost of numerical stability. Artificially increasing, or bloating, the matrix stencil to ensure that full Jacobians are included is developed with results suggesting that this methodology is useful in decreasing reinitialization events without loss of matrix contributions. With the above foundational advances in computational capability, the project is well positioned to begin scientific inquiry on a variety of wind-farm physics such as turbine/turbine wake interactions.« less

Nonlinear Slewing Spacecraft Control Based on Exergy, Power Flow, and Static and Dynamic Stability

NASA Astrophysics Data System (ADS)

Robinett, Rush D.; Wilson, David G.

2009-10-01

This paper presents a new nonlinear control methodology for slewing spacecraft, which provides both necessary and sufficient conditions for stability by identifying the stability boundaries, rigid body modes, and limit cycles. Conservative Hamiltonian system concepts, which are equivalent to static stability of airplanes, are used to find and deal with the static stability boundaries: rigid body modes. The application of exergy and entropy thermodynamic concepts to the work-rate principle provides a natural partitioning through the second law of thermodynamics of power flows into exergy generator, dissipator, and storage for Hamiltonian systems that is employed to find the dynamic stability boundaries: limit cycles. This partitioning process enables the control system designer to directly evaluate and enhance the stability and performance of the system by balancing the power flowing into versus the power dissipated within the system subject to the Hamiltonian surface (power storage). Relationships are developed between exergy, power flow, static and dynamic stability, and Lyapunov analysis. The methodology is demonstrated with two illustrative examples: (1) a nonlinear oscillator with sinusoidal damping and (2) a multi-input-multi-output three-axis slewing spacecraft that employs proportional-integral-derivative tracking control with numerical simulation results.

Piloted simulator evaluation of a relaxed static stability fighter at high angle-of-attack

NASA Technical Reports Server (NTRS)

Lapins, M.; Klein, R. W.; Martorella, R. P.; Cangelosi, J.; Neely, W. R., Jr.

1982-01-01

A piloted simulator evaluation of the stability and control characteristics of a relaxed static stability fighter aircraft was conducted using a differential maneuvering simulator. The primary purpose of the simulation was to evaluate the effectiveness of the limiters in preventing departure from controlled flight. The simulation was conducted in two phases, the first consisting of open-loop point stability evaluations over a range of subsonic flight conditions, the second concentrating on closed-loop tracking of a preprogrammed target in low speed, high angle-of-attack air combat maneuvering. The command limiters were effective in preventing departure from controlled flight while permitting competent levels of sustained maneuvering. Parametric variations during the study included the effects of pitch control power and wing-body static margin. Stability and control issues were clearly shown to impact the configuration design.

Free Energy Minimization by Simulated Annealing with Applications to Lithospheric Slabs and Mantle Plumes

NASA Astrophysics Data System (ADS)

Bina, C. R.

An optimization algorithm based upon the method of simulated annealing is of utility in calculating equilibrium phase assemblages as functions of pressure, temperature, and chemical composi tion. Operating by analogy to the statistical mechanics of the chemical system, it is applicable both to problems of strict chemical equilibrium and to problems involving metastability. The method reproduces known phase diagrams and illustrates the expected thermal deflection of phase transitions in thermal models of subducting lithospheric slabs and buoyant mantle plumes. It reveals temperature-induced changes in phase transition sharpness and the stability of Fe-rich γ phase within an α+γ field in cold slab thermal models, and it suggests that transitions such as the possible breakdown of silicate perovskite to mixed oxides can amplify velocity anomalies.

Resolving phase stability in the Ti-O binary with first-principles statistical mechanics methods

NASA Astrophysics Data System (ADS)

Gunda, N. S. Harsha; Puchala, Brian; Van der Ven, Anton

2018-03-01

The Ti-O system consists of a multitude of stable and metastable oxides that are used in wide ranging applications. In this work we investigate phase stability in the Ti-O binary from first principles. We perform a systematic search for ground state structures as a function of oxygen concentration by considering oxygen-vacancy and/or titanium-vacancy orderings over four parent crystal structures: (i) hcp Ti, (ii) ω -Ti, (iii) rocksalt, and (iv) hcp oxygen containing interstitial titanium. We explore phase stability at finite temperature using cluster expansion Hamiltonians and Monte Carlo simulations. The calculations predict a high oxygen solubility in hcp Ti and the stability of suboxide phases that undergo order-disorder transitions upon heating. Vacancy ordered rocksalt phases are also predicted at low temperature that disorder to form an extended solid solution at high temperatures. Predicted stable and metastable phase diagrams are qualitatively consistent with experimental observations, however, important discrepancies are revealed between first-principles density functional theory predictions of phase stability and the current understanding of phase stability in this system.

Gender difference of ankle stability in the sagittal and frontal planes.

PubMed

Hanzlick, Harrison; Hyunglae Lee

2017-07-01

This paper offers quantification of ankle stability in relation to simulated haptic environments of varying stiffness. This study analyzes the stability trends of male and female subjects independently over a wide range of simulated environments after subjects were exposed to vigorous position perturbation. Ankle stability was quantified for both degrees-of-freedom of the ankle in the sagittal and frontal planes. Subjects' stability consistently decreased when exposed to environments of negative simulated stiffness. In the frontal plane, male and female subjects exhibited nearly identical stability levels. In the sagittal plane, however, male subjects demonstrated marginally more stability than female subjects in environments with negative stiffness. Results of this study are beneficial to understanding situations in which the ankle is likely to lose stability, potentially resulting in injury.

RCP4.5: A Pathway for Stabilization of Radiative Forcing by 2100

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

Thomson, Allison M.; Calvin, Katherine V.; Smith, Steven J.

2011-07-29

Representative Concentration Pathway (RCP) 4.5 is a scenario that stabilizes radiative forcing at 4.5 W m{sup -2} in the year 2100 without ever exceeding that value. Simulated with the Global Change Assessment Model (GCAM), RCP4.5 includes long-term, global emissions of greenhouse gases, short-lived species, and land-use-land-cover in a global economic framework. RCP4.5 was updated from earlier GCAM scenarios to incorporate historical emissions and land cover information common to the RCP process and follows a cost-minimizing pathway to reach the target radiative forcing. The imperative to limit emissions in order to reach this target drives changes in the energy system, includingmore » shifts to electricity, to lower emissions energy technologies and to the deployment of carbon capture and geologic storage technology. In addition, the RCP4.5 emissions price also applies to land use emissions; as a result, forest lands expand from their present day extent. The simulated future emissions and land use were downscaled from the regional simulation to a grid to facilitate transfer to climate models. While there are many alternative pathways to achieve a radiative forcing level of 4.5 W m{sup -2}, the application of the RCP4.5 provides a common platform for climate models to explore the climate system response to stabilizing the anthropogenic components of radiative forcing.« less

Self-Assembly of Phenylalanine Oligopeptides: Insights from Experiments and Simulations

PubMed Central

Tamamis, Phanourios; Adler-Abramovich, Lihi; Reches, Meital; Marshall, Karen; Sikorski, Pawel; Serpell, Louise; Gazit, Ehud; Archontis, Georgios

2009-01-01

Abstract Studies of peptide-based nanostructures provide general insights into biomolecular self-assembly and can lead material engineering toward technological applications. The diphenylalanine peptide (FF) self-assembles into discrete, hollow, well ordered nanotubes, and its derivatives form nanoassemblies of various morphologies. Here we demonstrate for the first time, to our knowledge, the formation of planar nanostructures with β-sheet content by the triphenylalanine peptide (FFF). We characterize these structures using various microscopy and spectroscopy techniques. We also obtain insights into the interactions and structural properties of the FF and FFF nanostructures by 0.4-μs, implicit-solvent, replica-exchange, molecular-dynamics simulations of aqueous FF and FFF solutions. In the simulations the peptides form aggregates, which often contain open or ring-like peptide networks, as well as elementary and network-containing structures with β-sheet characteristics. The networks are stabilized by polar and nonpolar interactions, and by the surrounding aggregate. In particular, the charged termini of neighbor peptides are involved in hydrogen-bonding interactions and their aromatic side chains form “T-shaped” contacts, as in three-dimensional FF crystals. These interactions may assist the FF and FFF self-assembly at the early stage, and may also stabilize the mature nanostructures. The FFF peptides have higher network propensities and increased aggregate stabilities with respect to FF, which can be interpreted energetically. PMID:19527662

Stable adaptive neurocontrollers for spacecraft and space robots

NASA Technical Reports Server (NTRS)

Sanner, Robert M.

1995-01-01

This paper reviews recently developed techniques of adaptive nonlinear control using neural networks, and demonstrates their application to two important practical problems in orbital operations. An adaptive neurocontroller is first developed for spacecraft attitude control applications, and then the same design, slightly modified, is shown to be effective in the control of free-floating orbital manipulators. The algorithms discussed have guaranteed stability and convergence properties, and thus constitute viable alternatives to existing control methodologies. Simulation results are presented demonstrating the performance of each algorithm with representative dynamic models.

Rock Slope Stability Evaluation in a Steep-Walled Canyon: Application to Elevator Construction in the Yunlong River Valley, Enshi, China

NASA Astrophysics Data System (ADS)

Xiao, Lili; Chai, Bo; Yin, Kunlong

2015-09-01

A passenger elevator is to be built on a nearly vertical slope in the National Geological Park in Enshi, Hubei province, China. Three steps comprise the construction: excavating the slope toe for the elevator platform, building the elevator on the platform, and affixing the elevator to the slope using anchors. To evaluate the rock slope stability in the elevator area and the safety of the elevator construction, we applied three techniques: qualitative analysis, formula calculation, and numerical simulation methods, based on field investigation and parameter selection, and considering both wet and dry conditions, pre- and post-construction. Qualitative stability factors for sliding and falling were calculated using the limit equilibrium method; the results show that the slope as a whole is stable, with a few unstable blocks, notably block BT1. Formula-based stability factors were calculated for four sections on block BT1, revealing the following: anchors will decrease the stability of certain rock pieces; the lowest average stability factor after anchoring will be K f = 1.36 in wet conditions; block BT1 should be reinforced during elevator construction, up to a first-class slope stability factor of K f = 1.40; and the slope as a whole is stable. Numerical simulation using FLAC3D indicated that the stress distribution will reach equilibrium for all steps before and after construction, and that the factor of safety (FOS) is within the general slope safety range (FOS > 1.05). We suggest that unstable pieces in block BT1 be reinforced during construction to a first-class slope safety range (FOS > 1.3), and that deformation monitoring on the slope surface be implemented.

Streakline-based closed-loop control of a bluff body flow

NASA Astrophysics Data System (ADS)

Roca, Pablo; Cammilleri, Ada; Duriez, Thomas; Mathelin, Lionel; Artana, Guillermo

2014-04-01

A novel closed-loop control methodology is introduced to stabilize a cylinder wake flow based on images of streaklines. Passive scalar tracers are injected upstream the cylinder and their concentration is monitored downstream at certain image sectors of the wake. An AutoRegressive with eXogenous inputs mathematical model is built from these images and a Generalized Predictive Controller algorithm is used to compute the actuation required to stabilize the wake by adding momentum tangentially to the cylinder wall through plasma actuators. The methodology is new and has real-world applications. It is demonstrated on a numerical simulation and the provided results show that good performances are achieved.

Understanding ethylammonium nitrate stabilized cytochrome c - Molecular dynamics and experimental approach

NASA Astrophysics Data System (ADS)

Jaganathan, Maheshkumar; Ramakrishnan, C.; Velmurugan, D.; Dhathathreyan, Aruna

2015-02-01

For a conceptual understanding of how an ionic liquid stabilizes a solvated protein, in this study, using new force field parameters, a molecular dynamics simulation (MDS) of the loop and helical regions of hydrated Cytochrome c (cyt c) and its interaction with the ionic liquid ethylammonium nitrate (EAN) have been studied. For a simulation trajectory of 100 ns, the changes in network of water around the protein due to EAN and subsequent reorganization of the protein have been analyzed. The radii of gyration of solvated cyt c (13.7 Å) and cyt c + EAN (13.4 Å) at the end of the trajectory are higher than the protein in its crystalline state (12.64 Å) suggesting enhanced stability of the protein due to tightly organized assembly of EAN near the solvated cyt c. This increase in stability of the protein has been verified experimentally using fluorescence, circular dichroic spectroscopy and differential scanning calorimetry. With increasing EAN in cyt c + EAN, protein conformation shows unusually high β strand population. To check whether the beta strand is an intermediate or a local minimum state, denaturation of cyt c with urea in the presence of EAN has been undertaken. Results show that EAN helps in renaturation of the protein by forming a tightly organized assembly around the protein with the beta strand state appearing as a local minimum energy state. Thus the feasibility of using ionic liquids to form networks around the protein and their possible applications in stabilization of the proteins has been demonstrated.

First Principles based methods and applications for realistic simulations on complex soft materials to develop new materials for energy, health, and environmental sustainability

NASA Astrophysics Data System (ADS)

Goddard, William

2013-03-01

For soft materials applications it is essential to obtain accurate descriptions of the weak (London dispersion, electrostatic) interactions between nonbond units, to include interactions with and stabilization by solvent, and to obtain accurate free energies and entropic changes during chemical, physical, and thermal processing. We will describe some of the advances being made in first principles based methods for treating soft materials with applications selected from new organic electrodes and electrolytes for batteries and fuel cells, forward osmosis for water cleanup, extended matter stable at ambient conditions, and drugs for modulating activation of GCPR membrane proteins,

Coherent Experimental and Simulation Approach To Explore the Underlying Mechanism of Denaturation of Stem Bromelain in Osmolytes.

PubMed

Rani, Anjeeta; Taha, Mohamed; Venkatesu, Pannuru; Lee, Ming-Jer

2017-07-13

Characterization of a protein in the context of its environment is of crucial importance for a complete understanding of its function. Although biophysical techniques provide powerful tools for studying the stability and activity of the enzyme in the presence of various cosolvents, an approach of combining both experimental techniques and molecular dynamic (MD) simulations may lead to the mechanistic insight into the interactions governing the stability of an enzyme. The knowledge of these interactions can be further utilized for range of modifications in the wild form of an enzyme for various pharmaceutical applications. Herein, we employed florescence, UV-visible, circular dichroism (CD), dynamic light scattering (DLS) study, and MD simulations for comprehensive understanding of stem bromelain (BM) in the presence of betaine, sarcosine, arginine, and proline. The thermal stability of BM in the presence of 1 M of osmolytes is found to be in order: proline > betaine > buffer > arginine > sarcosine. BM gets more preferentially hydrated in the presence of betaine and proline than in sarcosine and arginine. Nonetheless, MD simulations suggest that betaine, sarcosine, and arginine at 1 M interact with the active site of BM through H-bonding except proline which are responsible for more disruption of active site. The distances between the catalytic site residues are 1.6, 1.9, 4.3, 5.0, and 6.2 Å for BM in proline, buffer, betaine, arginine, and sarcosine at 1 M, respectively. To the best of our knowledge, this is the first report on detailed unequivocal evidence of denaturation and deactivation of BM in the presence of methylamines and amino acids.

Analytical stability and simulation response study for a coupled two-body system

NASA Technical Reports Server (NTRS)

Tao, K. M.; Roberts, J. R.

1975-01-01

An analytical stability study and a digital simulation response study of two connected rigid bodies are documented. Relative rotation of the bodies at the connection is allowed, thereby providing a model suitable for studying system stability and response during a soft-dock regime. Provisions are made of a docking port axes alignment torque and a despin torque capability for encountering spinning payloads. Although the stability analysis is based on linearized equations, the digital simulation is based on nonlinear models.

A high-order semi-explicit discontinuous Galerkin solver for 3D incompressible flow with application to DNS and LES of turbulent channel flow

NASA Astrophysics Data System (ADS)

Krank, Benjamin; Fehn, Niklas; Wall, Wolfgang A.; Kronbichler, Martin

2017-11-01

We present an efficient discontinuous Galerkin scheme for simulation of the incompressible Navier-Stokes equations including laminar and turbulent flow. We consider a semi-explicit high-order velocity-correction method for time integration as well as nodal equal-order discretizations for velocity and pressure. The non-linear convective term is treated explicitly while a linear system is solved for the pressure Poisson equation and the viscous term. The key feature of our solver is a consistent penalty term reducing the local divergence error in order to overcome recently reported instabilities in spatially under-resolved high-Reynolds-number flows as well as small time steps. This penalty method is similar to the grad-div stabilization widely used in continuous finite elements. We further review and compare our method to several other techniques recently proposed in literature to stabilize the method for such flow configurations. The solver is specifically designed for large-scale computations through matrix-free linear solvers including efficient preconditioning strategies and tensor-product elements, which have allowed us to scale this code up to 34.4 billion degrees of freedom and 147,456 CPU cores. We validate our code and demonstrate optimal convergence rates with laminar flows present in a vortex problem and flow past a cylinder and show applicability of our solver to direct numerical simulation as well as implicit large-eddy simulation of turbulent channel flow at Reτ = 180 as well as 590.

Development and application of bio-sample quantification to evaluate stability and pharmacokinetics of inulin-type fructo-oligosaccharides from Morinda Officinalis.

PubMed

Chi, Liandi; Chen, Lingxiao; Zhang, Jiwen; Zhao, Jing; Li, Shaoping; Zheng, Ying

2018-07-15

Inulin-type fructooligosaccharides (FOS) purified from Morinda Officinalis, with degrees of polymerization (DP) from 3 to 9, have been approved in China as an oral prescribed drug for mild and moderate depression episode, while the stability and oral absorption of this FOS mixtures are largely unknown. As the main active component and quality control marker for above FOS, DP5 was selected as the representative FOS in this study. Desalting method by ion exchange resin was developed to treat bio-sample, followed by separation and quantification by high performance liquid chromatography-charged aerosol detector. Results showed that the DP5 was stepwisely hydrolyzed in simulated gastric fluid and gut microbiota, while maintained stable in intestinal fluid. DP5 has poor permeability across Caco-2 monolayer with P app of 5.22 × 10 -7  cm/s, and very poor oral absorption with bioavailability of (0.50 ± 0.12)% in rat. In conclusion, FOS in Morinda Officinalis demonstrated poor chemical stability in simulated gastric fluid and human gut microbiota, and low oral absorption in rats. Copyright © 2018 Elsevier B.V. All rights reserved.

Understanding the influence of solvent field and fluctuations on the stability of photo-induced charge-separated state in molecular triad

NASA Astrophysics Data System (ADS)

Balamurugan, D.; Aquino, Adelia; Lischka, Hans; Dios, Francis; Flores, Lionel; Cheung, Margaret

2013-03-01

Molecular triad composed of fullerene, porphyrin, and carotene is an artificial analogue of natural photosynthetic system and is considered for applications in solar energy conversion because of its ability to produce long-lived photo-induced charge separated state. The goal of the present multiscale simulation is to understand how the stability of photo-induced charge-separated state in molecular triad is influenced by a polar organic solvent, namely tetrahydrofuran (THF). The multiscale approach is based on combined quantum, classical molecular dynamics, and statistical physics calculations. The quantum chemical calculations were performed on the triad using the second order algebraic diagrammatic perturbation and time-dependent density functional theory. Molecular dynamics simulations were performed on triad in a box of THF solvent with the replica exchange method. The two methods on different length and time scales are bridged through an important sampling technique. We have analyzed the free energy landscape, structural fluctuations, and the long- range electrostatic interactions between triad and solvent molecules. The results suggest that the polarity and re-organization of the solvent is critical in stabilization of charge-separated state in triad. Supported by DOE (DE-FG02-10ER16175)

Stabilized finite element methods to simulate the conductances of ion channels

NASA Astrophysics Data System (ADS)

Tu, Bin; Xie, Yan; Zhang, Linbo; Lu, Benzhuo

2015-03-01

We have previously developed a finite element simulator, ichannel, to simulate ion transport through three-dimensional ion channel systems via solving the Poisson-Nernst-Planck equations (PNP) and Size-modified Poisson-Nernst-Planck equations (SMPNP), and succeeded in simulating some ion channel systems. However, the iterative solution between the coupled Poisson equation and the Nernst-Planck equations has difficulty converging for some large systems. One reason we found is that the NP equations are advection-dominated diffusion equations, which causes troubles in the usual FE solution. The stabilized schemes have been applied to compute fluids flow in various research fields. However, they have not been studied in the simulation of ion transport through three-dimensional models based on experimentally determined ion channel structures. In this paper, two stabilized techniques, the SUPG and the Pseudo Residual-Free Bubble function (PRFB) are introduced to enhance the numerical robustness and convergence performance of the finite element algorithm in ichannel. The conductances of the voltage dependent anion channel (VDAC) and the anthrax toxin protective antigen pore (PA) are simulated to validate the stabilization techniques. Those two stabilized schemes give reasonable results for the two proteins, with decent agreement with both experimental data and Brownian dynamics (BD) simulations. For a variety of numerical tests, it is found that the simulator effectively avoids previous numerical instability after introducing the stabilization methods. Comparison based on our test data set between the two stabilized schemes indicates both SUPG and PRFB have similar performance (the latter is slightly more accurate and stable), while SUPG is relatively more convenient to implement.

Entropic formulation for the protein folding process: Hydrophobic stability correlates with folding rates

NASA Astrophysics Data System (ADS)

Dal Molin, J. P.; Caliri, A.

2018-01-01

Here we focus on the conformational search for the native structure when it is ruled by the hydrophobic effect and steric specificities coming from amino acids. Our main tool of investigation is a 3D lattice model provided by a ten-letter alphabet, the stereochemical model. This minimalist model was conceived for Monte Carlo (MC) simulations when one keeps in mind the kinetic behavior of protein-like chains in solution. We have three central goals here. The first one is to characterize the folding time (τ) by two distinct sampling methods, so we present two sets of 103 MC simulations for a fast protein-like sequence. The resulting sets of characteristic folding times, τ and τq were obtained by the application of the standard Metropolis algorithm (MA), as well as by an enhanced algorithm (Mq A). The finding for τq shows two things: (i) the chain-solvent hydrophobic interactions {hk } plus a set of inter-residues steric constraints {ci,j } are able to emulate the conformational search for the native structure. For each one of the 103MC performed simulations, the target is always found within a finite time window; (ii) the ratio τq / τ ≅ 1 / 10 suggests that the effect of local thermal fluctuations, encompassed by the Tsallis weight, provides to the chain an innate efficiency to escape from energetic and steric traps. We performed additional MC simulations with variations of our design rule to attest this first result, both algorithms the MA and the Mq A were applied to a restricted set of targets, a physical insight is provided. Our second finding was obtained by a set of 600 independent MC simulations, only performed with the Mq A applied to an extended set of 200 representative targets, our native structures. The results show how structural patterns should modulate τq, which cover four orders of magnitude; this finding is our second goal. The third, and last result, was obtained with a special kind of simulation performed with the purpose to explore a possible connection between the hydrophobic component of protein stability and the native structural topology. We simulated those same 200 targets again with the Mq A, only. However, this time we evaluated the relative frequency {ϕq } in which each target visits its corresponding native structure along an appropriate simulation time. Due to the presence of the hydrophobic effect in our approach we obtained a strong correlation between the stability and the folding rate (R = 0 . 85). So, as faster a sequence found its target, as larger is the hydrophobic component of its stability. The strong correlation fulfills our last goal. This final finding suggests that the hydrophobic effect could not be a general stabilizing factor for proteins.

Automatic Implementation of Prony Analysis for Electromechanical Mode Identification from Phasor Measurements

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

Zhou, Ning; Huang, Zhenyu; Tuffner, Francis K.

2010-07-31

Small signal stability problems are one of the major threats to grid stability and reliability. Prony analysis has been successfully applied on ringdown data to monitor electromechanical modes of a power system using phasor measurement unit (PMU) data. To facilitate an on-line application of mode estimation, this paper developed a recursive algorithm for implementing Prony analysis and proposed an oscillation detection method to detect ringdown data in real time. By automatically detect ringdown data, the proposed method helps guarantee that Prony analysis is applied properly and timely on the ringdown data. Thus, the mode estimation results can be performed reliablymore » and timely. The proposed method is tested using Monte Carlo simulations based on a 17-machine model and is shown to be able to properly identify the oscillation data for on-line application of Prony analysis.« less

Model-Based Speech Signal Coding Using Optimized Temporal Decomposition for Storage and Broadcasting Applications

NASA Astrophysics Data System (ADS)

Athaudage, Chandranath R. N.; Bradley, Alan B.; Lech, Margaret

2003-12-01

A dynamic programming-based optimization strategy for a temporal decomposition (TD) model of speech and its application to low-rate speech coding in storage and broadcasting is presented. In previous work with the spectral stability-based event localizing (SBEL) TD algorithm, the event localization was performed based on a spectral stability criterion. Although this approach gave reasonably good results, there was no assurance on the optimality of the event locations. In the present work, we have optimized the event localizing task using a dynamic programming-based optimization strategy. Simulation results show that an improved TD model accuracy can be achieved. A methodology of incorporating the optimized TD algorithm within the standard MELP speech coder for the efficient compression of speech spectral information is also presented. The performance evaluation results revealed that the proposed speech coding scheme achieves 50%-60% compression of speech spectral information with negligible degradation in the decoded speech quality.

Using Magnetic Field Gradients to Simulate Variable Gravity in Fluids and Materials Experiments

NASA Technical Reports Server (NTRS)

Ramachandran, Narayanan

2006-01-01

Fluid flow due to a gravitational field is caused by sedimentation, thermal buoyancy, or solutal buoyancy induced convection. During crystal growth, for example, these flows are undesirable and can lead to crystal imperfections. While crystallization in microgravity can approach diffusion limited growth conditions (no convection), terrestrially strong magnetic fields can be used to control fluid flow and sedimentation effects. In this work, a theory is presented on the stability of solutal convection of a magnetized fluid(weak1y paramagnetic) in the presence of a magnetic field. The requirements for stability are developed and compared to experiments performed within the bore of a superconducting magnet. The theoretical predictions are in good agreement with the experiments. Extension of the technique can also be applied to study artificial gravity requirements for long duration exploration missions. Discussion of this application with preliminary experiments and application of the technique to crystal growth will be provided.

An Approach to V&V of Embedded Adaptive Systems

NASA Technical Reports Server (NTRS)

Liu, Yan; Yerramalla, Sampath; Fuller, Edgar; Cukic, Bojan; Gururajan, Srikaruth

2004-01-01

Rigorous Verification and Validation (V&V) techniques are essential for high assurance systems. Lately, the performance of some of these systems is enhanced by embedded adaptive components in order to cope with environmental changes. Although the ability of adapting is appealing, it actually poses a problem in terms of V&V. Since uncertainties induced by environmental changes have a significant impact on system behavior, the applicability of conventional V&V techniques is limited. In safety-critical applications such as flight control system, the mechanisms of change must be observed, diagnosed, accommodated and well understood prior to deployment. In this paper, we propose a non-conventional V&V approach suitable for online adaptive systems. We apply our approach to an intelligent flight control system that employs a particular type of Neural Networks (NN) as the adaptive learning paradigm. Presented methodology consists of a novelty detection technique and online stability monitoring tools. The novelty detection technique is based on Support Vector Data Description that detects novel (abnormal) data patterns. The Online Stability Monitoring tools based on Lyapunov's Stability Theory detect unstable learning behavior in neural networks. Cases studies based on a high fidelity simulator of NASA's Intelligent Flight Control System demonstrate a successful application of the presented V&V methodology. ,

Double-Layer Gadolinium Zirconate/Yttria-Stabilized Zirconia Thermal Barrier Coatings Deposited by the Solution Precursor Plasma Spray Process

NASA Astrophysics Data System (ADS)

Jiang, Chen; Jordan, Eric H.; Harris, Alan B.; Gell, Maurice; Roth, Jeffrey

2015-08-01

Advanced thermal barrier coatings (TBCs) with lower thermal conductivity, increased resistance to calcium-magnesium-aluminosilicate (CMAS), and improved high-temperature capability, compared to traditional yttria-stabilized zirconia (YSZ) TBCs, are essential to higher efficiency in next generation gas turbine engines. Double-layer rare-earth zirconate/YSZ TBCs are a promising solution. From a processing perspective, solution precursor plasma spray (SPPS) process with its unique and beneficial microstructural features can be an effective approach to obtaining the double-layer microstructure. Previously durable low-thermal-conductivity YSZ TBCs with optimized layered porosity, called the inter-pass boundaries (IPBs) were produced using the SPPS process. In this study, an SPPS gadolinium zirconate (GZO) protective surface layer was successfully added. These SPPS double-layer TBCs not only retained good cyclic durability and low thermal conductivity, but also demonstrated favorable phase stability and increased surface temperature capabilities. The CMAS resistance was evaluated with both accumulative and single applications of simulated CMAS in isothermal furnaces. The double-layer YSZ/GZO exhibited dramatic improvement in the single application, but not in the continuous one. In addition, to explore their potential application in integrated gasification combined cycle environments, double-layer TBCs were tested under high-temperature humidity and encouraging performance was recorded.

Large Eddy Simulations of Colorless Distributed Combustion Systems

NASA Astrophysics Data System (ADS)

Abdulrahman, Husam F.; Jaberi, Farhad; Gupta, Ashwani

2014-11-01

Development of efficient and low-emission colorless distributed combustion (CDC) systems for gas turbine applications require careful examination of the role of various flow and combustion parameters. Numerical simulations of CDC in a laboratory-scale combustor have been conducted to carefully examine the effects of these parameters on the CDC. The computational model is based on a hybrid modeling approach combining large eddy simulation (LES) with the filtered mass density function (FMDF) equations, solved with high order numerical methods and complex chemical kinetics. The simulated combustor operates based on the principle of high temperature air combustion (HiTAC) and has shown to significantly reduce the NOx, and CO emissions while improving the reaction pattern factor and stability without using any flame stabilizer and with low pressure drop and noise. The focus of the current work is to investigate the mixing of air and hydrocarbon fuels and the non-premixed and premixed reactions within the combustor by the LES/FMDF with the reduced chemical kinetic mechanisms for the same flow conditions and configurations investigated experimentally. The main goal is to develop better CDC with higher mixing and efficiency, ultra-low emission levels and optimum residence time. The computational results establish the consistency and the reliability of LES/FMDF and its Lagrangian-Eulerian numerical methodology.

Controllability of runoff and soil loss from small plots treated by vinasse-produced biochar.

PubMed

Sadeghi, Seyed Hamidreza; Hazbavi, Zeinab; Harchegani, Mahboobeh Kiani

2016-01-15

Many different amendments, stabilizers, and conditioners are usually applied for soil and water conservation. Biochar is a carbon-enriched substance produced by thermal decomposition of organic material in the absence of oxygen with the goal to be used as a soil amendment. Biochar can be produced from a wide range of biomass sources including straw, wood, manure, and other organic wastes. Biochar has been demonstrated to restore soil fertility and crop production under many conditions, but less is known about the effects of its application on soil erosion and runoff control. Therefore, a rainfall simulation study, as a pioneer research, was conducted to evaluate the performance of the application of vinasse-produced biochar on the soil erosion control of a sandy clay loam soil packed in small-sized runoff 0.25-m(2) plots with 3 replicates. The treatments were (i) no biochar (control), (ii) biochar (8 tha(-1)) application at 24h before the rainfall simulation and (iii) biochar (8 tha(-1)) application at 48 h before the rainfall simulation. Rainfall was applied at 50 mm h(-1) for 15 min. The mean change of effectiveness in time to runoff could be found in biochar application at 24 and 48 h before simulation treatment with rate of +55.10% and +71.73%, respectively. In addition, the mean runoff volume 24 and 48 h before simulation treatments decreased by 98.46% and 46.39%, respectively. The least soil loss (1.12 ± 0.57 g) and sediment concentration (1.44 ± 0.48 gl(-1)) occurred in the biochar-amended soil treated 48 h before the rainfall simulation. In conclusion, the application of vinasse-produced biochar could effectively control runoff and soil loss. This study provided a new insight into the effects of biochar on runoff, soil loss, and sediment control due to water erosion in sandy clay loam soils. Copyright © 2015 Elsevier B.V. All rights reserved.

Entropic multirelaxation-time lattice Boltzmann method for moving and deforming geometries in three dimensions

NASA Astrophysics Data System (ADS)

Dorschner, B.; Chikatamarla, S. S.; Karlin, I. V.

2017-06-01

Entropic lattice Boltzmann methods have been developed to alleviate intrinsic stability issues of lattice Boltzmann models for under-resolved simulations. Its reliability in combination with moving objects was established for various laminar benchmark flows in two dimensions in our previous work [B. Dorschner, S. Chikatamarla, F. Bösch, and I. Karlin, J. Comput. Phys. 295, 340 (2015), 10.1016/j.jcp.2015.04.017] as well as for three-dimensional one-way coupled simulations of engine-type geometries in B . Dorschner, F. Bösch, S. Chikatamarla, K. Boulouchos, and I. Karlin [J. Fluid Mech. 801, 623 (2016), 10.1017/jfm.2016.448] for flat moving walls. The present contribution aims to fully exploit the advantages of entropic lattice Boltzmann models in terms of stability and accuracy and extends the methodology to three-dimensional cases, including two-way coupling between fluid and structure and then turbulence and deforming geometries. To cover this wide range of applications, the classical benchmark of a sedimenting sphere is chosen first to validate the general two-way coupling algorithm. Increasing the complexity, we subsequently consider the simulation of a plunging SD7003 airfoil in the transitional regime at a Reynolds number of Re =40 000 and, finally, to access the model's performance for deforming geometries, we conduct a two-way coupled simulation of a self-propelled anguilliform swimmer. These simulations confirm the viability of the new fluid-structure interaction lattice Boltzmann algorithm to simulate flows of engineering relevance.

Monte Carlo simulation of ferroelectric domain growth

NASA Astrophysics Data System (ADS)

Li, B. L.; Liu, X. P.; Fang, F.; Zhu, J. L.; Liu, J.-M.

2006-01-01

The kinetics of two-dimensional isothermal domain growth in a quenched ferroelectric system is investigated using Monte Carlo simulation based on a realistic Ginzburg-Landau ferroelectric model with cubic-tetragonal (square-rectangle) phase transitions. The evolution of the domain pattern and domain size with annealing time is simulated, and the stability of trijunctions and tetrajunctions of domain walls is analyzed. It is found that in this much realistic model with strong dipole alignment anisotropy and long-range Coulomb interaction, the powerlaw for normal domain growth still stands applicable. Towards the late stage of domain growth, both the average domain area and reciprocal density of domain wall junctions increase linearly with time, and the one-parameter dynamic scaling of the domain growth is demonstrated.

Neuron splitting in compute-bound parallel network simulations enables runtime scaling with twice as many processors.

PubMed

Hines, Michael L; Eichner, Hubert; Schürmann, Felix

2008-08-01

Neuron tree topology equations can be split into two subtrees and solved on different processors with no change in accuracy, stability, or computational effort; communication costs involve only sending and receiving two double precision values by each subtree at each time step. Splitting cells is useful in attaining load balance in neural network simulations, especially when there is a wide range of cell sizes and the number of cells is about the same as the number of processors. For compute-bound simulations load balance results in almost ideal runtime scaling. Application of the cell splitting method to two published network models exhibits good runtime scaling on twice as many processors as could be effectively used with whole-cell balancing.

Planar Multipol-Resonance-Probe: A Spectral Kinetic Approach

NASA Astrophysics Data System (ADS)

Friedrichs, Michael; Gong, Junbo; Brinkmann, Ralf Peter; Oberrath, Jens; Wilczek, Sebastian

2016-09-01

Measuring plasma parameters, e.g. electron density and electron temperature, is an important procedure to verify the stability and behavior of a plasma process. For this purpose the multipole resonance probe (MRP) represents a satisfying solution to measure the electron density. However the influence of the probe on the plasma through its physical presence makes it unattractive for some processes in industrial application. A solution to combine the benefits of the spherical MRP with the ability to integrate the probe into the plasma reactor is introduced by the planar model of the MRP (pMRP). Introducing the spectral kinetic formalism leads to a reduced simulation-circle compared to particle-in-cell simulations. The model of the pMRP is implemented and first simulation results are presented.

Laboratory evaluation of the pointing stability of the ASPS Vernier System

NASA Technical Reports Server (NTRS)

1980-01-01

The annular suspension and pointing system (ASPS) is an end-mount experiment pointing system designed for use in the space shuttle. The results of the ASPS Vernier System (AVS) pointing stability tests conducted in a laboratory environment are documented. A simulated zero-G suspension was used to support the test payload in the laboratory. The AVS and the suspension were modelled and incorporated into a simulation of the laboratory test. Error sources were identified and pointing stability sensitivities were determined via simulation. Statistical predictions of laboratory test performance were derived and compared to actual laboratory test results. The predicted mean pointing stability during simulated shuttle disturbances was 1.22 arc seconds; the actual mean laboratory test pointing stability was 1.36 arc seconds. The successful prediction of laboratory test results provides increased confidence in the analytical understanding of the AVS magnetic bearing technology and allows confident prediction of in-flight performance. Computer simulations of ASPS, operating in the shuttle disturbance environment, predict in-flight pointing stability errors less than 0.01 arc seconds.

Stability of a modified Peaceman–Rachford method for the paraxial Helmholtz equation on adaptive grids

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

Sheng, Qin, E-mail: Qin_Sheng@baylor.edu; Sun, Hai-wei, E-mail: hsun@umac.mo

This study concerns the asymptotic stability of an eikonal, or ray, transformation based Peaceman–Rachford splitting method for solving the paraxial Helmholtz equation with high wave numbers. Arbitrary nonuniform grids are considered in transverse and beam propagation directions. The differential equation targeted has been used for modeling propagations of high intensity laser pulses over a long distance without diffractions. Self-focusing of high intensity beams may be balanced with the de-focusing effect of created ionized plasma channel in the situation, and applications of grid adaptations are frequently essential. It is shown rigorously that the fully discretized oscillation-free decomposition method on arbitrary adaptivemore » grids is asymptotically stable with a stability index one. Simulation experiments are carried out to illustrate our concern and conclusions.« less

Elastic robot control - Nonlinear inversion and linear stabilization

NASA Technical Reports Server (NTRS)

Singh, S. N.; Schy, A. A.

1986-01-01

An approach to the control of elastic robot systems for space applications using inversion, servocompensation, and feedback stabilization is presented. For simplicity, a robot arm (PUMA type) with three rotational joints is considered. The third link is assumed to be elastic. Using an inversion algorithm, a nonlinear decoupling control law u(d) is derived such that in the closed-loop system independent control of joint angles by the three joint torquers is accomplished. For the stabilization of elastic oscillations, a linear feedback torquer control law u(s) is obtained applying linear quadratic optimization to the linearized arm model augmented with a servocompensator about the terminal state. Simulation results show that in spite of uncertainties in the payload and vehicle angular velocity, good joint angle control and damping of elastic oscillations are obtained with the torquer control law u = u(d) + u(s).

Stability Properties and Cross Coupling Performance of the Control Allocation Scheme CAPIO

NASA Technical Reports Server (NTRS)

Yildiz, Yildiray; Kolmanovsky, Ilya V.

2010-01-01

This paper presents a stability analysis and an application of a recently developed Control Allocator for recovery from Pilot Induced Oscillations (CAPIO). When actuators are rate-saturated due to either aggressive pilot commands, high gain ight control systems or some anomaly in the system, the effective delay in the control loop may increase. This effective delay increase manifests itself as a phase shift between the commanded and actual system signals and can instigate Pilot induced Oscillations (PIO). CAPIO reduces the e ective time delay by minimizing the phase shift between the commanded and the actual attitude accelerations. We present a stability analysis of CAPIO for a scalar system. In addition, we present simulation results for aircraft with cross-coupling which demonstrates the potential of CAPIO serving as an effective PIO handler in adverse conditions.

Stability of cosmetic emulsion containing different amount of hemp oil.

PubMed

Kowalska, M; Ziomek, M; Żbikowska, A

2015-08-01

The aim of the study was to determine the optimal conditions, that is the content of hemp oil and time of homogenization to obtain stable dispersion systems. For this purpose, six emulsions were prepared, their stability was examined empirically and the most correctly formulated emulsion composition was determined using a computer simulation. Variable parameters (oil content and homogenization time) were indicated by the optimization software based on Kleeman's method. Physical properties of the synthesized emulsions were studied by numerous techniques involving particle size analysis, optical microscopy, Turbiscan test and viscosity of emulsions. The emulsion containing 50 g of oil and being homogenized for 6 min had the highest stability. Empirically determined parameters proved to be consistent with the results obtained using the computer software. The computer simulation showed that the most stable emulsion should contain from 30 to 50 g of oil and should be homogenized for 2.5-6 min. The computer software based on Kleeman's method proved to be useful for quick optimization of the composition and production parameters of stable emulsion systems. Moreover, obtaining an emulsion system with proper stability justifies further research extended with sensory analysis, which will allow the application of such systems (containing hemp oil, beneficial for skin) in the cosmetic industry. © 2015 Society of Cosmetic Scientists and the Société Française de Cosmétologie.

Reaction-Infiltration Instabilities in Fractured and Porous Rocks

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

Ladd, Anthony

In this project we are developing a multiscale analysis of the evolution of fracture permeability, using numerical simulations and linear stability analysis. Our simulations include fully three-dimensional simulations of the fracture topography, fluid flow, and reactant transport, two-dimensional simulations based on aperture models, and linear stability analysis.

Stability of plant virus-based nanocarriers in gastrointestinal fluids† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7nr07182e

PubMed Central

Evans, David J.; Baldelli Bombelli, Francesca; Lomonossoff, George P.

2018-01-01

Cowpea mosaic virus (CPMV) is a plant virus which is being extensively investigated as a drug delivery and vaccine nanocarrier for parenteral administration. However, to date little is known about the suitability of plant-based nanocarriers for oral delivery. In this study, the colloidal (i.e. aggregation), physical (i.e. denaturation) and chemical (i.e. digestion of the polypeptides) stability of CPMV and its empty virus-like particles (eVLPs) in conditions resembling the gastrointestinal fluids were evaluated. The nanoparticles were incubated in various simulated gastric and intestinal fluids and in pig gastric and intestinal fluids. CPMV and eVLPs had similar stabilities. In simulated gastric media, they were stable at pH ≥ 2.5. At lower pH destabilisation of the particle structure occurred, which, in turn, rendered the polypeptides extremely sensitive to pepsin digestion. However, both CPMV and eVLPs were stable in simulated intestinal fluids, in pig gastric fluids and in pig intestinal fluids. Thus CPMV, despite being a protein-based nanoparticle, was much more resistant to the harsh GI conditions than soluble proteins. Remarkably, both CPMV and eVLPs incubated in pig gastric and intestinal fluids were not subject to protein adsorption, with no formation of a detectable protein corona. The lack of a protein corona on CPMV and eVLP surfaces in GI fluids would imply that, if orally administered, these nanoparticles could maintain their native surface characteristics; thus, their biological interactions would remain predictable and unchanged. In summary, CPMV and eVLPs can be considered promising nanocarriers for applications requiring oral delivery, given their chemical, physical and colloidal stability and lack of protein adsorption from the environment in most of the tested conditions. PMID:29231944

Tropical cyclones in a stabilized 1.5 and 2 degree warmer world.

NASA Astrophysics Data System (ADS)

Wehner, M. F.; Stone, D. A.; Loring, B.; Krishnan, H.

2017-12-01

We present an ensemble of very high resolution global climate model simulations of a stabilized 1.5oC and 2oC warmer climate as envisioned by the Paris COP21 agreement. The resolution of this global climate model (25km) permits simulated tropical cyclones up to Category Five on the Saffir-Simpson scale Projected changes in tropical cyclones are significant. Tropical cyclones in the two stabilization scenarios are less frequent but more intense than in simulations of the present. Output data from these simulations is freely available to all interested parties and should prove a useful resource to those interested in studying the impacts of stabilized global warming.

Characterising switching behaviour in perceptual multi-stability.

PubMed

Denham, Susan; Bendixen, Alexandra; Mill, Robert; Tóth, Dénes; Wennekers, Thomas; Coath, Martin; Bőhm, Tamás; Szalardy, Orsolya; Winkler, István

2012-09-15

When people experience an unchanging sensory input for a long period of time, their perception tends to switch stochastically and unavoidably between alternative interpretations of the sensation; a phenomenon known as perceptual bi-stability or multi-stability. The huge variability in the experimental data obtained in such paradigms makes it difficult to distinguish typical patterns of behaviour, or to identify differences between switching patterns. Here we propose a new approach to characterising switching behaviour based upon the extraction of transition matrices from the data, which provide a compact representation that is well-understood mathematically. On the basis of this representation we can characterise patterns of perceptual switching, visualise and simulate typical switching patterns, and calculate the likelihood of observing a particular switching pattern. The proposed method can support comparisons between different observers, experimental conditions and even experiments. We demonstrate the insights offered by this approach using examples from our experiments investigating multi-stability in auditory streaming. However, the methodology is generic and thus widely applicable in studies of multi-stability in any domain. Copyright © 2012 Elsevier B.V. All rights reserved.

Toward a better understanding of helicopter stability derivatives

NASA Technical Reports Server (NTRS)

Hansen, R. S.

1982-01-01

An amended six degree of freedom helicopter stability and control derivative model was developed in which body acceleration and control rate derivatives were included in the Taylor series expansion. These additional derivatives were derived from consideration of the effects of the higher order rotor flapping dynamics, which are known to be inadequately represented in the conventional six degree of freedom, quasistatic stability derivative model. The amended model was a substantial improvement over the conventional model, effectively doubling the unsable bandwidth and providing a more accurate representation of the short period and cross axis characteristics. Further investigations assessed the applicability of the two stability derivative model structures for flight test parameter identification. Parameters were identified using simulation data generated from a higher order base line model having sixth order rotor tip path plane dynamics. Three lower order models were identified: one using the conventional stability derivative model structure, a second using the amended six degree of freedom model structure, and a third model having eight degrees of freedom that included a simplified rotor tip path plane tilt representation.

Stability of florfenicol in drinking water.

PubMed

Hayes, John M; Eichman, Jonathan; Katz, Terry; Gilewicz, Rosalia

2003-01-01

Florfenicol, a broad-spectrum antibiotic, is being developed for veterinary application as an oral concentrate intended for dilution with drinking water. When a drug product is dosed via drinking water in a farm setting, a number of variables, including pH, chlorine content, hardness of the water used for dilution, and container material, may affect its stability, leading to a decrease in drug potency. The stability of florfenicol after dilution of Florfenicol Drinking Water Concentrate Oral Solution, 23 mg/mL, with drinking water was studied. A stability-indicating, validated liquid chromatographic method was used to evaluate florfenicol stability at 25 degrees C at 5, 10, and 24 h after dilution. The results indicate that florfenicol is stable under a range of simulated field conditions, including various pipe materials and conditions of hard or soft and chlorinated or nonchlorinated water at low or high pH. Significant degradation (> 10%) was observed only for isolated combinations in galvanized pipes. Analysis indicated that the florfenicol concentration in 8 of the 12 water samples stored in galvanized pipes remained above 90% of the initial concentration (100 mg/L) for 24 h after dilution.

Computing the absolute Gibbs free energy in atomistic simulations: Applications to defects in solids

NASA Astrophysics Data System (ADS)

Cheng, Bingqing; Ceriotti, Michele

2018-02-01

The Gibbs free energy is the fundamental thermodynamic potential underlying the relative stability of different states of matter under constant-pressure conditions. However, computing this quantity from atomic-scale simulations is far from trivial, so the potential energy of a system is often used as a proxy. In this paper, we use a combination of thermodynamic integration methods to accurately evaluate the Gibbs free energies associated with defects in crystals, including the vacancy formation energy in bcc iron, and the stacking fault energy in fcc nickel, iron, and cobalt. We quantify the importance of entropic and anharmonic effects in determining the free energies of defects at high temperatures, and show that the potential energy approximation as well as the harmonic approximation may produce inaccurate or even qualitatively wrong results. Our calculations manifest the necessity to employ accurate free energy methods such as thermodynamic integration to estimate the stability of crystallographic defects at high temperatures.

Dual RBFNNs-Based Model-Free Adaptive Control With Aspen HYSYS Simulation.

PubMed

Zhu, Yuanming; Hou, Zhongsheng; Qian, Feng; Du, Wenli

2017-03-01

In this brief, we propose a new data-driven model-free adaptive control (MFAC) method with dual radial basis function neural networks (RBFNNs) for a class of discrete-time nonlinear systems. The main novelty lies in that it provides a systematic design method for controller structure by the direct usage of I/O data, rather than using the first-principle model or offline identified plant model. The controller structure is determined by equivalent-dynamic-linearization representation of the ideal nonlinear controller, and the controller parameters are tuned by the pseudogradient information extracted from the I/O data of the plant, which can deal with the unknown nonlinear system. The stability of the closed-loop control system and the stability of the training process for RBFNNs are guaranteed by rigorous theoretical analysis. Meanwhile, the effectiveness and the applicability of the proposed method are further demonstrated by the numerical example and Aspen HYSYS simulation of distillation column in crude styrene produce process.

Aqueous ionic liquids and their effects on protein structures: an overview on recent theoretical and experimental results

NASA Astrophysics Data System (ADS)

Smiatek, Jens

2017-06-01

Ionic liquids (ILs) are used in a variety of technological and biological applications. Recent experimental and simulation results reveal the influence of aqueous ionic liquids on the stability of protein and enzyme structures. Depending on different parameters like the concentration and the ion composition, one can observe distinct stabilization or denaturation mechanisms for various ILs. In this review, we summarize the main findings and discuss the implications with regard to molecular theories of solutions and specific ion effects. A preferential binding model is introduced in order to discuss protein-IL effects from a statistical mechanics perspective. The value of the preferential binding coefficient determines the strength of the ion influence and indicates a shift of the chemical equilibrium either to the native or the denatured state of the protein. We highlight the role of water in order to explain the self-association behavior of the IL species and discuss recent experimental and simulation results in the light of the observed binding effects.

ACCRETION OF SUPERSONIC WINDS ONTO BLACK HOLES IN 3D: STABILITY OF THE SHOCK CONE

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

Gracia-Linares, M.; Guzmán, F. S.

Using numerical simulations we present the accretion of supersonic winds onto a rotating black hole in three dimensions. We study five representative directions of the wind with respect to the axis of rotation of the black hole and focus on the evolution and stability of the high-density shock cone that is formed during the process. We explore both the regime in which the shock cone is expected to be stable in order to confirm previous results obtained with two-dimensional simulations, and the regime in which the shock cone is expected to show a flip–flop (FF) type of instability. The methodsmore » used to attempt a triggering of the instability were (i) the accumulation of numerical errors and (ii) the explicit application of a perturbation on the velocity field after the shock cone was formed. The result is negative, that is, we did not find the FF instability within the parameter space we explored, including cases that are expected to be unstable.« less

Viscous regularization of the full set of nonequilibrium-diffusion Grey Radiation-Hydrodynamic equations

DOE PAGES

Delchini, Marc O.; Ragusa, Jean C.; Ferguson, Jim

2017-02-17

A viscous regularization technique, based on the local entropy residual, was proposed by Delchini et al. (2015) to stabilize the nonequilibrium-diffusion Grey Radiation-Hydrodynamic equations using an artificial viscosity technique. This viscous regularization is modulated by the local entropy production and is consistent with the entropy minimum principle. However, Delchini et al. (2015) only based their work on the hyperbolic parts of the Grey Radiation-Hydrodynamic equations and thus omitted the relaxation and diffusion terms present in the material energy and radiation energy equations. Here in this paper, we extend the theoretical grounds for the method and derive an entropy minimum principlemore » for the full set of nonequilibrium-diffusion Grey Radiation-Hydrodynamic equations. This further strengthens the applicability of the entropy viscosity method as a stabilization technique for radiation-hydrodynamic shock simulations. Radiative shock calculations using constant and temperature-dependent opacities are compared against semi-analytical reference solutions, and we present a procedure to perform spatial convergence studies of such simulations.« less

A Comparison of Three Random Number Generators for Aircraft Dynamic Modeling Applications

NASA Technical Reports Server (NTRS)

Grauer, Jared A.

2017-01-01

Three random number generators, which produce Gaussian white noise sequences, were compared to assess their suitability in aircraft dynamic modeling applications. The first generator considered was the MATLAB (registered) implementation of the Mersenne-Twister algorithm. The second generator was a website called Random.org, which processes atmospheric noise measured using radios to create the random numbers. The third generator was based on synthesis of the Fourier series, where the random number sequences are constructed from prescribed amplitude and phase spectra. A total of 200 sequences, each having 601 random numbers, for each generator were collected and analyzed in terms of the mean, variance, normality, autocorrelation, and power spectral density. These sequences were then applied to two problems in aircraft dynamic modeling, namely estimating stability and control derivatives from simulated onboard sensor data, and simulating flight in atmospheric turbulence. In general, each random number generator had good performance and is well-suited for aircraft dynamic modeling applications. Specific strengths and weaknesses of each generator are discussed. For Monte Carlo simulation, the Fourier synthesis method is recommended because it most accurately and consistently approximated Gaussian white noise and can be implemented with reasonable computational effort.

Stability of hypersonic compression cones

NASA Astrophysics Data System (ADS)

Reed, Helen; Kuehl, Joseph; Perez, Eduardo; Kocian, Travis; Oliviero, Nicholas

2012-11-01

Our activities focus on the identification and understanding of the second-mode instability for representative configurations in hypersonic flight. These include the Langley 93-10 flared cone and the Purdue compression cone, both at 0 degrees angle of attack at Mach 6. Through application of nonlinear parabolized stability equations (NPSE) and linear parabolized stability equations (PSE) to both geometries, it is concluded that mean-flow distortion tends to amplify frequencies less than the peak frequency and stabilize those greater by modifying the boundary-layer thickness. As initial disturbance amplitude is increased and/or a broad spectrum disturbance is introduced, direct numerical simulations (DNS) or NPSE appear to be the proper choices to model the evolution, and relative evolution, because these computational tools include these nonlinear effects (mean-flow distortion). Support from AFOSR/NASA National Center for Hypersonic Research in Laminar-Turbulent Transition through Grant FA9550-09-1-0341 is gratefully acknowledged. The authors also thank Pointwise, AeroSoft, and Texas Advanced Computing Center (TACC).

Molecular dynamics study of thermodynamic stability and dynamics of [Li(glyme)]+ complex in lithium-glyme solvate ionic liquids

NASA Astrophysics Data System (ADS)

Shinoda, Wataru; Hatanaka, Yuta; Hirakawa, Masashi; Okazaki, Susumu; Tsuzuki, Seiji; Ueno, Kazuhide; Watanabe, Masayoshi

2018-05-01

Equimolar mixtures of glymes and organic lithium salts are known to produce solvate ionic liquids, in which the stability of the [Li(glyme)]+ complex plays an important role in determining the ionic dynamics. Since these mixtures have attractive physicochemical properties for application as electrolytes, it is important to understand the dependence of the stability of the [Li(glyme)]+ complex on the ion dynamics. A series of microsecond molecular dynamics simulations has been conducted to investigate the dynamic properties of these solvate ionic liquids. Successful solvate ionic liquids with high stability of the [Li(glyme)]+ complex have been shown to have enhanced ion dynamics. Li-glyme pair exchange rarely occurs: its characteristic time is longer than that of ion diffusion by one or two orders of magnitude. Li-glyme pair exchange most likely occurs through cluster formation involving multiple [Li(glyme)]+ pairs. In this process, multiple exchanges likely take place in a concerted manner without the production of energetically unfavorable free glyme or free Li+ ions.

Finite element analysis and simulation of rheological properties of bulk molding compound (BMC)

NASA Astrophysics Data System (ADS)

Ergin, M. Fatih; Aydin, Ismail

2013-12-01

Bulk molding compound (BMC) is one of the important composite materials with various engineering applications. BMC is a thermoset plastic resin blend of various inert fillers, fiber reinforcements, catalysts, stabilizers and pigments that form a viscous, molding compound. Depending on the end-use application, bulk molding compounds are formulated to achieve close dimensional control, flame and scratch resistance, electrical insulation, corrosion and stain resistance, superior mechanical properties, low shrink and color stability. Its excellent flow characteristics, dielectric properties, and flame resistance make this thermoset material well-suited to a wide variety of applications requiring precision in detail and dimensions as well as high performance. When a BMC is used for these purposes, the rheological behavior and properties of the BMC is the main concern. In this paper, finite element analysis of rheological properties of bulk molding composite material was studied. For this purpose, standard samples of composite material were obtained by means of uniaxial hot pressing. 3 point flexural tests were then carried out by using a universal testing machine. Finite element analyses were then performed with defined material properties within a specific constitutive material behavior. Experimental and numerical results were then compared. Good correlation between the numerical simulation and the experimental results was obtained. It was expected with this study that effects of various process parameters and boundary conditions on the rheological behavior of bulk molding compounds could be determined by means of numerical analysis without detailed experimental work.

Computational study of elements of stability of a four-helix bundle protein biosurfactant

NASA Astrophysics Data System (ADS)

Schaller, Andrea; Connors, Natalie K.; Dwyer, Mirjana Dimitrijev; Oelmeier, Stefan A.; Hubbuch, Jürgen; Middelberg, Anton P. J.

2015-01-01

Biosurfactants are surface-active molecules produced principally by microorganisms. They are a sustainable alternative to chemically-synthesized surfactants, having the advantages of being non-toxic, highly functional, eco-friendly and biodegradable. However they are currently only used in a few industrial products due to costs associated with production and purification, which exceed those for commodity chemical surfactants. DAMP4, a member of a four-helix bundle biosurfactant protein family, can be produced in soluble form and at high yield in Escherichia coli, and can be recovered using a facile thermal phase-separation approach. As such, it encompasses an interesting synergy of biomolecular and chemical engineering with prospects for low-cost production even for industrial sectors. DAMP4 is highly functional, and due to its extraordinary thermal stability it can be purified in a simple two-step process, in which the combination of high temperature and salt leads to denaturation of all contaminants, whereas DAMP4 stays stable in solution and can be recovered by filtration. This study aimed to characterize and understand the fundamental drivers of DAMP4 stability to guide further process and surfactant design studies. The complementary use of experiments and molecular dynamics simulation revealed a broad pH and temperature tolerance for DAMP4, with a melting point of 122.4 °C, suggesting the hydrophobic core as the major contributor to thermal stability. Simulation of systematically created in silico variants of DAMP4 showed an influence of number and location of hydrophilic mutations in the hydrophobic core on stability, demonstrating a tolerance of up to three mutations before a strong loss in stability occurred. The results suggest a consideration of a balance of stability, functionality and kinetics for new designs according to their application, aiming for maximal functionality but at adequate stability to allow for cost-efficient production using thermal phase separation approaches.

Mathematical simulation of power conditioning systems. Volume 1: Simulation of elementary units. Report on simulation methodology

NASA Technical Reports Server (NTRS)

Prajous, R.; Mazankine, J.; Ippolito, J. C.

1978-01-01

Methods and algorithms used for the simulation of elementary power conditioning units buck, boost, and buck-boost, as well as shunt PWM are described. Definitions are given of similar converters and reduced parameters. The various parts of the simulation to be carried out are dealt with; local stability, corrective network, measurements of input-output impedance and global stability. A simulation example is given.

Neuromechanic: a computational platform for simulation and analysis of the neural control of movement

PubMed Central

Bunderson, Nathan E.; Bingham, Jeffrey T.; Sohn, M. Hongchul; Ting, Lena H.; Burkholder, Thomas J.

2015-01-01

Neuromusculoskeletal models solve the basic problem of determining how the body moves under the influence of external and internal forces. Existing biomechanical modeling programs often emphasize dynamics with the goal of finding a feed-forward neural program to replicate experimental data or of estimating force contributions or individual muscles. The computation of rigid-body dynamics, muscle forces, and activation of the muscles are often performed separately. We have developed an intrinsically forward computational platform (Neuromechanic, www.neuromechanic.com) that explicitly represents the interdependencies among rigid body dynamics, frictional contact, muscle mechanics, and neural control modules. This formulation has significant advantages for optimization and forward simulation, particularly with application to neural controllers with feedback or regulatory features. Explicit inclusion of all state dependencies allows calculation of system derivatives with respect to kinematic states as well as muscle and neural control states, thus affording a wealth of analytical tools, including linearization, stability analyses and calculation of initial conditions for forward simulations. In this review, we describe our algorithm for generating state equations and explain how they may be used in integration, linearization and stability analysis tools to provide structural insights into the neural control of movement. PMID:23027632

Neuromechanic: a computational platform for simulation and analysis of the neural control of movement.

PubMed

Bunderson, Nathan E; Bingham, Jeffrey T; Sohn, M Hongchul; Ting, Lena H; Burkholder, Thomas J

2012-10-01

Neuromusculoskeletal models solve the basic problem of determining how the body moves under the influence of external and internal forces. Existing biomechanical modeling programs often emphasize dynamics with the goal of finding a feed-forward neural program to replicate experimental data or of estimating force contributions or individual muscles. The computation of rigid-body dynamics, muscle forces, and activation of the muscles are often performed separately. We have developed an intrinsically forward computational platform (Neuromechanic, www.neuromechanic.com) that explicitly represents the interdependencies among rigid body dynamics, frictional contact, muscle mechanics, and neural control modules. This formulation has significant advantages for optimization and forward simulation, particularly with application to neural controllers with feedback or regulatory features. Explicit inclusion of all state dependencies allows calculation of system derivatives with respect to kinematic states and muscle and neural control states, thus affording a wealth of analytical tools, including linearization, stability analyses and calculation of initial conditions for forward simulations. In this review, we describe our algorithm for generating state equations and explain how they may be used in integration, linearization, and stability analysis tools to provide structural insights into the neural control of movement. Copyright © 2012 John Wiley & Sons, Ltd.

3D multiphysics modeling of superconducting cavities with a massively parallel simulation suite

NASA Astrophysics Data System (ADS)

Kononenko, Oleksiy; Adolphsen, Chris; Li, Zenghai; Ng, Cho-Kuen; Rivetta, Claudio

2017-10-01

Radiofrequency cavities based on superconducting technology are widely used in particle accelerators for various applications. The cavities usually have high quality factors and hence narrow bandwidths, so the field stability is sensitive to detuning from the Lorentz force and external loads, including vibrations and helium pressure variations. If not properly controlled, the detuning can result in a serious performance degradation of a superconducting accelerator, so an understanding of the underlying detuning mechanisms can be very helpful. Recent advances in the simulation suite ace3p have enabled realistic multiphysics characterization of such complex accelerator systems on supercomputers. In this paper, we present the new capabilities in ace3p for large-scale 3D multiphysics modeling of superconducting cavities, in particular, a parallel eigensolver for determining mechanical resonances, a parallel harmonic response solver to calculate the response of a cavity to external vibrations, and a numerical procedure to decompose mechanical loads, such as from the Lorentz force or piezoactuators, into the corresponding mechanical modes. These capabilities have been used to do an extensive rf-mechanical analysis of dressed TESLA-type superconducting cavities. The simulation results and their implications for the operational stability of the Linac Coherent Light Source-II are discussed.

A theoretical analysis and finite element simulation of fixator-bone system stiffness on healing progression.

PubMed

Li, Jianfeng; Zhao, Xia; Hu, Xiaojie; Tao, Chunjing; Ji, Run

2018-03-01

The unilateral external fixator has become a quick and easy application for fracture stabilization of the extremities; the main value for evaluation of mechanical stability of the external fixator is stiffness. The stiffness property of the external fixator affects the local biomechanical environment of fractured bone. In this study, a theoretical model with changing Young's modulus of the callus is established by using the Castigliano's theory, investigating compression stiffness, torsional stiffness and bending stiffness of the fixator-bone system during the healing process. The effects of pin deviation angle on three stiffness methods are also investigated. In addition, finite element simulation is discussed regarding the stress distribution between the fixator and bone. The results reveal the three stiffness evaluation methods are similar for the fixator-bone system. Finite element simulation shows that with increased healing time, the transmission of the load between the fixator and bone are different. In addition, the finite element analyses verify the conclusions obtained from the theoretical model. This work helps orthopedic doctors to monitor the progression of fracture healing and determine the appropriate time for removal of a fixation device and provide important theoretical methodology.

Application of a derivative-free global optimization algorithm to the derivation of a new time integration scheme for the simulation of incompressible turbulence

NASA Astrophysics Data System (ADS)

Alimohammadi, Shahrouz; Cavaglieri, Daniele; Beyhaghi, Pooriya; Bewley, Thomas R.

2016-11-01

This work applies a recently developed Derivative-free optimization algorithm to derive a new mixed implicit-explicit (IMEX) time integration scheme for Computational Fluid Dynamics (CFD) simulations. This algorithm allows imposing a specified order of accuracy for the time integration and other important stability properties in the form of nonlinear constraints within the optimization problem. In this procedure, the coefficients of the IMEX scheme should satisfy a set of constraints simultaneously. Therefore, the optimization process, at each iteration, estimates the location of the optimal coefficients using a set of global surrogates, for both the objective and constraint functions, as well as a model of the uncertainty function of these surrogates based on the concept of Delaunay triangulation. This procedure has been proven to converge to the global minimum of the constrained optimization problem provided the constraints and objective functions are twice differentiable. As a result, a new third-order, low-storage IMEX Runge-Kutta time integration scheme is obtained with remarkably fast convergence. Numerical tests are then performed leveraging the turbulent channel flow simulations to validate the theoretical order of accuracy and stability properties of the new scheme.

Aeroelastic simulation of higher harmonic control

NASA Technical Reports Server (NTRS)

Robinson, Lawson H.; Friedmann, Peretz P.

1994-01-01

This report describes the development of an aeroelastic analysis of a helicopter rotor and its application to the simulation of helicopter vibration reduction through higher harmonic control (HHC). An improved finite-state, time-domain model of unsteady aerodynamics is developed to capture high frequency aerodynamic effects. An improved trim procedure is implemented which accounts for flap, lead-lag, and torsional deformations of the blade. The effect of unsteady aerodynamics is studied and it is found that its impact on blade aeroelastic stability and low frequency response is small, but it has a significant influence on rotor hub vibrations. Several different HHC algorithms are implemented on a hingeless rotor and their effectiveness in reducing hub vibratory shears is compared. All the controllers are found to be quite effective, but very differing HHC inputs are required depending on the aerodynamic model used. Effects of HHC on rotor stability and power requirements are found to be quite small. Simulations of roughly equivalent articulated and hingeless rotors are carried out, and it is found that hingeless rotors can require considerably larger HHC inputs to reduce vibratory shears. This implies that the practical implementation of HHC on hingeless rotors might be considerably more difficult than on articulated rotors.

Skeletal assessment with finite element analysis: relevance, pitfalls and interpretation.

PubMed

Campbell, Graeme Michael; Glüer, Claus-C

2017-07-01

Finite element models simulate the mechanical response of bone under load, enabling noninvasive assessment of strength. Models generated from quantitative computed tomography (QCT) incorporate the geometry and spatial distribution of bone mineral density (BMD) to simulate physiological and traumatic loads as well as orthopaedic implant behaviour. The present review discusses the current strengths and weakness of finite element models for application to skeletal biomechanics. In cadaver studies, finite element models provide better estimations of strength compared to BMD. Data from clinical studies are encouraging; however, the superiority of finite element models over BMD measures for fracture prediction has not been shown conclusively, and may be sex and site dependent. Therapeutic effects on bone strength are larger than for BMD; however, model validation has only been performed on untreated bone. High-resolution modalities and novel image processing methods may enhance the structural representation and predictive ability. Despite extensive use of finite element models to study orthopaedic implant stability, accurate simulation of the bone-implant interface and fracture progression remains a significant challenge. Skeletal finite element models provide noninvasive assessments of strength and implant stability. Improved structural representation and implant surface interaction may enable more accurate models of fragility in the future.

Numerical Prediction of the Influence of Thrust Reverser on Aeroengine's Aerodynamic Stability

NASA Astrophysics Data System (ADS)

Zhiqiang, Wang; Xigang, Shen; Jun, Hu; Xiang, Gao; Liping, Liu

2017-11-01

A numerical method was developed to predict the aerodynamic stability of a high bypass ratio turbofan engine, at the landing stage of a large transport aircraft, when the thrust reverser was deployed. 3D CFD simulation and 2D aeroengine aerodynamic stability analysis code were performed in this work, the former is to achieve distortion coefficient for the analysis of engine stability. The 3D CFD simulation was divided into two steps, the single engine calculation and the integrated aircraft and engine calculation. Results of the CFD simulation show that with the decreasing of relative wind Mach number, the engine inlet will suffer more severe flow distortion. The total pressure and total temperature distortion coefficients at the inlet of the engines were obtained from the results of the numerical simulation. Then an aeroengine aerodynamic stability analysis program was used to quantitatively analyze the aerodynamic stability of the high bypass ratio turbofan engine. The results of the stability analysis show that the engine can work stably, when the reverser flow is re-ingested. But the anti-distortion ability of the booster is weaker than that of the fan and high pressure compressor. It is a weak link of engine stability.

Self-Assembled Mercaptan on Mesoporous Silica (SAMMS) technology of mercury removal and stabilization

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

Feng, Xiangdong; Liu, Jun; Fryxell, G.E.

1997-09-01

This paper explains the technology developed to produce Self-Assembled Mercaptan on Mesoporous Silica (SAMMS) for mercury removal from aqueous wastewater and from organic wastes. The characteristics of SAMMS materials, including physical characteristics and mercury loading, and its application for mercury removal and stabilization are discussed. Binding kinetics and binding speciations are reported. Preliminary cost estimates are provided for producing SAMMS materials and for mercury removal from wastewater. The characteristics of SAMMS in mercury separation were studied at PNNL using simulated aqueous tank wastes and actual tritiated pump oil wastes from Savannah River Site; preliminary results are outlined. 47 refs., 16more » figs., 16 tabs.« less

Predictive Control of Networked Multiagent Systems via Cloud Computing.

PubMed

Liu, Guo-Ping

2017-01-18

This paper studies the design and analysis of networked multiagent predictive control systems via cloud computing. A cloud predictive control scheme for networked multiagent systems (NMASs) is proposed to achieve consensus and stability simultaneously and to compensate for network delays actively. The design of the cloud predictive controller for NMASs is detailed. The analysis of the cloud predictive control scheme gives the necessary and sufficient conditions of stability and consensus of closed-loop networked multiagent control systems. The proposed scheme is verified to characterize the dynamical behavior and control performance of NMASs through simulations. The outcome provides a foundation for the development of cooperative and coordinative control of NMASs and its applications.

A Study of Longitudinal Control Problems at Low and Negative Damping and Stability with Emphasis on Effects of Motion Cues

NASA Technical Reports Server (NTRS)

Sadoff, Melvin; McFadden, Norman M.; Heinle, Donovan R.

1961-01-01

As part of a general investigation to determine the effects of simulator motions on pilot opinion and task performance over a wide range of vehicle longitudinal dynamics, a cooperative NASA-AMAL program was conducted on the centrifuge at Johnsville, Pennsylvania. The test parameters and measurements for this program duplicated those of earlier studies made at Ames Research Center with a variable-stability airplane and with a pitch-roll chair flight simulator. Particular emphasis was placed on the minimum basic damping and stability the pilots would accept and on the minimum dynamics they considered controllable in the event of stability-augmentation system failure. Results of the centrifuge-simulator program indicated that small positive damping was required by the pilots over most of the frequency range covered for configurations rated acceptable for emergency conditions only (e.g., failure of a pitch damper). It was shown that the pilot's tolerance for unstable dynamics was dependent primarily on the value of damping. For configurations rated acceptable for emergency operation only, the allowable instability and damping corresponded to a divergence time to double amplitude of about 1 second. Comparisons were made of centrifuge, pitch-chair and fixed-cockpit simulator tests with flight tests. Pilot ratings indicated that the effects of incomplete or spurious motion cues provided by these three modes of simulation were important only for high-frequency, lightly damped dynamics or unstable, moderately damped dynamics. The pitch- chair simulation, which provided accurate angular-acceleration cues to the pilot, compared most favorably with flight. For the centrifuge simulation, which furnished accurate normal accelerations but spurious pitching and longitudinal accelerations, there was a deterioration of pilots' opinion relative to flight results. Results of simulator studies with an analog pilot replacing the human pilot illustrated the adaptive capability of human pilots in coping with the wide range of vehicle dynamics and the control problems covered in this study. It was shown that pilot-response characteristics, deduced by the analog-pilot method, could be related to pilot opinion. Possible application of these results for predicting flight-control problems was illustrated by means of an example control-problem analysis. The results of a brief evaluation of a pencil-type side-arm controller in the centrifuge showed a considerable improvement in the pilots' ability to cope with high-frequency, low-damping dynamics, compared to results obtained with the center stick. This improvement with the pencil controller was attributed primarily to a marked reduction in the adverse effects of large and exaggerated pitching and longitudinal accelerations on pilot control precision.

Effect of nano-ZnO on biogas generation from simulated landfills.

PubMed

Temizel, İlknur; Emadian, S Mehdi; Di Addario, Martina; Onay, Turgut T; Demirel, Burak; Copty, Nadim K; Karanfil, Tanju

2017-05-01

Extensive use of nanomaterials in commercial consumer products and industrial applications eventually leads to their release to the waste streams and the environment. Nano-ZnO is one of the most widely-used nanomaterials (NMs) due to its unique properties. It is also known to impact biological processes adversely. In this study, the effect of nano-ZnO on biogas generation from sanitary landfills was investigated. Two conventional and two bioreactor landfills were operated using real MSW samples at mesophilic temperature (35°C) for a period of about 1year. 100mg nano-ZnO/kg of dry waste was added to the simulated landfill reactors. Daily gas production, gas composition and leachate Zn concentrations were regularly monitored. A model describing the fate of the nano-ZnO was also developed. The results obtained indicated that as much as 99% of the nano-ZnO was retained within the waste matrix for both reactor operation modes. Waste stabilization was faster in simulated landfill bioreactors with and without the addition of nano-ZnO. Moreover, the presence of the nano-ZnO within the waste led to a decrease in biogas production of about 15%, suggesting that the nano-ZnO might have some inhibitory effects on waste stabilization. This reduction can have potentially significant implications on waste stabilization and the use of biogas from landfills as a renewable energy source. Copyright © 2017 Elsevier Ltd. All rights reserved.

Thermal gradients for the stabilization of a single domain wall in magnetic nanowires.

PubMed

Mejía-López, J; Velásquez, E A; Mazo-Zuluaga, J; Altbir, D

2018-08-24

By means of Monte Carlo simulations we studied field driven nucleation and propagation of transverse domain walls (DWs) in magnetic nanowires subjected to temperature gradients. Simulations identified the existence of critical thermal gradients that allow the existence of reversal processes driven by a single DW. Critical thermal gradients depend on external parameters such as temperature, magnetic field and wire length, and can be experimentally obtained through the measurement of the mean velocity of the magnetization reversal as a function of the temperature gradient. Our results show that temperature gradients provide a high degree of control over DW propagation, which is of great importance for technological applications.

A Study of Impact Point Detecting Method Based on Seismic Signal

NASA Astrophysics Data System (ADS)

Huo, Pengju; Zhang, Yu; Xu, Lina; Huang, Yong

The projectile landing position has to be determined for its recovery and range in the targeting test. In this paper, a global search method based on the velocity variance is proposed. In order to verify the applicability of this method, simulation analysis within the scope of four million square meters has been conducted in the same array structure of the commonly used linear positioning method, and MATLAB was used to compare and analyze the two methods. The compared simulation results show that the global search method based on the speed of variance has high positioning accuracy and stability, which can meet the needs of impact point location.

Research on dynamic routing mechanisms in wireless sensor networks.

PubMed

Zhao, A Q; Weng, Y N; Lu, Y; Liu, C Y

2014-01-01

WirelessHART is the most widely applied standard in wireless sensor networks nowadays. However, it does not provide any dynamic routing mechanism, which is important for the reliability and robustness of the wireless network applications. In this paper, a collection tree protocol based, dynamic routing mechanism was proposed for WirelessHART network. The dynamic routing mechanism was evaluated through several simulation experiments in three aspects: time for generating the topology, link quality, and stability of network. Besides, the data transmission efficiency of this routing mechanism was analyzed. The simulation and evaluation results show that this mechanism can act as a dynamic routing mechanism for the TDMA-based wireless sensor network.

FDTD simulations to assess the performance of CFMA-434 applicators for superficial hyperthermia.

PubMed

Kok, H Petra; De Greef, Martijn; Correia, Davi; Vörding, Paul J Zum Vörde Sive; Van Stam, Gerard; Gelvich, Edward A; Bel, Arjan; Crezee, Johannes

2009-01-01

Contact flexible microstrip applicators (CFMA), operating at 434 MHz, are applied at the Academic Medical Center (AMC) for superficial hyperthermia (e.g. chest wall recurrences and melanoma). This paper investigates the performance of CFMA, evaluating the stability of the specific absorption rate (SAR) distribution, effective heating depth (EHD) and effective field size (EFS) under different conditions. Simulations were performed using finite differences and were compared to existing measurement data, performed using a rectangular phantom with a superficial fat-equivalent layer of 1 cm and filled with saline solution. The electrode plates of the applicators measure approximately 7 x 20, 29 x 21 and 20 x 29 cm(2). Bolus thickness varied between 1 and 2 cm. The impact of the presence of possible air layers between the rubber frame and the electrodes on the SAR distribution was investigated. The EHD was approximately 1.4 cm and the EFS ranged between approximately 60 and approximately 300 cm(2), depending on the applicator type. Both measurements and simulations showed a split-up of the SAR focus with a 2 cm water bolus. The extent and location of air layers has a strong influence on the shape and size of the iso-SAR contours with a value higher than 50%, but the impact on EFS and EHD is limited. Simulations, confirmed by measurements, showed that the presence of air between the rubber and the electrodes changes the iso-SAR contours, but the impact on the EFS and EHD is limited.

Analysis of the car body stability performance after coupler jack-knifing during braking

NASA Astrophysics Data System (ADS)

Guo, Lirong; Wang, Kaiyun; Chen, Zaigang; Shi, Zhiyong; Lv, Kaikai; Ji, Tiancheng

2018-06-01

This paper aims to improve car body stability performance by optimising locomotive parameters when coupler jack-knifing occurs during braking. In order to prevent car body instability behaviour caused by coupler jack-knifing, a multi-locomotive simulation model and a series of field braking tests are developed to analyse the influence of the secondary suspension and the secondary lateral stopper on the car body stability performance during braking. According to simulation and test results, increasing secondary lateral stiffness contributes to limit car body yaw angle during braking. However, it seriously affects the dynamic performance of the locomotive. For the secondary lateral stopper, its lateral stiffness and free clearance have a significant influence on improving the car body stability capacity, and have less effect on the dynamic performance of the locomotive. An optimised measure was proposed and adopted on the test locomotive. For the optimised locomotive, the lateral stiffness of secondary lateral stopper is increased to 7875 kN/m, while its free clearance is decreased to 10 mm. The optimised locomotive has excellent dynamic and safety performance. Comparing with the original locomotive, the maximum car body yaw angle and coupler rotation angle of the optimised locomotive were reduced by 59.25% and 53.19%, respectively, according to the practical application. The maximum derailment coefficient was 0.32, and the maximum wheelset lateral force was 39.5 kN. Hence, reasonable parameters of secondary lateral stopper can improve the car body stability capacity and the running safety of the heavy haul locomotive.

The interplay between mechanics and stability of viral cages

NASA Astrophysics Data System (ADS)

Hernando-Pérez, Mercedes; Pascual, Elena; Aznar, María; Ionel, Alina; Castón, José R.; Luque, Antoni; Carrascosa, José L.; Reguera, David; de Pablo, Pedro J.

2014-02-01

The stability and strength of viral nanoparticles are crucial to fulfill the functions required through the viral cycle as well as using capsids for biomedical and nanotechnological applications. The mechanical properties of viral shells obtained through Atomic Force Microscopy (AFM) and continuum elasticity theory, such as stiffness or Young's modulus, have been interpreted very often in terms of stability. However, viruses are normally subjected to chemical rather than to mechanical aggression. Thus, a correct interpretation of mechanics in terms of stability requires an adequate linkage between the ability of viral cages to support chemical and mechanical stresses. Here we study the mechanical fragility and chemical stability of bacteriophage T7 in two different maturation states: the early proheads and the final mature capsids. Using chemical stress experiments we show that proheads are less stable than final mature capsids. Still, both particles present similar anisotropic stiffness, indicating that a continuum elasticity description in terms of Young's modulus is not an adequate measure of viral stability. In combination with a computational coarse-grained model we demonstrate that mechanical anisotropy of T7 emerges out of the discrete nature of the proheads and empty capsids. Even though they present the same stiffness, proheads break earlier and have fractures ten times larger than mature capsids, in agreement with chemical stability, thus demonstrating that fragility rather than stiffness is a better indicator of viral cages' stability.The stability and strength of viral nanoparticles are crucial to fulfill the functions required through the viral cycle as well as using capsids for biomedical and nanotechnological applications. The mechanical properties of viral shells obtained through Atomic Force Microscopy (AFM) and continuum elasticity theory, such as stiffness or Young's modulus, have been interpreted very often in terms of stability. However, viruses are normally subjected to chemical rather than to mechanical aggression. Thus, a correct interpretation of mechanics in terms of stability requires an adequate linkage between the ability of viral cages to support chemical and mechanical stresses. Here we study the mechanical fragility and chemical stability of bacteriophage T7 in two different maturation states: the early proheads and the final mature capsids. Using chemical stress experiments we show that proheads are less stable than final mature capsids. Still, both particles present similar anisotropic stiffness, indicating that a continuum elasticity description in terms of Young's modulus is not an adequate measure of viral stability. In combination with a computational coarse-grained model we demonstrate that mechanical anisotropy of T7 emerges out of the discrete nature of the proheads and empty capsids. Even though they present the same stiffness, proheads break earlier and have fractures ten times larger than mature capsids, in agreement with chemical stability, thus demonstrating that fragility rather than stiffness is a better indicator of viral cages' stability. Electronic supplementary information (ESI) available: Purification of T7 proheads and capsids, coarse-grained simulations of the indentation of T7 empty capsids, Finite Element (FE) simulations, and justification of the anisotropic stiffness based on structural information. See DOI: 10.1039/c3nr05763a

Thermal stability and phase transformation in fully indium oxide (InO{sub 1.5}) stabilized zirconia

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

Piva, R.H., E-mail: honorato.piva@ua.pt; Piva, D.H

2017-01-15

Indium oxide (InO{sub 1.5}) stabilized zirconia (InSZ) is an attractive material as electrolyte, or electrode, in solid oxide fuel cells (SOFCs), and as corrosion resistant top coat in thermal barrier coatings. However, little is known about the phase stability of cubic InSZ at temperatures that simulate the conditions in an operating SOFC or turbine. This article provides an investigation of the phase stability and phase transformations in cubic InSZ after heat treatments at 800, 1000, and 1200 °C for periods up to 2000 h. The results revealed that cubic InSZ is not stable during annealing at 1000 and 1200 °C,more » owing to a fast destabilization of the initial cubic phase to tetragonal, and eventually to monoclinic (c → t → m). The c → t → m transition in InSZ is intimately associated with the indium volatilization. On the other hand, cubic InSZ remained stable for 2000 h at 800 °C, although the partial formation of the tetragonal phase was observed along with a 0.25% contraction in the unit cell volume of the cubic phase, caused by short-range ordering. These results demonstrate that technological applications of cubic InSZ are restricted to temperatures at which the volatilization of the InO{sub 1.5} stabilizer does not occur. - Highlights: •Phase stability of fully InO{sub 1.5} stabilized zirconia (cubic InSZ) was evaluated. •Cubic InSZ is instable at temperatures ≥ 1000 °C, owing to the cubic-to-tetragonal-to-monoclinic destabilization. •Cubic InSZ undergoes the cubic-to-tetragonal transformation at ~ 800 °C. •Owing to the low phase stability, applications of cubic InSZ in TBCs or SOFCs are restricted.« less

Anomalously enhanced hydration of aqueous electrolyte solution in hydrophobic carbon nanotubes to maintain stability.

PubMed

Ohba, Tomonori

2014-02-24

An understanding of the structure and behavior of electrolyte solutions in nanoenvironements is crucial not only for a wide variety of applications, but also for the development of physical, chemical, and biological processes. We demonstrate the structure and stability of electrolyte in carbon nanotubes using hybrid reverse Monte Carlo simulations of X-ray diffraction patterns. Hydrogen bonds between water are adequately formed in carbon nanotubes, although some hydrogen bonds are restricted by the interfaces of carbon nanotubes. The hydrogen bonding network of water in electrolyte in the carbon nanotubes is further weakened. On the other hand, formation of the ion hydration shell is significantly enhanced in the electrolyte in the carbon nanotubes in comparison to ion hydration in bulk electrolyte. The significant hydrogen bond and hydration shell formation are a result of gaining stability in the hydrophobic nanoenvironment. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Robust Fuzzy Logic Stabilization with Disturbance Elimination

PubMed Central

Danapalasingam, Kumeresan A.

2014-01-01

A robust fuzzy logic controller is proposed for stabilization and disturbance rejection in nonlinear control systems of a particular type. The dynamic feedback controller is designed as a combination of a control law that compensates for nonlinear terms in a control system and a dynamic fuzzy logic controller that addresses unknown model uncertainties and an unmeasured disturbance. Since it is challenging to derive a highly accurate mathematical model, the proposed controller requires only nominal functions of a control system. In this paper, a mathematical derivation is carried out to prove that the controller is able to achieve asymptotic stability by processing state measurements. Robustness here refers to the ability of the controller to asymptotically steer the state vector towards the origin in the presence of model uncertainties and a disturbance input. Simulation results of the robust fuzzy logic controller application in a magnetic levitation system demonstrate the feasibility of the control design. PMID:25177713

Transport stability of pesticides and PAHs sequestered in polyethylene passive sampling devices.

PubMed

Donald, Carey E; Elie, Marc R; Smith, Brian W; Hoffman, Peter D; Anderson, Kim A

2016-06-01

Research using low-density polyethylene (LDPE) passive samplers has steadily increased over the past two decades. However, such research efforts remain hampered because of strict guidelines, requiring that these samplers be quickly transported in airtight metal or glass containers or foil wrapped on ice. We investigate the transport stability of model pesticides and polycyclic aromatic hydrocarbons (PAHs) with varying physicochemical properties using polytetrafluoroethylene (PTFE) bags instead. Transport scenarios were simulated with transport times up to 14 days with temperatures ranging between -20 and 35 °C. Our findings show that concentrations of all model compounds examined were stable for all transport conditions tested, with mean recoveries ranging from 88 to 113 %. Furthermore, PTFE bags proved beneficial as reusable, lightweight, low-volume, low-cost alternatives to conventional containers. This documentation of stability will allow for more flexible transportation of LDPE passive samplers in an expanding range of research applications while maintaining experimental rigor.

Transport stability of pesticides and PAHs sequestered in polyethylene passive sampling devices

PubMed Central

Donald, Carey E.; Elie, Marc R.; Smith, Brian W.; Hoffman, Peter D.; Anderson, Kim A.

2016-01-01

Research using low-density polyethylene (LDPE) passive samplers has steadily increased over the past two decades. However such research efforts remain hampered because of strict guidelines, requiring that these samplers be quickly transported in airtight metal or glass containers, or foil-wrapped on ice. We investigate the transport stability of model pesticides and polycyclic aromatic hydrocarbons (PAHs) with varying physicochemical properties using polytetrafluoroethylene (PTFE) bags instead. Transport scenarios were simulated with transport times up to 14 days with temperatures ranging between -20 and 35 degrees Celsius. Our findings show that concentrations of all model compounds examined were stable for all transport conditions tested, with mean recoveries ranging from 88% to 113%. Furthermore, PTFE bags proved beneficial as reusable, lightweight, low-volume, low-cost alternatives to conventional containers. This documentation of stability will allow for more flexible transportation of LDPE passive samplers in an expanding range of research applications while maintaining experimental rigor. PMID:26983811

Qualitative fusion technique based on information poor system and its application to factor analysis for vibration of rolling bearings

NASA Astrophysics Data System (ADS)

Xia, Xintao; Wang, Zhongyu

2008-10-01

For some methods of stability analysis of a system using statistics, it is difficult to resolve the problems of unknown probability distribution and small sample. Therefore, a novel method is proposed in this paper to resolve these problems. This method is independent of probability distribution, and is useful for small sample systems. After rearrangement of the original data series, the order difference and two polynomial membership functions are introduced to estimate the true value, the lower bound and the supper bound of the system using fuzzy-set theory. Then empirical distribution function is investigated to ensure confidence level above 95%, and the degree of similarity is presented to evaluate stability of the system. Cases of computer simulation investigate stable systems with various probability distribution, unstable systems with linear systematic errors and periodic systematic errors and some mixed systems. The method of analysis for systematic stability is approved.

Stability characterization and modeling of robust distributed benthic microbial fuel cell (DBMFC) system.

PubMed

Karra, Udayarka; Huang, Guoxian; Umaz, Ridvan; Tenaglier, Christopher; Wang, Lei; Li, Baikun

2013-09-01

A novel and robust distributed benthic microbial fuel cell (DBMFC) was developed to address the energy supply issues for oceanographic sensor network applications, especially under scouring and bioturbation by aquatic life. Multi-anode/cathode configuration was employed in the DBMFC system for enhanced robustness and stability in the harsh ocean environment. The results showed that the DBMFC system achieved peak power and current densities of 190mW/m(2) and 125mA/m(2) respectively. Stability characterization tests indicated the DBMFC with multiple anodes achieved higher power generation over the systems with single anode. A computational model that integrated physical, electrochemical and biological factors of MFCs was developed to validate the overall performance of the DBMFC system. The model simulation well corresponded with the experimental results, and confirmed the hypothesis that using a multi anode/cathode MFC configuration results in reliable and robust power generation. Published by Elsevier Ltd.

Brownian dynamics of sterically-stabilized colloidal suspensions

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

TeGrotenhuis, W.E.; Radke, C.J.; Denn, M.M.

1994-02-01

One application where microstructure plays a critical role is in the production of specialty ceramics, where colloidal suspensions act as precursors; here the microstructure influences the structural, thermal, optical and electrical properties of the ceramic products. Using Brownian dynamics, equilibrium and dynamic properties are calculated for colloidal suspensions that are stabilized through the Milner, Witten and Cates (1988) steric potential. Results are reported for osmotic pressures, radial distributions functions, static structure factors, and self-diffusion coefficients. The sterically-stabilized systems are also approximated by equivalent hard spheres, with good agreement for osmotic pressure and long-range structure. The suitability of the potential tomore » model the behavior of a real system is explored by comparing static structure factors calculated from Brownian dynamics simulations to those measured using SANS. Finally, the effects of Hamaker and hydrodynamic forces on calculated properties are investigated.« less

Aerobiological Stabilities of Different Species of Gram-Negative Bacteria, Including Well-Known Biothreat Simulants, in Single-Cell Particles and Cell Clusters of Different Compositions

PubMed Central

Skogan, Gunnar

2017-01-01

ABSTRACT The ability to perform controlled experiments with bioaerosols is a fundamental enabler of many bioaerosol research disciplines. A practical alternative to using hazardous biothreat agents, e.g., for detection equipment development and testing, involves using appropriate model organisms (simulants). Several species of Gram-negative bacteria have been used or proposed as biothreat simulants. However, the appropriateness of different bacterial genera, species, and strains as simulants is still debated. Here, we report aerobiological stability characteristics of four species of Gram-negative bacteria (Pantoea agglomerans, Serratia marcescens, Escherichia coli, and Xanthomonas arboricola) in single-cell particles and cell clusters produced using four spray liquids (H2O, phosphate-buffered saline[PBS], spent culture medium[SCM], and a SCM-PBS mixture). E. coli showed higher stability in cell clusters from all spray liquids than the other species, but it showed similar or lower stability in single-cell particles. The overall stability was higher in cell clusters than in single-cell particles. The highest overall stability was observed for bioaerosols produced using SCM-containing spray liquids. A key finding was the observation that stability differences caused by particle size or compositional changes frequently followed species-specific patterns. The results highlight how even moderate changes to one experimental parameter, e.g., bacterial species, spray liquid, or particle size, can strongly affect the aerobiological stability of Gram-negative bacteria. Taken together, the results highlight the importance of careful and informed selection of Gram-negative bacterial biothreat simulants and also the accompanying particle size and composition. The outcome of this work contributes to improved selection of simulants, spray liquids, and particle size for use in bioaerosol research. IMPORTANCE The outcome of this work contributes to improved selection of simulants, spray liquids, and particle size for use in bioaerosol research. Taken together, the results highlight the importance of careful and informed selection of Gram-negative bacterial biothreat simulants and also the accompanying particle size and composition. The results highlight how even moderate changes to one experimental parameter, e.g., bacterial species, spray liquid, or particle size, can strongly affect the aerobiological stability of Gram-negative bacteria. A key finding was the observation that stability differences caused by particle size or compositional changes frequently followed species-specific patterns. PMID:28687646

Detoxification of Chemical Warfare Agents Using a Zr6 -Based Metal-Organic Framework/Polymer Mixture.

PubMed

Moon, Su-Young; Proussaloglou, Emmanuel; Peterson, Gregory W; DeCoste, Jared B; Hall, Morgan G; Howarth, Ashlee J; Hupp, Joseph T; Farha, Omar K

2016-10-10

Owing to their high surface area, periodic distribution of metal sites, and water stability, zirconium-based metal-organic frameworks (Zr 6 -MOFs) have shown promising activity for the hydrolysis of nerve agents GD and VX, as well as the simulant, dimethyl 4-nitrophenylphosphate (DMNP), in buffered solutions. A hurdle to using MOFs for this application is the current need for a buffer solution. Here the destruction of the simulant DMNP, as well as the chemical warfare agents (GD and VX) through hydrolysis using a MOF catalyst mixed with a non-volatile, water-insoluble, heterogeneous buffer is reported. The hydrolysis of the simulant and nerve agents in the presence of the heterogeneous buffer was fast and effective. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

VEDA: a web-based virtual environment for dynamic atomic force microscopy.

PubMed

Melcher, John; Hu, Shuiqing; Raman, Arvind

2008-06-01

We describe here the theory and applications of virtual environment dynamic atomic force microscopy (VEDA), a suite of state-of-the-art simulation tools deployed on nanoHUB (www.nanohub.org) for the accurate simulation of tip motion in dynamic atomic force microscopy (dAFM) over organic and inorganic samples. VEDA takes advantage of nanoHUB's cyberinfrastructure to run high-fidelity dAFM tip dynamics computations on local clusters and the teragrid. Consequently, these tools are freely accessible and the dAFM simulations are run using standard web-based browsers without requiring additional software. A wide range of issues in dAFM ranging from optimal probe choice, probe stability, and tip-sample interaction forces, power dissipation, to material property extraction and scanning dynamics over hetereogeneous samples can be addressed.

Invited Article: VEDA: A web-based virtual environment for dynamic atomic force microscopy

NASA Astrophysics Data System (ADS)

Melcher, John; Hu, Shuiqing; Raman, Arvind

2008-06-01

We describe here the theory and applications of virtual environment dynamic atomic force microscopy (VEDA), a suite of state-of-the-art simulation tools deployed on nanoHUB (www.nanohub.org) for the accurate simulation of tip motion in dynamic atomic force microscopy (dAFM) over organic and inorganic samples. VEDA takes advantage of nanoHUB's cyberinfrastructure to run high-fidelity dAFM tip dynamics computations on local clusters and the teragrid. Consequently, these tools are freely accessible and the dAFM simulations are run using standard web-based browsers without requiring additional software. A wide range of issues in dAFM ranging from optimal probe choice, probe stability, and tip-sample interaction forces, power dissipation, to material property extraction and scanning dynamics over hetereogeneous samples can be addressed.

Advanced robot locomotion.

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

Neely, Jason C.; Sturgis, Beverly Rainwater; Byrne, Raymond Harry

This report contains the results of a research effort on advanced robot locomotion. The majority of this work focuses on walking robots. Walking robot applications include delivery of special payloads to unique locations that require human locomotion to exo-skeleton human assistance applications. A walking robot could step over obstacles and move through narrow openings that a wheeled or tracked vehicle could not overcome. It could pick up and manipulate objects in ways that a standard robot gripper could not. Most importantly, a walking robot would be able to rapidly perform these tasks through an intuitive user interface that mimics naturalmore » human motion. The largest obstacle arises in emulating stability and balance control naturally present in humans but needed for bipedal locomotion in a robot. A tracked robot is bulky and limited, but a wide wheel base assures passive stability. Human bipedal motion is so common that it is taken for granted, but bipedal motion requires active balance and stability control for which the analysis is non-trivial. This report contains an extensive literature study on the state-of-the-art of legged robotics, and it additionally provides the analysis, simulation, and hardware verification of two variants of a proto-type leg design.« less

Scoping Candidate Minerals for Stabilization of Arsenic-Bearing Solid Residuals

PubMed Central

Raghav, Madhumitha; Shan, Jilei; Sáez, A. Eduardo; Ela, Wendell P.

2014-01-01

Arsenic Crystallization Technology (ACT) is a potentially eco-friendly, effective technology for stabilization of arsenic-bearing solid residuals (ABSRs). The strategy is to convert ABSRs generated by water treatment facilities into minerals with a high arsenic capacity and long-term stability in mature, municipal solid waste landfills. Candidate minerals considered in this study include scorodite, arsenate hydroxyapatites, ferrous arsenates (symplesite-type minerals), tooeleite, and arsenated-schwertmannite. These minerals were evaluated as to ease of synthesis, applicability to use of iron-based ABSRs as a starting material, and arsenic leachability. The Toxicity Characteristic Leaching Procedure (TCLP) was used for preliminary assessment of candidate mineral leaching. Minerals that passed the TCLP and whose synthesis route was promising were subjected to a more aggressive leaching test using a simulated landfill leachate (SLL) solution. Scorodite and arsenate hydroxyapatites were not considered further because their synthesis conditions were not found to be favorable for general application. Tooeleite and silica-amended tooeleite showed high TCLP arsenic leaching and were also not investigated further. The synthesis process and leaching of ferrous arsenate and arsenated-schwertmannite were promising and of these, arsenated-schwertmannite was most stable during SLL testing. The latter two candidate minerals warrant synthesis optimization and more extensive testing. PMID:24231323

A single-ligand ultra-microporous MOF for precombustion CO2 capture and hydrogen purification.

PubMed

Nandi, Shyamapada; De Luna, Phil; Daff, Thomas D; Rother, Jens; Liu, Ming; Buchanan, William; Hawari, Ayman I; Woo, Tom K; Vaidhyanathan, Ramanathan

2015-12-01

Metal organic frameworks (MOFs) built from a single small ligand typically have high stability, are rigid, and have syntheses that are often simple and easily scalable. However, they are normally ultra-microporous and do not have large surface areas amenable to gas separation applications. We report an ultra-microporous (3.5 and 4.8 Å pores) Ni-(4-pyridylcarboxylate)2 with a cubic framework that exhibits exceptionally high CO2/H2 selectivities (285 for 20:80 and 230 for 40:60 mixtures at 10 bar, 40°C) and working capacities (3.95 mmol/g), making it suitable for hydrogen purification under typical precombustion CO2 capture conditions (1- to 10-bar pressure swing). It exhibits facile CO2 adsorption-desorption cycling and has CO2 self-diffusivities of ~3 × 10(-9) m(2)/s, which is two orders higher than that of zeolite 13X and comparable to other top-performing MOFs for this application. Simulations reveal a high density of binding sites that allow for favorable CO2-CO2 interactions and large cooperative binding energies. Ultra-micropores generated by a small ligand ensures hydrolytic, hydrostatic stabilities, shelf life, and stability toward humid gas streams.

Simulation and analysis of airborne antenna radiation patterns

NASA Technical Reports Server (NTRS)

Kim, J. J.; Burnside, Walter D.

1984-01-01

The objective is to develop an accurate and efficient analytic solution for predicting high frequency radiation patterns of fuselage-mounted airborne antennas. This is an analytic study of airborne antenna patterns using the Uniform Geometrical Theory of Diffraction (UTD). The aircraft is modeled in its most basic form so that the solution is applicable to general-type aircraft. The fuselage is modeled as a perfectly conducting composite ellipsoid; whereas, the wings, stabilizers, nose, fuel tanks, and engines, are simulated as perfectly conducting flat plates that can be attached to the fuselage and/or to each other. The composite-ellipsoid fuselage model is necessary to successfully simulate the wide variety of real world fuselage shapes. Since the antenna is mounted on the fuselage, it has a dominant effect on the resulting radiation pattern so it must be simulated accurately, especially near the antenna. Various radiation patterns are calculated for commercial, private, and military aircraft, and the Space Shuttle Orbiter. The application of this solution to numerous practical airborne antenna problems illustrates its versatility and design capability. In most cases, the solution accuracy is verified by the comparisons between the calculated and measured data.

Smoothed Particle Hydrodynamics: A consistent model for interfacial multiphase fluid flow simulations

NASA Astrophysics Data System (ADS)

Krimi, Abdelkader; Rezoug, Mehdi; Khelladi, Sofiane; Nogueira, Xesús; Deligant, Michael; Ramírez, Luis

2018-04-01

In this work, a consistent Smoothed Particle Hydrodynamics (SPH) model to deal with interfacial multiphase fluid flows simulation is proposed. A modification to the Continuum Stress Surface formulation (CSS) [1] to enhance the stability near the fluid interface is developed in the framework of the SPH method. A non-conservative first-order consistency operator is used to compute the divergence of stress surface tensor. This formulation benefits of all the advantages of the one proposed by Adami et al. [2] and, in addition, it can be applied to more than two phases fluid flow simulations. Moreover, the generalized wall boundary conditions [3] are modified in order to be well adapted to multiphase fluid flows with different density and viscosity. In order to allow the application of this technique to wall-bounded multiphase flows, a modification of generalized wall boundary conditions is presented here for using the SPH method. In this work we also present a particle redistribution strategy as an extension of the damping technique presented in [3] to smooth the initial transient phase of gravitational multiphase fluid flow simulations. Several computational tests are investigated to show the accuracy, convergence and applicability of the proposed SPH interfacial multiphase model.

A "simulation chain" to define a Multidisciplinary Decision Support System for landslide risk management in pyroclastic soils

NASA Astrophysics Data System (ADS)

Damiano, E.; Mercogliano, P.; Netti, N.; Olivares, L.

2012-04-01

This paper proposes a Multidisciplinary Decision Support System (MDSS) as an approach to manage rainfall-induced shallow landslides of the flow type (flowslides) in pyroclastic deposits. We stress the need to combine information from the fields of meteorology, geology, hydrology, geotechnics and economics to support the agencies engaged in land monitoring and management. The MDSS consists of a "simulation chain" to link rainfall to effects in terms of infiltration, slope stability and vulnerability. This "simulation chain" was developed at the Euro-Mediterranean Centre for Climate Change (CMCC) (meteorological aspects), at the Geotechnical Laboratory of the Second University of Naples (hydrological and geotechnical aspects) and at the Department of Economics of the University of Naples "Federico II" (economic aspects). The results obtained from the application of this simulation chain in the Cervinara area during eleven years of research allowed in-depth analysis of the mechanisms underlying a flowslide in pyroclastic soil.

State of the art in electromagnetic modeling for the Compact Linear Collider

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

Candel, Arno; Kabel, Andreas; Lee, Lie-Quan

SLAC's Advanced Computations Department (ACD) has developed the parallel 3D electromagnetic time-domain code T3P for simulations of wakefields and transients in complex accelerator structures. T3P is based on state-of-the-art Finite Element methods on unstructured grids and features unconditional stability, quadratic surface approximation and up to 6th-order vector basis functions for unprecedented simulation accuracy. Optimized for large-scale parallel processing on leadership supercomputing facilities, T3P allows simulations of realistic 3D structures with fast turn-around times, aiding the design of the next generation of accelerator facilities. Applications include simulations of the proposed two-beam accelerator structures for the Compact Linear Collider (CLIC) - wakefieldmore » damping in the Power Extraction and Transfer Structure (PETS) and power transfer to the main beam accelerating structures are investigated.« less

Shock Waves Mitigation at Blunt Bodies Using Needles and Shells Against a Supersonic Flow

NASA Technical Reports Server (NTRS)

Gilinsky, M.; Blankson, I. M.; Sakharov, V. I.; Shvets, A. I.

2004-01-01

The paper contains some experimental and numerical simulation test results on cylindrical blunt body drag reduction using thin spikes or shell mounted in front of a body against a supersonic flow. Experimental tests were conducted using the Aeromechanics and Gas Dynamics Laboratory facilities at the Institute of Mechanics of Moscow State University (IMMSU). Numerical simulations utilizing NASA and IM/MSU codes were conducted at the Hampton University Fluid Mechanics and Acoustics Laboratory. The main purpose of this research is to examine the efficiency of application of multiple spikes for drag reduction and flow stability at the front of a blunt body in different flight conditions, i.e. Mach number, angle of attack, etc. The principal conclusions of these test results are: multiple spike/needle application leads to decrease of drag reduction benefits by comparison with the case of one central mounted needle at the front of a blunt body, but increase lift benefits.

A fitting empirical potential for NiTi alloy and its application

NASA Astrophysics Data System (ADS)

Ren, Guowu; Tang, Tiegang; Sehitoglu, Huseyin

Due to its superelastic behavior, NiTi shape memory alloy receives considerable attentions over a wide range of industrial and commercial applications. Limited to its complex structural transformation and multiple variants, semiempirical potentials for performing large-scale molecular dynamics simulations to investigate the atomistic mechanical process, are very few. In this work, we construct a new interatomic potential for the NiTi alloy by fitting to experimental or ab initio data. The fitting potential correctly predicts the lattice parameter, structural stability, equation of state for cubic B2(austenite) and monoclinic B19'(martensite) phases. In particular the elastic properties(three elastic constants for B2 and thirteen ones for B19') are in satisfactory agreement with the experiments or ab initio calculations. Furthermore, we apply this potential to conduct the molecular dynamics simulations of the mechanical behavior for NiTi alloy and the results capture its reversible transformation.

Simulation and Development of Internal Model Control Applications in the Bayer Process

NASA Astrophysics Data System (ADS)

Colombé, Ph.; Dablainville, R.; Vacarisas, J.

Traditional PID feedback control system is limited in its use in the Bayer cycle due to the important and omnipresent time delays which can lead to stability problems and sluggish response. Advanced modern control techniques are available, but suffer in an industrial environment from a lack of simplicity and robustness. In this respect the Internal Model Control (IMC) method may be considered as an exception. After a brief review of the basic theoretical principles behind IMC, an IMC scheme is developed to work with single-input, single-output, discrete-time, nonlinear systems. Two applications of IMC in the Bayer process, both in simulations and on industrial plants, are then described: control of the caustic soda concentration of the aluminate liquor and control of the A12O3/Na20 caust. ratio of the digested slurry, Finally, the results obtained make this technique quite attractive for the alumina industry.

Toward 2D and 3D imaging of magnetic nanoparticles using EPR measurements.

PubMed

Coene, A; Crevecoeur, G; Leliaert, J; Dupré, L

2015-09-01

Magnetic nanoparticles (MNPs) are an important asset in many biomedical applications. An effective working of these applications requires an accurate knowledge of the spatial MNP distribution. A promising, noninvasive, and sensitive technique to visualize MNP distributions in vivo is electron paramagnetic resonance (EPR). Currently only 1D MNP distributions can be reconstructed. In this paper, the authors propose extending 1D EPR toward 2D and 3D using computer simulations to allow accurate imaging of MNP distributions. To find the MNP distribution belonging to EPR measurements, an inverse problem needs to be solved. The solution of this inverse problem highly depends on the stability of the inverse problem. The authors adapt 1D EPR imaging to realize the imaging of multidimensional MNP distributions. Furthermore, the authors introduce partial volume excitation in which only parts of the volume are imaged to increase stability of the inverse solution and to speed up the measurements. The authors simulate EPR measurements of different 2D and 3D MNP distributions and solve the inverse problem. The stability is evaluated by calculating the condition measure and by comparing the actual MNP distribution to the reconstructed MNP distribution. Based on these simulations, the authors define requirements for the EPR system to cope with the added dimensions. Moreover, the authors investigate how EPR measurements should be conducted to improve the stability of the associated inverse problem and to increase reconstruction quality. The approach used in 1D EPR can only be employed for the reconstruction of small volumes in 2D and 3D EPRs due to numerical instability of the inverse solution. The authors performed EPR measurements of increasing cylindrical volumes and evaluated the condition measure. This showed that a reduction of the inherent symmetry in the EPR methodology is necessary. By reducing the symmetry of the EPR setup, quantitative images of larger volumes can be obtained. The authors found that, by selectively exciting parts of the volume, the authors could increase the reconstruction quality even further while reducing the amount of measurements. Additionally, the inverse solution of this activation method degrades slower for increasing volumes. Finally, the methodology was applied to noisy EPR measurements: using the reduced EPR setup's symmetry and the partial activation method, an increase in reconstruction quality of ≈ 80% can be seen with a speedup of the measurements with 10%. Applying the aforementioned requirements to the EPR setup and stabilizing the EPR measurements showed a tremendous increase in noise robustness, thereby making EPR a valuable method for quantitative imaging of multidimensional MNP distributions.

Robust, Practical Adaptive Control for Launch Vehicles

NASA Technical Reports Server (NTRS)

Orr, Jeb. S.; VanZwieten, Tannen S.

2012-01-01

A modern mechanization of a classical adaptive control concept is presented with an application to launch vehicle attitude control systems. Due to a rigorous flight certification environment, many adaptive control concepts are infeasible when applied to high-risk aerospace systems; methods of stability analysis are either intractable for high complexity models or cannot be reconciled in light of classical requirements. Furthermore, many adaptive techniques appearing in the literature are not suitable for application to conditionally stable systems with complex flexible-body dynamics, as is often the case with launch vehicles. The present technique is a multiplicative forward loop gain adaptive law similar to that used for the NASA X-15 flight research vehicle. In digital implementation with several novel features, it is well-suited to application on aerodynamically unstable launch vehicles with thrust vector control via augmentation of the baseline attitude/attitude-rate feedback control scheme. The approach is compatible with standard design features of autopilots for launch vehicles, including phase stabilization of lateral bending and slosh via linear filters. In addition, the method of assessing flight control stability via classical gain and phase margins is not affected under reasonable assumptions. The algorithm s ability to recover from certain unstable operating regimes can in fact be understood in terms of frequency-domain criteria. Finally, simulation results are presented that confirm the ability of the algorithm to improve performance and robustness in realistic failure scenarios.

Rotary-Wing Relevant Compressor Aero Research and Technology Development Activities at Glenn Research Center

NASA Technical Reports Server (NTRS)

Welch, Gerard E.; Hathaway, Michael D.; Skoch, Gary J.; Snyder, Christopher A.

2012-01-01

Technical challenges of compressors for future rotorcraft engines are driven by engine-level and component-level requirements. Cycle analyses are used to highlight the engine-level challenges for 3000, 7500, and 12000 SHP-class engines, which include retention of performance and stability margin at low corrected flows, and matching compressor type, axial-flow or centrifugal, to the low corrected flows and high temperatures in the aft stages. At the component level: power-to-weight and efficiency requirements impel designs with lower inherent aerodynamic stability margin; and, optimum engine overall pressure ratios lead to small blade heights and the associated challenges of scale, particularly increased clearance-to-span ratios. The technical challenges associated with the aerodynamics of low corrected flows and stability management impel the compressor aero research and development efforts reviewed herein. These activities include development of simple models for clearance sensitivities to improve cycle calculations, full-annulus, unsteady Navier-Stokes simulations used to elucidate stall, its inception, and the physics of stall control by discrete tip-injection, development of an actuator-duct-based model for rapid simulation of nonaxisymmetric flow fields (e.g., due inlet circumferential distortion), advanced centrifugal compressor stage development and experimentation, and application of stall control in a T700 engine.

Structural adaptation of cold-active RTX lipase from Pseudomonas sp. strain AMS8 revealed via homology and molecular dynamics simulation approaches.

PubMed

Mohamad Ali, Mohd Shukuri; Mohd Fuzi, Siti Farhanie; Ganasen, Menega; Abdul Rahman, Raja Noor Zaliha Raja; Basri, Mahiran; Salleh, Abu Bakar

2013-01-01

The psychrophilic enzyme is an interesting subject to study due to its special ability to adapt to extreme temperatures, unlike typical enzymes. Utilizing computer-aided software, the predicted structure and function of the enzyme lipase AMS8 (LipAMS8) (isolated from the psychrophilic Pseudomonas sp., obtained from the Antarctic soil) are studied. The enzyme shows significant sequence similarities with lipases from Pseudomonas sp. MIS38 and Serratia marcescens. These similarities aid in the prediction of the 3D molecular structure of the enzyme. In this study, 12 ns MD simulation is performed at different temperatures for structural flexibility and stability analysis. The results show that the enzyme is most stable at 0°C and 5°C. In terms of stability and flexibility, the catalytic domain (N-terminus) maintained its stability more than the noncatalytic domain (C-terminus), but the non-catalytic domain showed higher flexibility than the catalytic domain. The analysis of the structure and function of LipAMS8 provides new insights into the structural adaptation of this protein at low temperatures. The information obtained could be a useful tool for low temperature industrial applications and molecular engineering purposes, in the near future.

Micromagnetic study of skyrmion stability in confined magnetic structures with perpendicular anisotropy

NASA Astrophysics Data System (ADS)

Novak, R. L.; Garcia, F.; Novais, E. R. P.; Sinnecker, J. P.; Guimarães, A. P.

2018-04-01

Skyrmions are emerging topological spin structures that are potentially revolutionary for future data storage and spintronics applications. The existence and stability of skyrmions in magnetic materials is usually associated to the presence of the Dzyaloshinskii-Moriya interaction (DMI) in bulk magnets or in magnetic thin films lacking inversion symmetry. While some methods have already been proposed to generate isolated skyrmions in thin films with DMI, a thorough study of the conditions under which the skyrmions will remain stable in order to be manipulated in an integrated spintronic device are still an open problem. The stability of such structures is believed to be a result of ideal combinations of perpendicular magnetic anisotropy (PMA), DMI and the interplay between geometry and magnetostatics. In the present work we show some micromagnetic results supporting previous experimental observations of magnetic skyrmions in spin-valve stacks with a wide range of DMI values. Using micromagnetic simulations of cobalt-based disks, we obtain the magnetic ground state configuration for several values of PMA, DMI and geometric parameters. Skyrmion numbers, corresponding to the topological charge, are calculated in all cases and confirm the occurrence of isolated, stable, axially symmetric skyrmions for several combinations of DMI and anisotropy constant. The stability of the skyrmions in disks is then investigated under magnetic field and spin-polarized current, in finite temperature, highlighting the limits of applicability of these spin textures in spintronic devices.

Improving the Thermodynamic Stability of Aluminate Spinel Nanoparticles with Rare Earths

DOE PAGES

Hasan, M. M.; Dey, Sanchita; Nafsin, Nazia; ...

2016-06-29

Surface energy is a key parameter to understand and predict the stability of catalysts. In this work, the surface energy of MgAl 2O 4, an important base material for catalyst support, was reduced by using dopants prone to form surface excess (surface segregation): Y 3+, Gd 3+, and La 3+. The energy reduction was predicted by atomistic simulations of spinel surfaces and experimentally demonstrated by using microcalorimetry. The surface energy of undoped MgAl 2O 4 was directly measured as 1.65 ± 0.04 J/m 2 and was reduced by adding 2 mol % of the dopants to 1.55 ± 0.04 J/mmore » 2 for Y-doping, 1.45 ± 0.05 J/m 2 for Gd-doping, and 1.26 ± 0.06 J/m 2 for La-doping. Atomistic simulations are qualitatively consistent with the experiments, reinforcing the link between the role of dopants in stabilizing the surface and the energy of segregation. Surface segregation was experimentally assessed using electron energy loss spectroscopy mapping in a scanning transmission electron microscopy image. Finally, the reduced energy resulted in coarsening inhibition for the doped samples and, hence, systematically smaller particle sizes (larger surface areas), meaning increased stability for catalytic applications. Moreover, both experiment and modeling reveal preferential dopant segregation to specific surfaces, which leads to the preponderance of {111} surface planes and suggests a strategy to enhance the area of desired surfaces in nanoparticles for better catalyst support activity.« less

DNA base dimers are stabilized by hydrogen-bonding interactions including non-Watson-Crick pairing near graphite surfaces.

PubMed

Shankar, Akshaya; Jagota, Anand; Mittal, Jeetain

2012-10-11

Single- and double-stranded DNA are increasingly being paired with surfaces and nanoparticles for numerous applications, such as sensing, imaging, and drug delivery. Unlike the majority of DNA structures in bulk that are stabilized by canonical Watson-Crick pairing between Ade-Thy and Gua-Cyt, those adsorbed on surfaces are often stabilized by noncanonical base pairing, quartet formation, and base-surface stacking. Not much is known about these kinds of interactions. To build an understanding of the role of non-Watson-Crick pairing on DNA behavior near surfaces, one requires basic information on DNA base pair stacking and hydrogen-bonding interactions. All-atom molecular simulations of DNA bases in two cases--in bulk water and strongly adsorbed on a graphite surface--are conducted to study the relative strengths of stacking and hydrogen bond interactions for each of the 10 possible combinations of base pairs. The key information obtained from these simulations is the free energy as a function of distance between two bases in a pair. We find that stacking interactions exert the dominant influence on the stability of DNA base pairs in bulk water as expected. The strength of stability for these stacking interactions is found to decrease in the order Gua-Gua > Ade-Gua > Ade-Ade > Gua-Thy > Gua-Cyt > Ade-Thy > Ade-Cyt > Thy-Thy > Cyt-Thy > Cyt-Cyt. On the other hand, mutual interactions of surface-adsorbed base pairs are stabilized mostly by hydrogen-bonding interactions in the order Gua-Cyt > Ade-Gua > Ade-Thy > Ade-Ade > Cyt-Thy > Gua-Gua > Cyt-Cyt > Ade-Cyt > Thy-Thy > Gua-Thy. Interestingly, several non-Watson-Crick base pairings, which are commonly ignored, have similar stabilization free energies due to interbase hydrogen bonding as Watson-Crick pairs. This clearly highlights the importance of non-Watson-Crick base pairing in the development of secondary structures of oligonucleotides near surfaces.

The role of fixation and bone quality on the mechanical stability of tibial knee components.

PubMed

Lee, R W; Volz, R G; Sheridan, D C

1991-12-01

Tibial component loosening remains one of the major causes of failure of cemented and noncemented total knee arthroplasties. In this study, the authors identified the role of implant design, method of fixation, and bone density as it related to implant stability. The physical properties of "good" and "bad" bone were simulated using a "good" and "bad" foam model of the proximal tibia, fabricated in the laboratory from DARO RF-100 foam. A generic tibial component permitting various fixation designs was implanted into "good" and "bad" variable density foam tibial models in both cemented and noncemented modes. The mechanical stability of the implants was determined using a Materials Testing Machine by the application of an eccentrically applied cyclic load. The micromotion (subsidence and lift-off) of the tibial implants was recorded using two Linear Variable Differential Transformers. Statistically significant differences in implant stability were recorded as a function of fixation method. The most rigid implant fixation was achieved using four peripherally placed, 6.5-mm cancellous screws. The addition of a central stem added stability only in the case of "poor" quality foam. The mechanical stability of noncemented implants related directly to the density of the foam. Implant stability was greatly enhanced in "poor" quality foam by the use of cement. The method of implant fixation and bone density are critical determinants to tibial implant stability.

Lagrangian transported MDF methods for compressible high speed flows

NASA Astrophysics Data System (ADS)

Gerlinger, Peter

2017-06-01

This paper deals with the application of thermochemical Lagrangian MDF (mass density function) methods for compressible sub- and supersonic RANS (Reynolds Averaged Navier-Stokes) simulations. A new approach to treat molecular transport is presented. This technique on the one hand ensures numerical stability of the particle solver in laminar regions of the flow field (e.g. in the viscous sublayer) and on the other hand takes differential diffusion into account. It is shown in a detailed analysis, that the new method correctly predicts first and second-order moments on the basis of conventional modeling approaches. Moreover, a number of challenges for MDF particle methods in high speed flows is discussed, e.g. high cell aspect ratio grids close to solid walls, wall heat transfer, shock resolution, and problems from statistical noise which may cause artificial shock systems in supersonic flows. A Mach 2 supersonic mixing channel with multiple shock reflection and a model rocket combustor simulation demonstrate the eligibility of this technique to practical applications. Both test cases are simulated successfully for the first time with a hybrid finite-volume (FV)/Lagrangian particle solver (PS).

Coupling model of aerobic waste degradation considering temperature, initial moisture content and air injection volume.

PubMed

Ma, Jun; Liu, Lei; Ge, Sai; Xue, Qiang; Li, Jiangshan; Wan, Yong; Hui, Xinminnan

2018-03-01

A quantitative description of aerobic waste degradation is important in evaluating landfill waste stability and economic management. This research aimed to develop a coupling model to predict the degree of aerobic waste degradation. On the basis of the first-order kinetic equation and the law of conservation of mass, we first developed the coupling model of aerobic waste degradation that considered temperature, initial moisture content and air injection volume to simulate and predict the chemical oxygen demand in the leachate. Three different laboratory experiments on aerobic waste degradation were simulated to test the model applicability. Parameter sensitivity analyses were conducted to evaluate the reliability of parameters. The coupling model can simulate aerobic waste degradation, and the obtained simulation agreed with the corresponding results of the experiment. Comparison of the experiment and simulation demonstrated that the coupling model is a new approach to predict aerobic waste degradation and can be considered as the basis for selecting the economic air injection volume and appropriate management in the future.

Role of temperature in the radiation stability of yttria stabilized zirconia under swift heavy ion irradiation: A study from the perspective of nuclear reactor applications

NASA Astrophysics Data System (ADS)

Kalita, Parswajit; Ghosh, Santanu; Sattonnay, Gaël; Singh, Udai B.; Grover, Vinita; Shukla, Rakesh; Amirthapandian, S.; Meena, Ramcharan; Tyagi, A. K.; Avasthi, Devesh K.

2017-07-01

The search for materials that can withstand the harsh radiation environments of the nuclear industry has become an urgent challenge in the face of ever-increasing demands for nuclear energy. To this end, polycrystalline yttria stabilized zirconia (YSZ) pellets were irradiated with 80 MeV Ag6+ ions to investigate their radiation tolerance against fission fragments. To better simulate a nuclear reactor environment, the irradiations were carried out at the typical nuclear reactor temperature (850 °C). For comparison, irradiations were also performed at room temperature. Grazing incidence X-ray diffraction and Raman spectroscopy measurements reveal degradation in crystallinity for the room temperature irradiated samples. No bulk structural amorphization was however observed, whereas defect clusters were formed as indicated by transmission electron microscopy and supported by thermal spike simulation results. A significant reduction of the irradiation induced defects/damage, i.e., improvement in the radiation tolerance, was seen under irradiation at 850 °C. This is attributed to the fact that the rapid thermal quenching of the localized hot molten zones (arising from spike in the lattice temperature upon irradiation) is confined to 850 °C (i.e., attributed to the resistance inflicted on the rapid thermal quenching of the localized hot molten zones by the high temperature of the environment) thereby resulting in the reduction of the defects/damage produced. Our results present strong evidence for the applicability of YSZ as an inert matrix fuel in nuclear reactors, where competitive effects of radiation damage and dynamic thermal healing mechanisms may lead to a strong reduction in the damage production and thus sustain its physical integrity.

Role of Brittle Behaviour of Soft Calcarenites Under Low Confinement: Laboratory Observations and Numerical Investigation

NASA Astrophysics Data System (ADS)

Lollino, Piernicola; Andriani, Gioacchino Francesco

2017-07-01

The strength decay that occurs in the post-peak stage, under low confinement stress, represents a key factor of the stress-strain behaviour of rocks. However, for soft rocks this issue is generally underestimated or even neglected in the solution of boundary value problems, as for example those concerning the stability of underground cavities or rocky cliffs. In these cases, the constitutive models frequently used in limit equilibrium analyses or more sophisticated numerical calculations are, respectively, rigid-plastic or elastic-perfectly plastic. In particular, most of commercial continuum-based numerical codes propose a variety of constitutive models, including elasticity, elasto-plasticity, strain-softening and elasto-viscoplasticity, which are not exhaustive in simulating the progressive failure mechanisms affecting brittle rock materials, these being characterized by material detachment and crack opening and propagation. As a consequence, a numerical coupling with mechanical joint propagation is needed to cope with fracture mechanics. Therefore, continuum-based applications that treat the simulation of the failure processes of intact rock masses at low stress levels may need the adoption of numerical techniques capable of implementing fracture mechanics and rock brittleness concepts, as it is shown in this paper. This work is aimed at highlighting, for some applications of rock mechanics, the essential role of post-peak brittleness of soft rocks by means of the application of a hybrid finite-discrete element method. This method allows for a proper simulation of the brittle rock behaviour and the related mechanism of fracture propagation. In particular, the paper presents two ideal problems, represented by a shallow underground cave and a vertical cliff, for which the evolution of the stability conditions is investigated by comparing the solutions obtained implementing different brittle material responses with those resulting from the assumption of perfectly plastic behaviour. To this purpose, a series of petrophysical and mechanical tests were conducted on samples of soft calcarenite belonging to the Calcarenite di Gravina Fm. (Apulia, Southern Italy), focusing specific attention on the post-peak behaviour of the material under three types of loading (compression, indirect tension and shear). Typical geometrical features representative of real rock engineering problems observed in Southern Italy were assumed in the problems examined. The numerical results indicate the impact of soft rock brittleness in the assessment of stability and highlight the need for the adoption of innovative numerical techniques to analyse these types of problems properly.

Tuning the stability and the skyrmion Hall effect in magnetic skyrmions by adjusting their exchange strengths with magnetic disks

NASA Astrophysics Data System (ADS)

Sun, L.; Wu, H. Z.; Miao, B. F.; Wu, D.; Ding, H. F.

2018-06-01

Magnetic skyrmion is a promising candidate for the future information technology due to its small size, topological protection and the ultralow current density needed to displace it. The applications, however, are currently limited by its narrow phase diagram and the skyrmion Hall effect which prevents the skyrmion motion at high speed. In this work, we study the Dzyaloshinskii-Moriya interaction induced magnetic skyrmion that exchange coupled with magnetic nano-disks utilizing the micromagnetic simulation. We find that the stability and the skyrmion Hall effect of the created skyrmion can be tuned effectively with the coupling strength, thus opens the space to optimize the performance of the skyrmion based devices.

Effect of metal ion intercalation on the structure of MXene and water dynamics on its internal surfaces

DOE PAGES

Osti, Naresh C.; Naguib, Michael; Ostadhossein, Alireza; ...

2016-03-24

MXenes are a recently discovered class of 2D materials with an excellent potential for energy storage applications. Because MXene surfaces are hydrophilic and attractive interaction forces between the layers are relatively weak, water molecules can spontaneously intercalate at ambient humidity and significantly influence the key properties of this 2D material. Using complementary X-ray and neutron scattering techniques, we demonstrate that intercalation with potassium cations significantly improves structural homogeneity and water stability in MXenes. Furthermore, in agreement with molecular dynamics simulations, intercalated potassium ions reduce the water self-diffusion coefficient by 2 orders of magnitude, suggesting greater stability of hydrated MXene againstmore » changing environmental conditions.« less

Algorithm Summary and Evaluation: Automatic Implementation of Ringdown Analysis for Electromechanical Mode Identification from Phasor Measurements

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

Zhou, Ning; Huang, Zhenyu; Tuffner, Francis K.

2010-02-28

Small signal stability problems are one of the major threats to grid stability and reliability. Prony analysis has been successfully applied on ringdown data to monitor electromechanical modes of a power system using phasor measurement unit (PMU) data. To facilitate an on-line application of mode estimation, this paper develops a recursive algorithm for implementing Prony analysis and proposed an oscillation detection method to detect ringdown data in real time. By automatically detecting ringdown data, the proposed method helps guarantee that Prony analysis is applied properly and timely on the ringdown data. Thus, the mode estimation results can be performed reliablymore » and timely. The proposed method is tested using Monte Carlo simulations based on a 17-machine model and is shown to be able to properly identify the oscillation data for on-line application of Prony analysis. In addition, the proposed method is applied to field measurement data from WECC to show the performance of the proposed algorithm.« less

Space Environment Stability and Physical Properties of New Materials for Space Power and Commercial Applications

NASA Technical Reports Server (NTRS)

Hambourger, Paul D.

1997-01-01

Useful and informative results were obtained on virtually all materials investigated. For example, the stability of ITO-based arc-proof transparent coatings was greatly improved by substitution of silicon oxide for magnesium fluoride as a dopant. Research on 'air-doped' ITO films has yielded new insight into their conduction mechanism which will help in further development of these coatings. Some air-doped films were found to be extremely pressure sensitive. This work may lead to improved, low-cost gas sensors and vacuum gauges. Work on another promising transparent arc-proof coating (titanium oxide) was initiated in collaboration with industry. Graphite oxide-like materials were synthesized and tested for possible use in high energy-density batteries and other applications. We also started a high-priority project to find the cause of unexpected environmental damage to the exterior of the Hubble Space Telescope (HST) discovered on a recent Shuttle mission. Materials were characterized before and after exposure to soft x-rays and other threats in ground-based simulators.

Evaluation of a bio-based hydrophobic cellulose laurate film as biomaterial--study on biodegradation and cytocompatibility.

PubMed

Crépy, Lucie; Monchau, Francine; Chai, Feng; Raoul, Gwénaël; Hivart, Philippe; Hildebrand, Hartmut F; Martin, Patrick; Joly, Nicolas

2012-05-01

The study aims to validate an original bio-based material, obtained by grafting fatty chains, and more especially lauric chains (C12) onto cellulose, for medical applications. The mechanical properties of the synthesized cellulose laurate (C12) are close to those of petrochemical ones such as low density polyethylene. This cellulose-based polymer is transparent, flexible, and hydrophobic. To evaluate the stability of the cellulosic films in biological fluids the samples are soaked in simulated body fluid or blood plasma for a few hours to 6 months, and then submitted to mechanical and chemical analyses. The simultaneously performed cytocompatibility tests were the colony-forming viability, the vitality and cell proliferation tests using NIH 3T3 fibroblasts and MC 3T3 osteoblast-like cells. The results show the stability, the biocompatibility, and the noncytotoxicity of the synthesized cellulose laurate films. This biomaterial may so be considered for surgical applications. Copyright © 2012 Wiley Periodicals, Inc.

Exploration of Force Transition in Stability Operations Using Multi-Agent Simulation

DTIC Science & Technology

2006-09-01

risk, mission failure risk, and time in the context of the operational threat environment. The Pythagoras Multi-Agent Simulation and Data Farming...NUMBER OF PAGES 173 14. SUBJECT TERMS Stability Operations, Peace Operations, Data Farming, Pythagoras , Agent- Based Model, Multi-Agent Simulation...the operational threat environment. The Pythagoras Multi-Agent Simulation and Data Farming techniques are used to investigate force-level

Passivity-Based Control for Two-Wheeled Robot Stabilization

NASA Astrophysics Data System (ADS)

Uddin, Nur; Aryo Nugroho, Teguh; Agung Pramudito, Wahyu

2018-04-01

A passivity-based control system design for two-wheeled robot (TWR) stabilization is presented. A TWR is a statically-unstable non-linear system. A control system is applied to actively stabilize the TWR. Passivity-based control method is applied to design the control system. The design results in a state feedback control law that makes the TWR closed loop system globally asymptotically stable (GAS). The GAS is proven mathematically. The TWR stabilization is demonstrated through computer simulation. The simulation results show that the designed control system is able to stabilize the TWR.

Numerical simulation of three dimensional transonic flows

NASA Technical Reports Server (NTRS)

Sahu, Jubaraj; Steger, Joseph L.

1987-01-01

The three-dimensional flow over a projectile has been computed using an implicit, approximately factored, partially flux-split algorithm. A simple composite grid scheme has been developed in which a single grid is partitioned into a series of smaller grids for applications which require an external large memory device such as the SSD of the CRAY X-MP/48, or multitasking. The accuracy and stability of the composite grid scheme has been tested by numerically simulating the flow over an ellipsoid at angle of attack and comparing the solution with a single grid solution. The flowfield over a projectile at M = 0.96 and 4 deg angle-of-attack has been computed using a fine grid, and compared with experiment.

Numerical Modeling of Pot-Hole Subsidence Due to Shallow Underground Coal Mining in Structurally Disturbed Ground

NASA Astrophysics Data System (ADS)

Lokhande, Ritesh D.; Murthy, V. M. S. R.; Singh, K. B.; Verma, Chandan Prasad; Verma, A. K.

2018-04-01

Stability analysis of underground mining is, generally, complex in nature and is difficult to carry out through analytical solutions more so in case of pot-hole subsidence prediction. Thus, application of numerical modeling technique for simulating and finding a solution is preferred. This paper reports the development of a methodology for simulating the pot-hole subsidence using FLAC3D. This study is restricted to geologically disturbed areas where presence of fault was dominating factor for occurrence of pot-hole subsidence. The results demonstrate that the variation in the excavation geometry and properties of immediate roof rocks play a vital role in the occurrence of pot-hole subsidence.

Convergence dynamics and pseudo almost periodicity of a class of nonautonomous RFDEs with applications

NASA Astrophysics Data System (ADS)

Fan, Meng; Ye, Dan

2005-09-01

This paper studies the dynamics of a system of retarded functional differential equations (i.e., RF=Es), which generalize the Hopfield neural network models, the bidirectional associative memory neural networks, the hybrid network models of the cellular neural network type, and some population growth model. Sufficient criteria are established for the globally exponential stability and the existence and uniqueness of pseudo almost periodic solution. The approaches are based on constructing suitable Lyapunov functionals and the well-known Banach contraction mapping principle. The paper ends with some applications of the main results to some neural network models and population growth models and numerical simulations.

Applications of the hybrid coordinate method to the TOPS autopilot

NASA Technical Reports Server (NTRS)

Fleischer, G. E.

1978-01-01

Preliminary results are presented from the application of the hybrid coordinate method to modeling TOPS (thermoelectric outer planet spacecraft) structural dynamics. Computer simulated responses of the vehicle are included which illustrate the interaction of relatively flexible appendages with an autopilot control system. Comparisons were made between simplified single-axis models of the control loop, with spacecraft flexibility represented by hinged rigid bodies, and a very detailed three-axis spacecraft model whose flexible portions are described by modal coordinates. While single-axis system, root loci provided reasonable qualitative indications of stability margins in this case, they were quantitatively optimistic when matched against responses of the detailed model.

Design-Optimization Of Cylindrical, Layered Composite Structures Using Efficient Laminate Parameterization

NASA Astrophysics Data System (ADS)

Monicke, A.; Katajisto, H.; Leroy, M.; Petermann, N.; Kere, P.; Perillo, M.

2012-07-01

For many years, layered composites have proven essential for the successful design of high-performance space structures, such as launchers or satellites. A generic cylindrical composite structure for a launcher application was optimized with respect to objectives and constraints typical for space applications. The studies included the structural stability, laminate load response and failure analyses. Several types of cylinders (with and without stiffeners) were considered and optimized using different lay-up parameterizations. Results for the best designs are presented and discussed. The simulation tools, ESAComp [1] and modeFRONTIER [2], employed in the optimization loop are elucidated and their value for the optimization process is explained.

Evolving a Puncture Black Hole with Fixed Mesh Refinement

NASA Technical Reports Server (NTRS)

Imbiriba, Breno; Baker, John; Choi, Dae-II; Centrella, Joan; Fiske. David R.; Brown, J. David; vanMeter, James R.; Olson, Kevin

2004-01-01

We present a detailed study of the effects of mesh refinement boundaries on the convergence and stability of simulations of black hole spacetimes. We find no technical problems. In our applications of this technique to the evolution of puncture initial data, we demonstrate that it is possible to simulaneously maintain second order convergence near the puncture and extend the outer boundary beyond 100M, thereby approaching the asymptotically flat region in which boundary condition problems are less difficult.

Stochastic Control and Numerical Methods with Applications to Communications. Game Theoretic/Subsolution to Importance Sampling for Rare Event Simulation

DTIC Science & Technology

2008-11-01

support to the value of the approach. 9. Scheduling and Control of Mobile Communications Networks with Randomly Time Varying Channels by Stability ...biological systems . Many examples arise in communications and queueing, due to the finite speed of signal transmission, the nonnegligible time required...without delays, the system state takes values in a subset of some finite -dimensional Euclidean space, and the control is a functional of the current

Enhanced gastric stability of esomeprazole by molecular interaction and modulation of microenvironmental pH with alkalizers in solid dispersion.

PubMed

Van Nguyen, Hien; Baek, Namhyun; Lee, Beom-Jin

2017-05-15

Due to the instability of esomeprazole magnesium dihydrate (EPM), a proton pump inhibitor, in gastric fluid, enteric-coated dosage form is commonly used for therapeutic application. In this study, we prepared new gastric fluid resistant solid dispersions (SDs) containing alkalizers. Then, new mechanistic evidence regarding the effects of pharmaceutical alkalizers on the aqueous stability of EPM in simulated gastric fluid was investigated. The alkalizer-loaded SD were prepared by dissolving or dispersing EPM, hydroxypropyl methylcellulose (HPMC) 6 cps, and an alkalizer, in ethanol 50% (v/v) followed by spray drying. Nine different alkalizers were assessed for in vitro stability in two media, simulated gastric fluid (pH 1.2 buffer) and simulated intestinal fluid (pH 6.8 buffer). The microenvironmental pH (pH M ) was measured to evaluate the effect of the alkalizer on the pH M of SDs. Drug crystallinity and morphology of the SDs were also examined by differential scanning calorimetry (DSC), powder X-ray diffraction (PXRD), and scanning electron microscopy (SEM). The interactions among EPM, the polymer, and the alkalizer were elucidated by Fourier transform infrared (FTIR) spectroscopy. The in vivo absorption studies of the optimized alkalizer-containing SD and the enteric-coated reference tablet Nexium ® were then conducted in beagle dogs. Among alkalizers, MgO loaded in SDs proved to be the best alkalizer to stabilize EPM in simulated gastric fluid. pH M values of the alkalizer-containing SDs were significantly higher than that of the SD without alkalizer. The pH M values decreased in the following order: MgO, Na 2 CO 3 , Ca(OH) 2 , and no alkalizer. DSC and PXRD data exhibited a change in the drug crystallinity of the SDs from crystalline to amorphous form. SEM data showed a relatively spherical shape of the MgO-loaded SD compared to the less-defined shape of pure drug. FTIR indicated a strong molecular interaction among EPM, alkalizer and polymer; in particular, MgO showed the strongest interaction with EPM. It was evident that alkalizer interacts with benzimidazole ring and/or sulfonyl group of EPM for enhancing EPM stability in gastric fluid. Regarding the in vivo absorption studies in beagle dogs, the optimized SD (C16) was bioequivalent to the reference Nexium ® and had a considerable greater absorption at the early stages. The current alkalizer-containing SD could provide a promising approach for aqueous stabilization of acid-labile drugs without using enteric coating method. Copyright © 2017 Elsevier B.V. All rights reserved.

The effect of betaine on the foam stability: Molecular simulation

NASA Astrophysics Data System (ADS)

Gao, Fengfeng; Liu, Guokui; Yuan, Shiling

2017-06-01

Zwitterionic betaines are widely used as foam boosters due to these can enhance the stability of foam films. In this paper, mechanistic insights of betaine to improve the stability of alkyl-polyoxyethylene carboxylate (AEC) foam are provided by molecular simulation. In the simulation, we observe the electropositive nitrogen atoms in betaine interact with the electronegative sulfur atoms, an electrostatic structure is formed at the air/water interface. Interaction energies of the mixed surfactants are calculated by the quantum chemistry methods. The calculations show betaine-AEC and betaine-betaine possess attractive interaction, and that AEC-AEC has repulsion to each other. In the other words, the repulsion between the headgroups of anionic surfactants is relaxed by betaine. Additionally, the influence of concentration of betaine on the stability of foam films is also simulated. The RDF and coordination numbers show that the electrostatic structures become denser with the increasing concentration of betaine. Therefore, entry barrier is enhanced accordingly. The SMD simulation also demonstrates the same variation tendency of entry barrier. The simulation details provide vital supplements to experiments.

Control of viscous fingering by nanoparticles

NASA Astrophysics Data System (ADS)

Sabet, Nasser; Hassanzadeh, Hassan; Abedi, Jalal

2017-12-01

A substantial viscosity increase by the addition of a low dose of nanoparticles to the base fluids can well influence the dynamics of viscous fingering. There is a lack of detailed theoretical studies that address the effect of the presence of nanoparticles on unstable miscible displacements. In this study, the impact of nonreactive nanoparticle presence on the stability and subsequent mixing of an originally unstable binary system is examined using linear stability analysis (LSA) and pseudospectral-based direct numerical simulations (DNS). We have parametrized the role of both nondepositing and depositing nanoparticles on the stability of miscible displacements using the developed static and dynamic parametric analyses. Our results show that nanoparticles have the potential to weaken the instabilities of an originally unstable system. Our LSA and DNS results also reveal that nondepositing nanoparticles can be used to fully stabilize an originally unstable front while depositing particles may act as temporary stabilizers whose influence diminishes in the course of time. In addition, we explain the existing inconsistencies concerning the effect of the nanoparticle diffusion coefficient on the dynamics of the system. This study provides a basis for further research on the application of nanoparticles for control of viscosity-driven instabilities.

Simulated Annealing-based Optimal Proportional-Integral-Derivative (PID) Controller Design: A Case Study on Nonlinear Quadcopter Dynamics

NASA Astrophysics Data System (ADS)

Nemirsky, Kristofer Kevin

In this thesis, the history and evolution of rotor aircraft with simulated annealing-based PID application were reviewed and quadcopter dynamics are presented. The dynamics of a quadcopter were then modeled, analyzed, and linearized. A cascaded loop architecture with PID controllers was used to stabilize the plant dynamics, which was improved upon through the application of simulated annealing (SA). A Simulink model was developed to test the controllers and verify the functionality of the proposed control system design. In addition, the data that the Simulink model provided were compared with flight data to present the validity of derived dynamics as a proper mathematical model representing the true dynamics of the quadcopter system. Then, the SA-based global optimization procedure was applied to obtain optimized PID parameters. It was observed that the tuned gains through the SA algorithm produced a better performing PID controller than the original manually tuned one. Next, we investigated the uncertain dynamics of the quadcopter setup. After adding uncertainty to the gyroscopic effects associated with pitch-and-roll rate dynamics, the controllers were shown to be robust against the added uncertainty. A discussion follows to summarize SA-based algorithm PID controller design and performance outcomes. Lastly, future work on SA application on multi-input-multi-output (MIMO) systems is briefly discussed.

Stabilized high-order Galerkin methods based on a parameter-free dynamic SGS model for LES

NASA Astrophysics Data System (ADS)

Marras, Simone; Nazarov, Murtazo; Giraldo, Francis X.

2015-11-01

The high order spectral element approximation of the Euler equations is stabilized via a dynamic sub-grid scale model (Dyn-SGS). This model was originally designed for linear finite elements to solve compressible flows at large Mach numbers. We extend its application to high-order spectral elements to solve the Euler equations of low Mach number stratified flows. The major justification of this work is twofold: stabilization and large eddy simulation are achieved via one scheme only. Because the diffusion coefficients of the regularization stresses obtained via Dyn-SGS are residual-based, the effect of the artificial diffusion is minimal in the regions where the solution is smooth. The direct consequence is that the nominal convergence rate of the high-order solution of smooth problems is not degraded. To our knowledge, this is the first application in atmospheric modeling of a spectral element model stabilized by an eddy viscosity scheme that, by construction, may fulfill stabilization requirements, can model turbulence via LES, and is completely free of a user-tunable parameter. From its derivation, it will be immediately clear that Dyn-SGS is independent of the numerical method; it could be implemented in a discontinuous Galerkin, finite volume, or other environments alike. Preliminary discontinuous Galerkin results are reported as well. The straightforward extension to non-linear scalar problems is also described. A suite of 1D, 2D, and 3D test cases is used to assess the method, with some comparison against the results obtained with the most known Lilly-Smagorinsky SGS model.

Study of Nanocomposites of Amino Acids and Organic Polyethers by Means of Mass Spectrometry and Molecular Dynamics Simulation

NASA Astrophysics Data System (ADS)

Zobnina, V. G.; Kosevich, M. V.; Chagovets, V. V.; Boryak, O. A.

A problem of elucidation of structure of nanomaterials based on combination of proteins and polyether polymers is addressed on the monomeric level of single amino acids and oligomers of PEG-400 and OEG-5 polyethers. Efficiency of application of combined approach involving experimental electrospray mass spectrometry and computer modeling by molecular dynamics simulation is demonstrated. It is shown that oligomers of polyethers form stable complexes with amino acids valine, proline, histidine, glutamic, and aspartic acids. Molecular dynamics simulation has shown that stabilization of amino acid-polyether complexes is achieved due to winding of the polymeric chain around charged groups of amino acids. Structural motives revealed for complexes of single amino acids with polyethers can be realized in structures of protein-polyether nanoparticles currently designed for drug delivery.

Modeling and Simulation for an 8 kW Three-Phase Grid-Connected Photo-Voltaic Power System

NASA Astrophysics Data System (ADS)

Cen, Zhaohui

2017-09-01

Gird-connected Photo-Voltaic (PV) systems rated as 5-10 kW level have advantages of scalability and energy-saving, so they are very typical for small-scale household solar applications. In this paper, an 8 kW three-phase grid-connected PV system model is proposed and studied. In this high-fidelity model, some basic PV system components such as solar panels, DC-DC converters, DC-AC inverters and three-phase utility grids are mathematically modelled and organized as a complete simulation model. Also, an overall power controller with Maximum Power Point Control (MPPT) is proposed to achieve both high-efficiency for solar energy harvesting and grid-connection stability. Finally, simulation results demonstrate the effectiveness of the PV system model and the proposed controller, and power quality issues are discussed.

3D multiphysics modeling of superconducting cavities with a massively parallel simulation suite

DOE PAGES

Kononenko, Oleksiy; Adolphsen, Chris; Li, Zenghai; ...

2017-10-10

Radiofrequency cavities based on superconducting technology are widely used in particle accelerators for various applications. The cavities usually have high quality factors and hence narrow bandwidths, so the field stability is sensitive to detuning from the Lorentz force and external loads, including vibrations and helium pressure variations. If not properly controlled, the detuning can result in a serious performance degradation of a superconducting accelerator, so an understanding of the underlying detuning mechanisms can be very helpful. Recent advances in the simulation suite ace3p have enabled realistic multiphysics characterization of such complex accelerator systems on supercomputers. In this paper, we presentmore » the new capabilities in ace3p for large-scale 3D multiphysics modeling of superconducting cavities, in particular, a parallel eigensolver for determining mechanical resonances, a parallel harmonic response solver to calculate the response of a cavity to external vibrations, and a numerical procedure to decompose mechanical loads, such as from the Lorentz force or piezoactuators, into the corresponding mechanical modes. These capabilities have been used to do an extensive rf-mechanical analysis of dressed TESLA-type superconducting cavities. Furthermore, the simulation results and their implications for the operational stability of the Linac Coherent Light Source-II are discussed.« less

Effect of gold nanoparticle on stability of the DNA molecule: A study of molecular dynamics simulation.

PubMed

Izanloo, Cobra

2017-09-02

An understanding of the mechanism of DNA interactions with gold nanoparticles is useful in today medicine applications. We have performed a molecular dynamics simulation on a B-DNA duplex (CCTCAGGCCTCC) in the vicinity of a gold nanoparticle with a truncated octahedron structure composed of 201 gold atoms (diameter ∼1.8 nm) to investigate gold nanoparticle (GNP) effects on the stability of DNA. During simulation, the nanoparticle is closed to DNA and phosphate groups direct the particles into the major grooves of the DNA molecule. Because of peeling and untwisting states that are occur at end of DNA, the nucleotide base lies flat on the surface of GNP. The configuration entropy is estimated using the covariance matrix of atom-positional fluctuations for different bases. The results show that when a gold nanoparticle has interaction with DNA, entropy increases. The results of conformational energy and the hydrogen bond numbers for DNA indicated that DNA becomes unstable in the vicinity of a gold nanoparticle. The radial distribution function was calculated for water hydrogen-phosphate oxygen pairs. Almost for all nucleotide, the presence of a nanoparticle around DNA caused water molecules to be released from the DNA duplex and cations were close to the DNA.

3D multiphysics modeling of superconducting cavities with a massively parallel simulation suite

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

Kononenko, Oleksiy; Adolphsen, Chris; Li, Zenghai

Radiofrequency cavities based on superconducting technology are widely used in particle accelerators for various applications. The cavities usually have high quality factors and hence narrow bandwidths, so the field stability is sensitive to detuning from the Lorentz force and external loads, including vibrations and helium pressure variations. If not properly controlled, the detuning can result in a serious performance degradation of a superconducting accelerator, so an understanding of the underlying detuning mechanisms can be very helpful. Recent advances in the simulation suite ace3p have enabled realistic multiphysics characterization of such complex accelerator systems on supercomputers. In this paper, we presentmore » the new capabilities in ace3p for large-scale 3D multiphysics modeling of superconducting cavities, in particular, a parallel eigensolver for determining mechanical resonances, a parallel harmonic response solver to calculate the response of a cavity to external vibrations, and a numerical procedure to decompose mechanical loads, such as from the Lorentz force or piezoactuators, into the corresponding mechanical modes. These capabilities have been used to do an extensive rf-mechanical analysis of dressed TESLA-type superconducting cavities. Furthermore, the simulation results and their implications for the operational stability of the Linac Coherent Light Source-II are discussed.« less

Coarse Grained Model for Biological Simulations: Recent Refinements and Validation

PubMed Central

Vicatos, Spyridon; Rychkova, Anna; Mukherjee, Shayantani; Warshel, Arieh

2014-01-01

Exploring the free energy landscape of proteins and modeling the corresponding functional aspects presents a major challenge for computer simulation approaches. This challenge is due to the complexity of the landscape and the enormous computer time needed for converging simulations. The use of various simplified coarse grained (CG) models offers an effective way of sampling the landscape, but most current models are not expected to give a reliable description of protein stability and functional aspects. The main problem is associated with insufficient focus on the electrostatic features of the model. In this respect our recent CG model offers significant advantage as it has been refined while focusing on its electrostatic free energy. Here we review the current state of our model, describing recent refinement, extensions and validation studies while focusing on demonstrating key applications. These include studies of protein stability, extending the model to include membranes and electrolytes and electrodes as well as studies of voltage activated proteins, protein insertion trough the translocon, the action of molecular motors and even the coupling of the stalled ribosome and the translocon. Our example illustrates the general potential of our approach in overcoming major challenges in studies of structure function correlation in proteins and large macromolecular complexes. PMID:25050439

Stabilization of axisymmetric liquid bridges through vibration-induced pressure fields.

PubMed

Haynes, M; Vega, E J; Herrada, M A; Benilov, E S; Montanero, J M

2018-03-01

Previous theoretical studies have indicated that liquid bridges close to the Plateau-Rayleigh instability limit can be stabilized when the upper supporting disk vibrates at a very high frequency and with a very small amplitude. The major effect of the vibration-induced pressure field is to straighten the liquid bridge free surface to compensate for the deformation caused by gravity. As a consequence, the apparent Bond number decreases and the maximum liquid bridge length increases. In this paper, we show experimentally that this procedure can be used to stabilize millimeter liquid bridges in air under normal gravity conditions. The breakup of vibrated liquid bridges is examined experimentally and compared with that produced in absence of vibration. In addition, we analyze numerically the dynamics of axisymmetric liquid bridges far from the Plateau-Rayleigh instability limit by solving the Navier-Stokes equations. We calculate the eigenfrequencies characterizing the linear oscillation modes of vibrated liquid bridges, and determine their stability limits. The breakup process of a vibrated liquid bridge at that stability limit is simulated too. We find qualitative agreement between the numerical predictions for both the stability limits and the breakup process and their experimental counterparts. Finally, we show the applicability of our technique to control the amount of liquid transferred between two solid surfaces. Copyright © 2017 Elsevier Inc. All rights reserved.

The influence of simulated transversus abdominis muscle force on sacroiliac joint flexibility during asymmetric moment application to the pelvis.

PubMed

Gnat, Rafael; Spoor, Kees; Pool-Goudzwaard, Annelies

2015-10-01

The role of so-called local muscle system in motor control of the lower back and pelvis is a subject of ongoing debate. Prevailing beliefs in stabilizing function of this system were recently challenged. This study investigated the impact of in vitro simulated force of transversely oriented fibres of the transversus abdominis muscle (a part of the local system) on flexibility of the sacroiliac joint during asymmetric moment application to the pelvis. In 8 embalmed specimens an incremental moment was applied in the sagittal plane to one innominate with respect to the fixed contralateral innominate. Ranges of motion of the sacroiliac joint were recorded using the Vicon Motion Capture System. Load-deformation curves were plotted and flexibility of the sacroiliac joint was calculated separately for anterior and posterior rotations of the innominate, with and without simulated muscle force. Flexibility of the sacroiliac joint was significantly bigger during anterior rotation of the innominate, as compared to posterior rotation (Anova P<0.05). After application of simulated force of transversus abdominis, flexibility of the joint did not change both during anterior and posterior rotations of the innominate. A lack of a stiffening effect of simulated transversus abdominis force on the sacroiliac joint was demonstrated. Earlier hypotheses suggesting a stiffening influence of this muscle on the pelvis cannot be confirmed. Consistent with previous findings smaller flexibility of the joint recorded during posterior rotation of the innominate may be of clinical importance for physio- and manual therapists. However, major limitations of the study should be acknowledged: in vitro conditions and simulation of only solitary muscle force. Copyright © 2015 Elsevier Ltd. All rights reserved.

Entropic (de)stabilization of surface-bound peptides conjugated with polymers

NASA Astrophysics Data System (ADS)

Carmichael, Scott P.; Shell, M. Scott

2015-12-01

In many emerging biotechnologies, functional proteins must maintain their native structures on or near interfaces (e.g., tethered peptide arrays, protein coated nanoparticles, and amphiphilic peptide micelles). Because the presence of a surface is known to dramatically alter the thermostability of tethered proteins, strategies to stabilize surface-bound proteins are highly sought. Here, we show that polymer conjugation allows for significant control over the secondary structure and thermostability of a model surface-tethered peptide. We use molecular dynamics simulations to examine the folding behavior of a coarse-grained helical peptide that is conjugated to polymers of various lengths and at various conjugation sites. These polymer variations reveal surprisingly diverse behavior, with some stabilizing and some destabilizing the native helical fold. We show that ideal-chain polymer entropies explain these varied effects and can quantitatively predict shifts in folding temperature. We then develop a generic theoretical model, based on ideal-chain entropies, that predicts critical lengths for conjugated polymers to effect changes in the folding of a surface-bound protein. These results may inform new design strategies for the stabilization of surface-associated proteins important for a range technological applications.

Entropic (de)stabilization of surface-bound peptides conjugated with polymers.

PubMed

Carmichael, Scott P; Shell, M Scott

2015-12-28

In many emerging biotechnologies, functional proteins must maintain their native structures on or near interfaces (e.g., tethered peptide arrays, protein coated nanoparticles, and amphiphilic peptide micelles). Because the presence of a surface is known to dramatically alter the thermostability of tethered proteins, strategies to stabilize surface-bound proteins are highly sought. Here, we show that polymer conjugation allows for significant control over the secondary structure and thermostability of a model surface-tethered peptide. We use molecular dynamics simulations to examine the folding behavior of a coarse-grained helical peptide that is conjugated to polymers of various lengths and at various conjugation sites. These polymer variations reveal surprisingly diverse behavior, with some stabilizing and some destabilizing the native helical fold. We show that ideal-chain polymer entropies explain these varied effects and can quantitatively predict shifts in folding temperature. We then develop a generic theoretical model, based on ideal-chain entropies, that predicts critical lengths for conjugated polymers to effect changes in the folding of a surface-bound protein. These results may inform new design strategies for the stabilization of surface-associated proteins important for a range technological applications.

Device Centric Throughput and QoS Optimization for IoTsin a Smart Building Using CRN-Techniques

PubMed Central

Aslam, Saleem; Hasan, Najam Ul; Shahid, Adnan; Jang, Ju Wook; Lee, Kyung-Geun

2016-01-01

The Internet of Things (IoT) has gained an incredible importance in the communication and networking industry due to its innovative solutions and advantages in diverse domains. The IoT’ network is a network of smart physical objects: devices, vehicles, buildings, etc. The IoT has a number of applications ranging from smart home, smart surveillance to smart healthcare systems. Since IoT consists of various heterogeneous devices that exhibit different traffic patterns and expect different quality of service (QoS) in terms of data rate, bit error rate and the stability index of the channel, therefore, in this paper, we formulated an optimization problem to assign channels to heterogeneous IoT devices within a smart building for the provisioning of their desired QoS. To solve this problem, a novel particle swarm optimization-based algorithm is proposed. Then, exhaustive simulations are carried out to evaluate the performance of the proposed algorithm. Simulation results demonstrate the supremacy of our proposed algorithm over the existing ones in terms of throughput, bit error rate and the stability index of the channel. PMID:27782057

Lean stability augmentation study. [on gas turbine combustion chambers

NASA Technical Reports Server (NTRS)

Mcvey, J. B.; Kennedy, J. B.

1979-01-01

An analytical conceptual design study and an experimental test program were conducted to investigate techniques and develop technology for improving the lean combustion limits of premixing, prevaporizing combustors applicable to gas turbine engine main burners. The use of hot gas pilots, catalyzed flameholder elements, and heat recirculation to augment lean stability limits was considered in the conceptual design study. Tests of flameholders embodying selected concepts were conducted at a pressure of 10 arm and over a range of entrance temperatures simulating conditions to be encountered during stratospheric cruise. The tests were performed using an axisymmetric flametube test rig having a nominal diameter of 10.2 cm. A total of sixteen test configurations were examined in which lean blowout limits, pollutant emission characteristics, and combustor performance were evaluated. The use of a piloted perforated plate flameholder employing a pilot fuel flow rate equivalent to 4 percent of the total fuel flow at a simulated cruise condition resulted in a lean blowout equivalence ratio of less than 0.25 with a design point (T sub zero = 600k, Phi = 0.6) NOx emission index of less than 1.0 g/kg.

Lattice Stability and Interatomic Potential of Non-equilibrium Warm Dense Gold

NASA Astrophysics Data System (ADS)

Chen, Z.; Mo, M.; Soulard, L.; Recoules, V.; Hering, P.; Tsui, Y. Y.; Ng, A.; Glenzer, S. H.

2017-10-01

Interatomic potential is central to the calculation and understanding of the properties of matter. A manifestation of interatomic potential is lattice stability in the solid-liquid transition. Recently, we have used frequency domain interferometry (FDI) to study the disassembly of ultrafast laser heated warm dense gold nanofoils. The FDI measurement is implemented by a spatial chirped single-shot technique. The disassembly of the sample is characterized by the change in phase shift of the reflected probe resulted from hydrodynamic expansion. The experimental data is compared with the results of two-temperature molecular dynamic simulations based on a highly optimized embedded-atom-method (EAM) interatomic potential. Good agreement is found for absorbed energy densities of 0.9 to 4.3MJ/kg. This provides the first demonstration of the applicability of an EAM interatomic potential in the non-equilibrium warm dense matter regime. The MD simulations also reveal the critical role of pressure waves in solid-liquid transition in ultrafast laser heated nanofoils. This work is supported by DOE Office of Science, Fusion Energy Science under FWP 100182, and SLAC LDRD program.

Draper Station Analysis Tool

NASA Technical Reports Server (NTRS)

Bedrossian, Nazareth; Jang, Jiann-Woei; McCants, Edward; Omohundro, Zachary; Ring, Tom; Templeton, Jeremy; Zoss, Jeremy; Wallace, Jonathan; Ziegler, Philip

2011-01-01

Draper Station Analysis Tool (DSAT) is a computer program, built on commercially available software, for simulating and analyzing complex dynamic systems. Heretofore used in designing and verifying guidance, navigation, and control systems of the International Space Station, DSAT has a modular architecture that lends itself to modification for application to spacecraft or terrestrial systems. DSAT consists of user-interface, data-structures, simulation-generation, analysis, plotting, documentation, and help components. DSAT automates the construction of simulations and the process of analysis. DSAT provides a graphical user interface (GUI), plus a Web-enabled interface, similar to the GUI, that enables a remotely located user to gain access to the full capabilities of DSAT via the Internet and Webbrowser software. Data structures are used to define the GUI, the Web-enabled interface, simulations, and analyses. Three data structures define the type of analysis to be performed: closed-loop simulation, frequency response, and/or stability margins. DSAT can be executed on almost any workstation, desktop, or laptop computer. DSAT provides better than an order of magnitude improvement in cost, schedule, and risk assessment for simulation based design and verification of complex dynamic systems.

High Fidelity BWR Fuel Simulations

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

Yoon, Su Jong

This report describes the Consortium for Advanced Simulation of Light Water Reactors (CASL) work conducted for completion of the Thermal Hydraulics Methods (THM) Level 3 milestone THM.CFD.P13.03: High Fidelity BWR Fuel Simulation. High fidelity computational fluid dynamics (CFD) simulation for Boiling Water Reactor (BWR) was conducted to investigate the applicability and robustness performance of BWR closures. As a preliminary study, a CFD model with simplified Ferrule spacer grid geometry of NUPEC BWR Full-size Fine-mesh Bundle Test (BFBT) benchmark has been implemented. Performance of multiphase segregated solver with baseline boiling closures has been evaluated. Although the mean values of void fractionmore » and exit quality of CFD result for BFBT case 4101-61 agreed with experimental data, the local void distribution was not predicted accurately. The mesh quality was one of the critical factors to obtain converged result. The stability and robustness of the simulation was mainly affected by the mesh quality, combination of BWR closure models. In addition, the CFD modeling of fully-detailed spacer grid geometry with mixing vane is necessary for improving the accuracy of CFD simulation.« less

Designing Adaptive Low-Dissipative High Order Schemes for Long-Time Integrations. Chapter 1

NASA Technical Reports Server (NTRS)

Yee, Helen C.; Sjoegreen, B.; Mansour, Nagi N. (Technical Monitor)

2001-01-01

A general framework for the design of adaptive low-dissipative high order schemes is presented. It encompasses a rather complete treatment of the numerical approach based on four integrated design criteria: (1) For stability considerations, condition the governing equations before the application of the appropriate numerical scheme whenever it is possible; (2) For consistency, compatible schemes that possess stability properties, including physical and numerical boundary condition treatments, similar to those of the discrete analogue of the continuum are preferred; (3) For the minimization of numerical dissipation contamination, efficient and adaptive numerical dissipation control to further improve nonlinear stability and accuracy should be used; and (4) For practical considerations, the numerical approach should be efficient and applicable to general geometries, and an efficient and reliable dynamic grid adaptation should be used if necessary. These design criteria are, in general, very useful to a wide spectrum of flow simulations. However, the demand on the overall numerical approach for nonlinear stability and accuracy is much more stringent for long-time integration of complex multiscale viscous shock/shear/turbulence/acoustics interactions and numerical combustion. Robust classical numerical methods for less complex flow physics are not suitable or practical for such applications. The present approach is designed expressly to address such flow problems, especially unsteady flows. The minimization of employing very fine grids to overcome the production of spurious numerical solutions and/or instability due to under-resolved grids is also sought. The incremental studies to illustrate the performance of the approach are summarized. Extensive testing and full implementation of the approach is forthcoming. The results shown so far are very encouraging.

Comparative study of a novel application of automated HR HPV assay and stability in a previously untested Preservative media.

PubMed

Morel, Mike E; McBride, Simon E; Gomez, Maria P

2017-12-01

The suitability and stability of cervical cells in Novaprep media (NHQ) for certain HPV assays is unknown. We evaluated the accuracy of an automated HPV assay (Abbott RealTime HR HPV) for cervical cells prepared in NHQ and NHQ with a pre-treatment to mimic a worst case clinical use, compared to the assay manufacturers media; repeatability and reproducibility of HPV results and the stability of detectable HPV in NHQ over time compared to CE marked liquid based cytology preservatives. Cell lines were used to simulate patient samples. Cells stored in NHQ produced accurate, repeatable and reproducible results. Stability in NHQ was comparable to the best performing LBC, with at least 7 months' stability at 18-25°C, 2-8°C, -20°C and -80°C; and at least 3 months' stability at 40°C. Similar results were obtained for pre-treated NHQ except only 3.5 months' stability at 18-25°C. Cell line samples in all media and concentrations tested were detected appropriately by the assay. Based on this first stage validation analytical study, cervical cells stored in NHQ are suitable for the Realtime HPV assay. There should be no reservations for inclusion of NHQ in any further validation and clinical performance evaluation of this assay. Copyright © 2017 The Authors. Published by Elsevier B.V. All rights reserved.

Motion simulator study of longitudinal stability requirements for large delta wing transport airplanes during approach and landing with stability augmentation systems failed

NASA Technical Reports Server (NTRS)

Snyder, C. T.; Fry, E. B.; Drinkwater, F. J., III; Forrest, R. D.; Scott, B. C.; Benefield, T. D.

1972-01-01

A ground-based simulator investigation was conducted in preparation for and correlation with an-flight simulator program. The objective of these studies was to define minimum acceptable levels of static longitudinal stability for landing approach following stability augmentation systems failures. The airworthiness authorities are presently attempting to establish the requirements for civil transports with only the backup flight control system operating. Using a baseline configuration representative of a large delta wing transport, 20 different configurations, many representing negative static margins, were assessed by three research test pilots in 33 hours of piloted operation. Verification of the baseline model to be used in the TIFS experiment was provided by computed and piloted comparisons with a well-validated reference airplane simulation. Pilot comments and ratings are included, as well as preliminary tracking performance and workload data.

Unfitted Two-Phase Flow Simulations in Pore-Geometries with Accurate

NASA Astrophysics Data System (ADS)

Heimann, Felix; Engwer, Christian; Ippisch, Olaf; Bastian, Peter

2013-04-01

The development of better macro scale models for multi-phase flow in porous media is still impeded by the lack of suitable methods for the simulation of such flow regimes on the pore scale. The highly complicated geometry of natural porous media imposes requirements with regard to stability and computational efficiency which current numerical methods fail to meet. Therefore, current simulation environments are still unable to provide a thorough understanding of porous media in multi-phase regimes and still fail to reproduce well known effects like hysteresis or the more peculiar dynamics of the capillary fringe with satisfying accuracy. Although flow simulations in pore geometries were initially the domain of Lattice-Boltzmann and other particle methods, the development of Galerkin methods for such applications is important as they complement the range of feasible flow and parameter regimes. In the recent past, it has been shown that unfitted Galerkin methods can be applied efficiently to topologically demanding geometries. However, in the context of two-phase flows, the interface of the two immiscible fluids effectively separates the domain in two sub-domains. The exact representation of such setups with multiple independent and time depending geometries exceeds the functionality of common unfitted methods. We present a new approach to pore scale simulations with an unfitted discontinuous Galerkin (UDG) method. Utilizing a recursive sub-triangulation algorithm, we extent the UDG method to setups with multiple independent geometries. This approach allows an accurate representation of the moving contact line and the interface conditions, i.e. the pressure jump across the interface. Example simulations in two and three dimensions illustrate and verify the stability and accuracy of this approach.

Research on simulation system with the wide range and high-precision laser energy characteristics

NASA Astrophysics Data System (ADS)

Dong, Ke-yan; Lou, Yan; He, Jing-yi; Tong, Shou-feng; Jiang, Hui-lin

2012-10-01

The Hardware-in-the-loop(HWIL) simulation test is one of the important parts for the development and performance testing of semi-active laser-guided weapons. In order to obtain accurate results, the confidence level of the target environment should be provided for a high-seeker during the HWIL simulation test of semi-active laser-guided weapons, and one of the important simulation parameters is the laser energy characteristic. In this paper, based on the semi-active laser-guided weapon guidance principles, an important parameter of simulation of confidence which affects energy characteristics in performance test of HWIL simulation was analyzed. According to the principle of receiving the same energy by using HWIL simulation and in practical application, HWIL energy characteristics simulation systems with the crystal absorption structure was designed. And on this basis, the problems of optimal design of the optical system were also analyzed. The measured results show that the dynamic attenuation range of the system energy is greater than 50dB, the dynamic attenuation stability is less than 5%, and the maximum energy changing rate driven by the servo motor is greater than 20dB/s.

nZVI injection into variably saturated soils: Field and modeling study

NASA Astrophysics Data System (ADS)

Chowdhury, Ahmed I. A.; Krol, Magdalena M.; Kocur, Christopher M.; Boparai, Hardiljeet K.; Weber, Kela P.; Sleep, Brent E.; O'Carroll, Denis M.

2015-12-01

Nano-scale zero valent iron (nZVI) has been used at a number of contaminated sites over the last decade. At most of these sites, significant decreases in contaminant concentrations have resulted from the application of nZVI. However, limited work has been completed investigating nZVI field-scale mobility. In this study, a field test was combined with numerical modeling to examine nZVI reactivity along with transport properties in variably saturated soils. The field test consisted of 142 L of carboxymethyle cellulose (CMC) stabilized monometallic nZVI synthesized onsite and injected into a variably saturated zone. Periodic groundwater samples were collected from the injection well, as well as, from two monitoring wells to analyze for chlorinated solvents and other geochemistry indicators. This study showed that CMC stabilized monometallic nZVI was able to decrease tricholorethene (TCE) concentrations in groundwater by more than 99% from the historical TCE concentrations. A three dimensional, three phase, finite difference numerical simulator, (CompSim) was used to further investigate nZVI and polymer transport at the variably saturated site. The model was able to accurately predict the field observed head data without parameter fitting. In addition, the numerical simulator estimated the mass of nZVI delivered to the saturated and unsaturated zones and distinguished the nZVI phase (i.e. aqueous or attached). The simulation results showed that the injected slurry migrated radially outward from the injection well, and therefore nZVI transport was governed by injection velocity and viscosity of the injected solution. A suite of sensitivity analyses was performed to investigate the impact of different injection scenarios (e.g. different volume and injection rate) on nZVI migration. Simulation results showed that injection of a higher nZVI volume delivered more iron particles at a given distance; however, the travel distance was not proportional to the increase in volume. Moreover, simulation results showed that using a 1D transport equation to simulate nZVI migration in the subsurface may overestimate the travel distance. This is because the 1D transport equation assumes a constant velocity while pore water velocity radially decreases from the well during injection. This study suggests that on-site synthesized nZVI particles are mobile in the subsurface and that a numerical simulator can be a valuable tool for optimal design of nZVI field applications.

Rapid Recovery of Clofazimine-Loaded Nanoparticles with Long-Term Storage Stability as Anti-Cryptosporidium Therapy.

PubMed

Feng, Jie; Zhang, Yingyue; McManus, Simon A; Ristroph, Kurt D; Lu, Hoang D; Gong, Kai; White, Claire E; Prud'homme, Robert K

2018-05-25

While the formulation of nanoparticle (NP) suspensions has been widely applied in materials and life science, the recovery of NPs from such a suspension into a solid state is practically important to confer long-term storage stability. However, solidification, while preserving the original nanoscale properties, remains a formidable challenge in the pharmaceutical and biomedical applications of NPs. Herein we combined flash nanoprecipitation (FNP) and spray-drying as a nanofabrication platform for NP formulation and recovery without compromising the dissolution kinetics of the active ingredient. Clofazimine was chosen to be the representative drug, which has been recently repurposed as a potential treatment for cryptosporidiosis. Clofazimine was encapsulated in NPs with low-cost surface coatings, hypromellose acetate succinate (HPMCAS) and lecithin, which were required by the ultimate application to global health. Spray-drying and lyophilization were utilized to produce dried powders with good long-term storage stability for application in hot and humid climatic zones. The particle morphology, yield efficiency, drug loading, and clofazimine crystallinity in the spray-dried powders were characterized. The in vitro release kinetics of spray-dried NP powders were compared to analogous dissolution profiles from standard lyophilized NP samples, crystalline clofazimine powder, and the commercially available formulation Lamprene. The spray-dried powders showed a supersaturation level of up to 60 times the equilibrium solubility and remarkably improved dissolution rates. In addition, the spray-dried powders with both surface coatings showed excellent stability during aging studies with elevated temperature and humidity, in view of the dissolution and release in vitro. Considering oral delivery for pediatric administration, the spray-dried powders show less staining effects with simulated skin than crystalline clofazimine and may be made into minitablets without additional excipients. These results highlight the potential of combining FNP and spray-drying as a feasible and versatile platform to design and rapidly recover amorphous NPs in a solid dosage form, with the advantages of satisfactory long-term storage stability, low cost, and easy scalability.

Development of Advanced Verification and Validation Procedures and Tools for the Certification of Learning Systems in Aerospace Applications

NASA Technical Reports Server (NTRS)

Jacklin, Stephen; Schumann, Johann; Gupta, Pramod; Richard, Michael; Guenther, Kurt; Soares, Fola

2005-01-01

Adaptive control technologies that incorporate learning algorithms have been proposed to enable automatic flight control and vehicle recovery, autonomous flight, and to maintain vehicle performance in the face of unknown, changing, or poorly defined operating environments. In order for adaptive control systems to be used in safety-critical aerospace applications, they must be proven to be highly safe and reliable. Rigorous methods for adaptive software verification and validation must be developed to ensure that control system software failures will not occur. Of central importance in this regard is the need to establish reliable methods that guarantee convergent learning, rapid convergence (learning) rate, and algorithm stability. This paper presents the major problems of adaptive control systems that use learning to improve performance. The paper then presents the major procedures and tools presently developed or currently being developed to enable the verification, validation, and ultimate certification of these adaptive control systems. These technologies include the application of automated program analysis methods, techniques to improve the learning process, analytical methods to verify stability, methods to automatically synthesize code, simulation and test methods, and tools to provide on-line software assurance.

46 CFR 78.17-22 - Verification of vessel compliance with applicable stability requirements.

Code of Federal Regulations, 2010 CFR

2010-10-01

... with all applicable stability requirements in the vessel's trim and stability book, stability letter... draft, trim, and stability must be determined as necessary and any stability calculations made in...

46 CFR 78.17-22 - Verification of vessel compliance with applicable stability requirements.

Code of Federal Regulations, 2011 CFR

2011-10-01

... with all applicable stability requirements in the vessel's trim and stability book, stability letter... draft, trim, and stability must be determined as necessary and any stability calculations made in...

Impact of amphiphilic molecules on the structure and stability of homogeneous sphingomyelin bilayer: Insights from atomistic simulations

NASA Astrophysics Data System (ADS)

Kumari, Pratibha; Kaur, Supreet; Sharma, Shobha; Kashyap, Hemant K.

2018-04-01

Modulation of lipid membrane properties due to the permeation of amphiphiles is an important biological process pertaining to many applications in the field of pharmaceutics, toxicology, and biotechnology. Sphingolipids are both structural and functional lipids that constitute an important component of mechanically stable and chemically resistant outer leaflets of plasma membranes. Here, we present an atomistic molecular dynamics simulation study to appreciate the concentration-dependent effects of small amphiphilic molecules, such as ethanol, acetone, and dimethyl sulfoxide (DMSO), on the structure and stability of a fully hydrated homogeneous N-palmitoyl-sphingomyelin (PSM) bilayer. The study reveals an increase in the lateral expansion of the bilayer along with disordering of the hydrophobic lipid tails on increasing the concentration of ethanol. At higher concentrations of ethanol, rupturing of the bilayer is quite evident through the analysis of partial electron density profiles and lipid tail order parameters. For ethanol containing systems, permeation of water molecules in the hydrophobic part of the bilayer is allowed through local defects made due to the entry of ethanol molecules via ethanol-ethanol and ethanol-PSM hydrogen bonds. Moreover, the extent of PSM-PSM hydrogen bonding decreases with increasing ethanol concentration. On the other hand, acetone and DMSO exhibit minimal effects on the stability of the PSM bilayer at their lower concentrations, but at higher concentrations they tend to enhance the stability of the bilayer. The simulated potential of mean force (PMF) profiles for the translocation of the three solutes studied reveal that the free-energy of transfer of an ethanol molecule across the PSM lipid head region is lower than that for acetone and DMSO molecules. However, highest free-energy rise in the core hydrophobic part of the bilayer is observed for the DMSO molecule, whereas the ethanol and acetone PMF profiles show a lower barrier in the hydrophobic region of the bilayer.

Flight control optimization from design to assessment application on the Cessna Citation X business aircraft =

NASA Astrophysics Data System (ADS)

Boughari, Yamina

New methodologies have been developed to optimize the integration, testing and certification of flight control systems, an expensive process in the aerospace industry. This thesis investigates the stability of the Cessna Citation X aircraft without control, and then optimizes two different flight controllers from design to validation. The aircraft's model was obtained from the data provided by the Research Aircraft Flight Simulator (RAFS) of the Cessna Citation business aircraft. To increase the stability and control of aircraft systems, optimizations of two different flight control designs were performed: 1) the Linear Quadratic Regulation and the Proportional Integral controllers were optimized using the Differential Evolution algorithm and the level 1 handling qualities as the objective function. The results were validated for the linear and nonlinear aircraft models, and some of the clearance criteria were investigated; and 2) the Hinfinity control method was applied on the stability and control augmentation systems. To minimize the time required for flight control design and its validation, an optimization of the controllers design was performed using the Differential Evolution (DE), and the Genetic algorithms (GA). The DE algorithm proved to be more efficient than the GA. New tools for visualization of the linear validation process were also developed to reduce the time required for the flight controller assessment. Matlab software was used to validate the different optimization algorithms' results. Research platforms of the aircraft's linear and nonlinear models were developed, and compared with the results of flight tests performed on the Research Aircraft Flight Simulator. Some of the clearance criteria of the optimized H-infinity flight controller were evaluated, including its linear stability, eigenvalues, and handling qualities criteria. Nonlinear simulations of the maneuvers criteria were also investigated during this research to assess the Cessna Citation X's flight controller clearance, and therefore, for its anticipated certification.

EC power management and NTM control in ITER

NASA Astrophysics Data System (ADS)

Poli, Francesca; Fredrickson, E.; Henderson, M.; Bertelli, N.; Farina, D.; Figini, L.; Nowak, S.; Poli, E.; Sauter, O.

2016-10-01

The suppression of Neoclassical Tearing Modes (NTMs) is an essential requirement for the achievement of the demonstration baseline in ITER. The Electron Cyclotron upper launcher is specifically designed to provide highly localized heating and current drive for NTM stabilization. In order to assess the power management for shared applications, we have performed time-dependent simulations for ITER scenarios covering operation from half to full field. The free-boundary TRANSP simulations evolve the magnetic equilibrium and the pressure profiles in response to the heating and current drive sources and are interfaced with a GRE for the evolution of size and frequency of the magnetic islands. Combined with a feedback control of the EC power and the steering angle, these simulations are used to model the plasma response to NTM control, accounting for the misalignment of the EC deposition with the resonant surfaces, uncertainties in the magnetic equilibrium reconstruction and in the magnetic island detection threshold. Simulations indicate that the threshold for detection of the island should not exceed 2-3cm, that pre-emptive control is a preferable option, and that for safe operation the power needed for NTM control should be reserved, rather than shared with other applications. Work supported by ITER under IO/RFQ/13/9550/JTR and by DOE under DE-AC02-09CH11466.

Exploring the Energy Landscapes of Protein Folding Simulations with Bayesian Computation

PubMed Central

Burkoff, Nikolas S.; Várnai, Csilla; Wells, Stephen A.; Wild, David L.

2012-01-01

Nested sampling is a Bayesian sampling technique developed to explore probability distributions localized in an exponentially small area of the parameter space. The algorithm provides both posterior samples and an estimate of the evidence (marginal likelihood) of the model. The nested sampling algorithm also provides an efficient way to calculate free energies and the expectation value of thermodynamic observables at any temperature, through a simple post processing of the output. Previous applications of the algorithm have yielded large efficiency gains over other sampling techniques, including parallel tempering. In this article, we describe a parallel implementation of the nested sampling algorithm and its application to the problem of protein folding in a Gō-like force field of empirical potentials that were designed to stabilize secondary structure elements in room-temperature simulations. We demonstrate the method by conducting folding simulations on a number of small proteins that are commonly used for testing protein-folding procedures. A topological analysis of the posterior samples is performed to produce energy landscape charts, which give a high-level description of the potential energy surface for the protein folding simulations. These charts provide qualitative insights into both the folding process and the nature of the model and force field used. PMID:22385859

Exploring the energy landscapes of protein folding simulations with Bayesian computation.

PubMed

Burkoff, Nikolas S; Várnai, Csilla; Wells, Stephen A; Wild, David L

2012-02-22

Nested sampling is a Bayesian sampling technique developed to explore probability distributions localized in an exponentially small area of the parameter space. The algorithm provides both posterior samples and an estimate of the evidence (marginal likelihood) of the model. The nested sampling algorithm also provides an efficient way to calculate free energies and the expectation value of thermodynamic observables at any temperature, through a simple post processing of the output. Previous applications of the algorithm have yielded large efficiency gains over other sampling techniques, including parallel tempering. In this article, we describe a parallel implementation of the nested sampling algorithm and its application to the problem of protein folding in a Gō-like force field of empirical potentials that were designed to stabilize secondary structure elements in room-temperature simulations. We demonstrate the method by conducting folding simulations on a number of small proteins that are commonly used for testing protein-folding procedures. A topological analysis of the posterior samples is performed to produce energy landscape charts, which give a high-level description of the potential energy surface for the protein folding simulations. These charts provide qualitative insights into both the folding process and the nature of the model and force field used. Copyright © 2012 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Elongation Factor-Tu (EF-Tu) proteins structural stability and bioinformatics in ancestral gene reconstruction

NASA Astrophysics Data System (ADS)

Dehipawala, Sunil; Nguyen, A.; Tremberger, G.; Cheung, E.; Schneider, P.; Lieberman, D.; Holden, T.; Cheung, T.

2013-09-01

A paleo-experimental evolution report on elongation factor EF-Tu structural stability results has provided an opportunity to rewind the tape of life using the ancestral protein sequence reconstruction modeling approach; consistent with the book of life dogma in current biology and being an important component in the astrobiology community. Fractal dimension via the Higuchi fractal method and Shannon entropy of the DNA sequence classification could be used in a diagram that serves as a simple summary. Results from biomedical gene research provide examples on the diagram methodology. Comparisons between biomedical genes such as EEF2 (elongation factor 2 human, mouse, etc), WDR85 in epigenetics, HAR1 in human specificity, DLG1 in cognitive skill, and HLA-C in mosquito bite immunology with EF Tu DNA sequences have accounted for the reported circular dichroism thermo-stability data systematically; the results also infer a relatively less volatility geologic time period from 2 to 3 Gyr from adaptation viewpoint. Comparison to Thermotoga maritima MSB8 and Psychrobacter shows that Thermus thermophilus HB8 EF-Tu calibration sequence could be an outlier, consistent with free energy calculation by NUPACK. Diagram methodology allows computer simulation studies and HAR1 shows about 0.5% probability from chimp to human in terms of diagram location, and SNP simulation results such as amoebic meningoencephalitis NAF1 suggest correlation. Extensions to the studies of the translation and transcription elongation factor sequences in Megavirus Chiliensis, Megavirus Lba and Pandoravirus show that the studied Pandoravirus sequence could be an outlier with the highest fractal dimension and lowest entropy, as compared to chicken as a deviant in the DNMT3A DNA methylation gene sequences from zebrafish to human and to the less than one percent probability in computer simulation using the HAR1 0.5% probability as reference. The diagram methodology would be useful in ancestral gene reconstruction studies in astrobiology and also be applicable to the study of point mutation in conformational thermostabilization research with Synchrotron based X-ray data for drug applications such as Parkinson's disease.

Adaptive fuzzy PID control of hydraulic servo control system for large axial flow compressor

NASA Astrophysics Data System (ADS)

Wang, Yannian; Wu, Peizhi; Liu, Chengtao

2017-09-01

To improve the stability of the large axial compressor, an efficient and special intelligent hydraulic servo control system is designed and implemented. The adaptive fuzzy PID control algorithm is used to control the position of the hydraulic servo cylinder steadily, which overcomes the drawback that the PID parameters should be adjusted based on the different applications. The simulation and the test results show that the system has a better dynamic property and a stable state performance.

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

Smith, R.; Harrison, D. E. Jr.

A variable time step integration algorithm for carrying out molecular dynamics simulations of atomic collision cascades is proposed which evaluates the interaction forces only once per time step. The algorithm is tested on some model problems which have exact solutions and is compared against other common methods. These comparisons show that the method has good stability and accuracy. Applications to Ar/sup +/ bombardment of Cu and Si show good accuracy and improved speed to the original method (D. E. Harrison, W. L. Gay, and H. M. Effron, J. Math. Phys. /bold 10/, 1179 (1969)).

Atomistic modeling and HAADF investigations of misfit and threading dislocations in GaSb/GaAs hetero-structures for applications in high electron mobility transistors

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

Ruterana, Pierre, E-mail: pierre.ruterana@ensicaen.fr; Wang, Yi, E-mail: pierre.ruterana@ensicaen.fr; Chen, Jun, E-mail: pierre.ruterana@ensicaen.fr

A detailed investigation on the misfit and threading dislocations at GaSb/GaAs interface has been carried out using molecular dynamics simulation and quantitative electron microscopy techniques. The sources and propagation of misfit dislocations have been elucidated. The nature and formation mechanisms of the misfit dislocations as well as the role of Sb on the stability of the Lomer configuration have been explained.

Merging magnetic droplets by a magnetic field pulse

NASA Astrophysics Data System (ADS)

Wang, Chengjie; Xiao, Dun; Liu, Yaowen

2018-05-01

Reliable manipulation of magnetic droplets is of immense importance for their applications in spin torque oscillators. Using micromagnetic simulations, we find that the antiphase precession state, which originates in the dynamic dipolar interaction effect, is a favorable stable state for two magnetic droplets nucleated at two identical nano-contacts. A magnetic field pulse can be used to destroy their stability and merge them into a big droplet. The merging process strongly depends on the pulse width as well as the pulse strength.

Theoretical and experimental analysis of the impacts of removable storage media and antivirus software on viral spread

NASA Astrophysics Data System (ADS)

Gan, Chenquan; Yang, Xiaofan

2015-05-01

In this paper, a new computer virus propagation model, which incorporates the effects of removable storage media and antivirus software, is proposed and analyzed. The global stability of the unique equilibrium of the model is independent of system parameters. Numerical simulations not only verify this result, but also illustrate the influences of removable storage media and antivirus software on viral spread. On this basis, some applicable measures for suppressing virus prevalence are suggested.

Magneto-rheological suspensions for improving ground vehicle's ride comfort, stability, and handling

NASA Astrophysics Data System (ADS)

Ahmadian, Mehdi

2017-10-01

A state-of-the-art discussion on the applications of magneto-rheological (MR) suspensions for improving ride comfort, handling, and stability in ground vehicles is discussed for both road and rail applications. A historical perspective on the discovery and engineering development of MR fluids is presented, followed by some of the common methods for modelling their non-Newtonian behaviour. The common modes of the MR fluids are discussed, along with the application of the fluid in valve mode for ground vehicles' dampers (or shock absorbers). The applications span across nearly all road vehicles, including automobiles, trains, semi-trucks, motorcycles, and even bicycles. For each type of vehicle, the results of some of the past studies is presented briefly, with reference to the originating study. It is discussed that Past experimental and modelling studies have indicated that MR suspensions provide clear advantages for ground vehicles that far surpasses the performance of passive suspension. For rail vehicles, the primary advantage is in terms of increasing the speed at which the onset of hunting occurs, whereas for road vehicles - mainly automobiles - the performance improvements are in terms of a better balance between vehicle ride, handling, and stability. To further elaborate on this point, a single-suspension model is used to develop an index-based approach for studying the compromise that is offered by vehicle suspensions, using the H2 optimisation approach. Evaluating three indices based on the sprung-mass acceleration, suspension rattlespace, and tyre deflection, it is clearly demonstrated that MR suspensions significantly improve road vehicle's ride comfort, stability, and handling in comparison with passive suspensions. For rail vehicles, the simulation results indicate that using MR suspensions with an on-off switching control can increase the speed at which the on-set of hunting occurs by as much as 50% to more than 300%.

Learning State Space Dynamics in Recurrent Networks

NASA Astrophysics Data System (ADS)

Simard, Patrice Yvon

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

Scoping candidate minerals for stabilization of arsenic-bearing solid residuals.

PubMed

Raghav, Madhumitha; Shan, Jilei; Sáez, A Eduardo; Ela, Wendell P

2013-12-15

Arsenic Crystallization Technology (ACT) is a potentially eco-friendly, effective technology for stabilization of arsenic-bearing solid residuals (ABSRs). The strategy is to convert ABSRs generated by water treatment facilities into minerals with a high arsenic capacity and long-term stability in mature, municipal solid waste landfills. Candidate minerals considered in this study include scorodite, arsenate hydroxyapatites, ferrous arsenates (symplesite-type minerals), tooeleite, and arsenated-schwertmannite. These minerals were evaluated as to ease of synthesis, applicability to use of iron-based ABSRs as a starting material, and arsenic leachability. The Toxicity Characteristic Leaching Procedure (TCLP) was used for preliminary assessment of candidate mineral leaching. Minerals that passed the TCLP and whose synthesis route was promising were subjected to a more aggressive leaching test using a simulated landfill leachate (SLL) solution. Scorodite and arsenate hydroxyapatites were not considered further because their synthesis conditions were not found to be favorable for general application. Tooeleite and silica-amended tooeleite showed high TCLP arsenic leaching and were also not investigated further. The synthesis process and leaching of ferrous arsenate and arsenated-schwertmannite were promising and of these, arsenated-schwertmannite was most stable during SLL testing. The latter two candidate minerals warrant synthesis optimization and more extensive testing. Copyright © 2013 Elsevier B.V. All rights reserved.

A single-ligand ultra-microporous MOF for precombustion CO2 capture and hydrogen purification

PubMed Central

Nandi, Shyamapada; De Luna, Phil; Daff, Thomas D.; Rother, Jens; Liu, Ming; Buchanan, William; Hawari, Ayman I.; Woo, Tom K.; Vaidhyanathan, Ramanathan

2015-01-01

Metal organic frameworks (MOFs) built from a single small ligand typically have high stability, are rigid, and have syntheses that are often simple and easily scalable. However, they are normally ultra-microporous and do not have large surface areas amenable to gas separation applications. We report an ultra-microporous (3.5 and 4.8 Å pores) Ni-(4-pyridylcarboxylate)2 with a cubic framework that exhibits exceptionally high CO2/H2 selectivities (285 for 20:80 and 230 for 40:60 mixtures at 10 bar, 40°C) and working capacities (3.95 mmol/g), making it suitable for hydrogen purification under typical precombustion CO2 capture conditions (1- to 10-bar pressure swing). It exhibits facile CO2 adsorption-desorption cycling and has CO2 self-diffusivities of ~3 × 10−9 m2/s, which is two orders higher than that of zeolite 13X and comparable to other top-performing MOFs for this application. Simulations reveal a high density of binding sites that allow for favorable CO2-CO2 interactions and large cooperative binding energies. Ultra-micropores generated by a small ligand ensures hydrolytic, hydrostatic stabilities, shelf life, and stability toward humid gas streams. PMID:26824055

Electric field stabilization of viscous liquid layers coating the underside of a surface

NASA Astrophysics Data System (ADS)

Anderson, Thomas G.; Cimpeanu, Radu; Papageorgiou, Demetrios T.; Petropoulos, Peter G.

2017-05-01

We investigate the electrostatic stabilization of a viscous thin film wetting the underside of a horizontal surface in the presence of an electric field applied parallel to the surface. The model includes the effect of bounding solid dielectric regions above and below the liquid-air system that are typically found in experiments. The competition between gravitational forces, surface tension, and the nonlocal effect of the applied electric field is captured analytically in the form of a nonlinear evolution equation. A semispectral solution strategy is employed to resolve the dynamics of the resulting partial differential equation. Furthermore, we conduct direct numerical simulations (DNS) of the Navier-Stokes equations using the volume-of-fluid methodology and assess the accuracy of the obtained solutions in the long-wave (thin-film) regime when varying the electric field strength from zero up to the point when complete stabilization occurs. We employ DNS to examine the limitations of the asymptotically derived behavior as the liquid layer thickness increases and find excellent agreement even beyond the regime of strict applicability of the asymptotic solution. Finally, the asymptotic and computational approaches are utilized to identify robust and efficient active control mechanisms allowing the manipulation of the fluid interface in light of engineering applications at small scales, such as mixing.

On the stability and dynamics of stochastic spiking neuron models: Nonlinear Hawkes process and point process GLMs

PubMed Central

Truccolo, Wilson

2017-01-01

Point process generalized linear models (PP-GLMs) provide an important statistical framework for modeling spiking activity in single-neurons and neuronal networks. Stochastic stability is essential when sampling from these models, as done in computational neuroscience to analyze statistical properties of neuronal dynamics and in neuro-engineering to implement closed-loop applications. Here we show, however, that despite passing common goodness-of-fit tests, PP-GLMs estimated from data are often unstable, leading to divergent firing rates. The inclusion of absolute refractory periods is not a satisfactory solution since the activity then typically settles into unphysiological rates. To address these issues, we derive a framework for determining the existence and stability of fixed points of the expected conditional intensity function (CIF) for general PP-GLMs. Specifically, in nonlinear Hawkes PP-GLMs, the CIF is expressed as a function of the previous spike history and exogenous inputs. We use a mean-field quasi-renewal (QR) approximation that decomposes spike history effects into the contribution of the last spike and an average of the CIF over all spike histories prior to the last spike. Fixed points for stationary rates are derived as self-consistent solutions of integral equations. Bifurcation analysis and the number of fixed points predict that the original models can show stable, divergent, and metastable (fragile) dynamics. For fragile models, fluctuations of the single-neuron dynamics predict expected divergence times after which rates approach unphysiologically high values. This metric can be used to estimate the probability of rates to remain physiological for given time periods, e.g., for simulation purposes. We demonstrate the use of the stability framework using simulated single-neuron examples and neurophysiological recordings. Finally, we show how to adapt PP-GLM estimation procedures to guarantee model stability. Overall, our results provide a stability framework for data-driven PP-GLMs and shed new light on the stochastic dynamics of state-of-the-art statistical models of neuronal spiking activity. PMID:28234899

On the stability and dynamics of stochastic spiking neuron models: Nonlinear Hawkes process and point process GLMs.

PubMed

Gerhard, Felipe; Deger, Moritz; Truccolo, Wilson

2017-02-01

Point process generalized linear models (PP-GLMs) provide an important statistical framework for modeling spiking activity in single-neurons and neuronal networks. Stochastic stability is essential when sampling from these models, as done in computational neuroscience to analyze statistical properties of neuronal dynamics and in neuro-engineering to implement closed-loop applications. Here we show, however, that despite passing common goodness-of-fit tests, PP-GLMs estimated from data are often unstable, leading to divergent firing rates. The inclusion of absolute refractory periods is not a satisfactory solution since the activity then typically settles into unphysiological rates. To address these issues, we derive a framework for determining the existence and stability of fixed points of the expected conditional intensity function (CIF) for general PP-GLMs. Specifically, in nonlinear Hawkes PP-GLMs, the CIF is expressed as a function of the previous spike history and exogenous inputs. We use a mean-field quasi-renewal (QR) approximation that decomposes spike history effects into the contribution of the last spike and an average of the CIF over all spike histories prior to the last spike. Fixed points for stationary rates are derived as self-consistent solutions of integral equations. Bifurcation analysis and the number of fixed points predict that the original models can show stable, divergent, and metastable (fragile) dynamics. For fragile models, fluctuations of the single-neuron dynamics predict expected divergence times after which rates approach unphysiologically high values. This metric can be used to estimate the probability of rates to remain physiological for given time periods, e.g., for simulation purposes. We demonstrate the use of the stability framework using simulated single-neuron examples and neurophysiological recordings. Finally, we show how to adapt PP-GLM estimation procedures to guarantee model stability. Overall, our results provide a stability framework for data-driven PP-GLMs and shed new light on the stochastic dynamics of state-of-the-art statistical models of neuronal spiking activity.

Dynamic remedial action scheme using online transient stability analysis

NASA Astrophysics Data System (ADS)

Shrestha, Arun

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

SHARP: A Spatially Higher-order, Relativistic Particle-in-cell Code

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

Shalaby, Mohamad; Broderick, Avery E.; Chang, Philip

Numerical heating in particle-in-cell (PIC) codes currently precludes the accurate simulation of cold, relativistic plasma over long periods, severely limiting their applications in astrophysical environments. We present a spatially higher-order accurate relativistic PIC algorithm in one spatial dimension, which conserves charge and momentum exactly. We utilize the smoothness implied by the usage of higher-order interpolation functions to achieve a spatially higher-order accurate algorithm (up to the fifth order). We validate our algorithm against several test problems—thermal stability of stationary plasma, stability of linear plasma waves, and two-stream instability in the relativistic and non-relativistic regimes. Comparing our simulations to exact solutionsmore » of the dispersion relations, we demonstrate that SHARP can quantitatively reproduce important kinetic features of the linear regime. Our simulations have a superior ability to control energy non-conservation and avoid numerical heating in comparison to common second-order schemes. We provide a natural definition for convergence of a general PIC algorithm: the complement of physical modes captured by the simulation, i.e., those that lie above the Poisson noise, must grow commensurately with the resolution. This implies that it is necessary to simultaneously increase the number of particles per cell and decrease the cell size. We demonstrate that traditional ways for testing for convergence fail, leading to plateauing of the energy error. This new PIC code enables us to faithfully study the long-term evolution of plasma problems that require absolute control of the energy and momentum conservation.« less

Electron Cyclotron power management for control of Neoclassical Tearing Modes in the ITER baseline scenario

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

Poli, Francesca M.; Fredrickson, Eric; Henderson, Mark A.

Time-dependent simulations are used to evolve plasma discharges in combination with a Modified Rutherford equation (MRE) for calculation of Neoclassical Tearing Mode (NTM) stability in response to Electron Cyclotron (EC) feedback control in ITER. The main application of this integrated approach is to support the development of control algorithms by analyzing the plasma response with physics-based models and to assess how uncertainties in the detection of the magnetic island and in the EC alignment affect the ability of the ITER EC system to fulfill its purpose. These simulations indicate that it is critical to detect the island as soon asmore » possible, before its size exceeds the EC deposition width, and that maintaining alignment with the rational surface within half of the EC deposition width is needed for stabilization and suppression of the modes, especially in the case of modes with helicity (2,1). A broadening of the deposition profile, for example due to wave scattering by turbulence fluctuations or not well aligned beams, could even be favorable in the case of the (2,1)-NTM, by relaxing an over-focussing of the EC beam and improving the stabilization at the mode onset. Pre-emptive control reduces the power needed for suppression and stabilization in the ITER baseline discharge to a maximum of 5 MW, which should be reserved and available to the Upper Launcher during the entire flattop phase. By assuming continuous triggering of NTMs, with pre-emptive control ITER would be still able to demonstrate a fusion gain of Q=10.« less

Electron cyclotron power management for control of neoclassical tearing modes in the ITER baseline scenario

NASA Astrophysics Data System (ADS)

Poli, F. M.; Fredrickson, E. D.; Henderson, M. A.; Kim, S.-H.; Bertelli, N.; Poli, E.; Farina, D.; Figini, L.

2018-01-01

Time-dependent simulations are used to evolve plasma discharges in combination with a modified Rutherford equation for calculation of neoclassical tearing mode (NTM) stability in response to electron cyclotron (EC) feedback control in ITER. The main application of this integrated approach is to support the development of control algorithms by analyzing the plasma response with physics-based models and to assess how uncertainties in the detection of the magnetic island and in the EC alignment affect the ability of the ITER EC system to fulfill its purpose. Simulations indicate that it is critical to detect the island as soon as possible, before its size exceeds the EC deposition width, and that maintaining alignment with the rational surface within half of the EC deposition width is needed for stabilization and suppression of the modes, especially in the case of modes with helicity (2, 1) . A broadening of the deposition profile, for example due to wave scattering by turbulence fluctuations or not well aligned beams, could even be favorable in the case of the (2, 1)- NTM, by relaxing an over-focussing of the EC beam and improving the stabilization at the mode onset. Pre-emptive control reduces the power needed for suppression and stabilization in the ITER baseline discharge to a maximum of 5 MW, which should be reserved and available to the upper launcher during the entire flattop phase. Assuming continuous triggering of NTMs, with pre-emptive control ITER would be still able to demonstrate a fusion gain of Q=10 .

Electron Cyclotron power management for control of Neoclassical Tearing Modes in the ITER baseline scenario

DOE PAGES

Poli, Francesca M.; Fredrickson, Eric; Henderson, Mark A.; ...

2017-09-21

Time-dependent simulations are used to evolve plasma discharges in combination with a Modified Rutherford equation (MRE) for calculation of Neoclassical Tearing Mode (NTM) stability in response to Electron Cyclotron (EC) feedback control in ITER. The main application of this integrated approach is to support the development of control algorithms by analyzing the plasma response with physics-based models and to assess how uncertainties in the detection of the magnetic island and in the EC alignment affect the ability of the ITER EC system to fulfill its purpose. These simulations indicate that it is critical to detect the island as soon asmore » possible, before its size exceeds the EC deposition width, and that maintaining alignment with the rational surface within half of the EC deposition width is needed for stabilization and suppression of the modes, especially in the case of modes with helicity (2,1). A broadening of the deposition profile, for example due to wave scattering by turbulence fluctuations or not well aligned beams, could even be favorable in the case of the (2,1)-NTM, by relaxing an over-focussing of the EC beam and improving the stabilization at the mode onset. Pre-emptive control reduces the power needed for suppression and stabilization in the ITER baseline discharge to a maximum of 5 MW, which should be reserved and available to the Upper Launcher during the entire flattop phase. By assuming continuous triggering of NTMs, with pre-emptive control ITER would be still able to demonstrate a fusion gain of Q=10.« less

Preformulation considerations for controlled release dosage forms. Part II. Selected candidate support.

PubMed

Chrzanowski, Frank

2008-01-01

Practical examples of preformulation support of the form selected for formulation development are provided using several drug substances (DSs). The examples include determination of the solubilities vs. pH particularly for the range pH 1 to 8 because of its relationship to gastrointestinal (GI) conditions and dissolution method development. The advantages of equilibrium solubility and trial solubility methods are described. The equilibrium method is related to detecting polymorphism and the trial solubility method, to simplifying difficult solubility problems. An example of two polymorphs existing in mixtures of DS is presented in which one of the forms is very unstable. Accelerating stability studies are used in conjunction with HPLC and quantitative X-ray powder diffraction (QXRD) to demonstrate the differences in chemical and polymorphic stabilities. The results from two model excipient compatibility methods are compared to determine which has better predictive accuracy for room temperature stability. A DSC (calorimetric) method and an isothermal stress with quantitative analysis (ISQA) method that simulates wet granulation conditions were compared using a 2 year room temperature sample set as reference. An example of a pH stability profile for understanding stability and extrapolating stability to other environments is provided. The pH-stability of omeprazole and lansoprazole, which are extremely unstable in acidic and even mildly acidic conditions, are related to the formulation of delayed release dosage forms and the resolution of the problem associated with free carboxyl groups from the enteric coating polymers reacting with the DSs. Dissolution method requirements for CR dosage forms are discussed. The applicability of a modified disintegration time (DT) apparatus for supporting CR dosage form development of a pH sensitive DS at a specific pH such as duodenal pH 5.6 is related. This method is applicable for DSs such as peptides, proteins, enzymes and natural products where physical observation can be used in place of a difficult to perform analytical method, saving resources and providing rapid preformulation support.

An efficient impedance method for induced field evaluation based on a stabilized Bi-conjugate gradient algorithm.

PubMed

Wang, Hua; Liu, Feng; Xia, Ling; Crozier, Stuart

2008-11-21

This paper presents a stabilized Bi-conjugate gradient algorithm (BiCGstab) that can significantly improve the performance of the impedance method, which has been widely applied to model low-frequency field induction phenomena in voxel phantoms. The improved impedance method offers remarkable computational advantages in terms of convergence performance and memory consumption over the conventional, successive over-relaxation (SOR)-based algorithm. The scheme has been validated against other numerical/analytical solutions on a lossy, multilayered sphere phantom excited by an ideal coil loop. To demonstrate the computational performance and application capability of the developed algorithm, the induced fields inside a human phantom due to a low-frequency hyperthermia device is evaluated. The simulation results show the numerical accuracy and superior performance of the method.

Rotorcraft system identification techniques for handling qualities and stability and control evaluation

NASA Technical Reports Server (NTRS)

Hall, W. E., Jr.; Gupta, N. K.; Hansen, R. S.

1978-01-01

An integrated approach to rotorcraft system identification is described. This approach consists of sequential application of (1) data filtering to estimate states of the system and sensor errors, (2) model structure estimation to isolate significant model effects, and (3) parameter identification to quantify the coefficient of the model. An input design algorithm is described which can be used to design control inputs which maximize parameter estimation accuracy. Details of each aspect of the rotorcraft identification approach are given. Examples of both simulated and actual flight data processing are given to illustrate each phase of processing. The procedure is shown to provide means of calibrating sensor errors in flight data, quantifying high order state variable models from the flight data, and consequently computing related stability and control design models.

Lattice Boltzmann Method for 3-D Flows with Curved Boundary

NASA Technical Reports Server (NTRS)

Mei, Renwei; Shyy, Wei; Yu, Dazhi; Luo, Li-Shi

2002-01-01

In this work, we investigate two issues that are important to computational efficiency and reliability in fluid dynamics applications of the lattice, Boltzmann equation (LBE): (1) Computational stability and accuracy of different lattice Boltzmann models and (2) the treatment of the boundary conditions on curved solid boundaries and their 3-D implementations. Three athermal 3-D LBE models (D3QI5, D3Ql9, and D3Q27) are studied and compared in terms of efficiency, accuracy, and robustness. The boundary treatment recently developed by Filippova and Hanel and Met et al. in 2-D is extended to and implemented for 3-D. The convergence, stability, and computational efficiency of the 3-D LBE models with the boundary treatment for curved boundaries were tested in simulations of four 3-D flows: (1) Fully developed flows in a square duct, (2) flow in a 3-D lid-driven cavity, (3) fully developed flows in a circular pipe, and (4) a uniform flow over a sphere. We found that while the fifteen-velocity 3-D (D3Ql5) model is more prone to numerical instability and the D3Q27 is more computationally intensive, the 63Q19 model provides a balance between computational reliability and efficiency. Through numerical simulations, we demonstrated that the boundary treatment for 3-D arbitrary curved geometry has second-order accuracy and possesses satisfactory stability characteristics.

Density of states-based design of metal oxide thin-film transistors for high mobility and superior photostability.

PubMed

Kim, Hyun-Suk; Park, Joon Seok; Jeong, Hyun-Kwang; Son, Kyoung Seok; Kim, Tae Sang; Seon, Jong-Baek; Lee, Eunha; Chung, Jae Gwan; Kim, Dae Hwan; Ryu, Myungkwan; Lee, Sang Yoon

2012-10-24

A novel method to design metal oxide thin-film transistor (TFT) devices with high performance and high photostability for next-generation flat-panel displays is reported. Here, we developed bilayer metal oxide TFTs, where the front channel consists of indium-zinc-oxide (IZO) and the back channel material on top of it is hafnium-indium-zinc-oxide (HIZO). Density-of-states (DOS)-based modeling and device simulation were performed in order to determine the optimum thickness ratio within the IZO/HIZO stack that results in the best balance between device performance and stability. As a result, respective values of 5 and 40 nm for the IZO and HIZO layers were determined. The TFT devices that were fabricated accordingly exhibited mobility values up to 48 cm(2)/(V s), which is much elevated compared to pure HIZO TFTs (∼13 cm(2)/(V s)) but comparable to pure IZO TFTs (∼59 cm(2)/(V s)). Also, the stability of the bilayer device (-1.18 V) was significantly enhanced compared to the pure IZO device (-9.08 V). Our methodology based on the subgap DOS model and simulation provides an effective way to enhance the device stability while retaining a relatively high mobility, which makes the corresponding devices suitable for ultradefinition, large-area, and high-frame-rate display applications.

A field-validated model for in situ transport of polymer-stabilized nZVI and implications for subsurface injection.

PubMed

Krol, Magdalena M; Oleniuk, Andrew J; Kocur, Chris M; Sleep, Brent E; Bennett, Peter; Xiong, Zhong; O'Carroll, Denis M

2013-07-02

Nanoscale zerovalent iron (nZVI) particles have significant potential to remediate contaminated source zones. However, the transport of these particles through porous media is not well understood, especially at the field scale. This paper describes the simulation of a field injection of carboxylmethyl cellulose (CMC) stabilized nZVI using a 3D compositional simulator, modified to include colloidal filtration theory (CFT). The model includes composition dependent viscosity and spatially and temporally variable velocity, appropriate for the simulation of push-pull tests (PPTs) with CMC stabilized nZVI. Using only attachment efficiency as a fitting parameter, model results were in good agreement with field observations when spatially variable viscosity effects on collision efficiency were included in the transport modeling. This implies that CFT-modified transport equations can be used to simulate stabilized nZVI field transport. Model results show that an increase in solution viscosity, resulting from injection of CMC stabilized nZVI suspension, affects nZVI mobility by decreasing attachment as well as changing the hydraulics of the system. This effect is especially noticeable with intermittent pumping during PPTs. Results from this study suggest that careful consideration of nZVI suspension formulation is important for optimal delivery of nZVI which can be facilitated with the use of a compositional simulator.

Flexible all-carbon photovoltaics with improved thermal stability

NASA Astrophysics Data System (ADS)

Tang, Chun; Ishihara, Hidetaka; Sodhi, Jaskiranjeet; Chen, Yen-Chang; Siordia, Andrew; Martini, Ashlie; Tung, Vincent C.

2015-04-01

The structurally robust nature of nanocarbon allotropes, e.g., semiconducting single-walled carbon nanotubes (SWCNTs) and C60s, makes them tantalizing candidates for thermally stable and mechanically flexible photovoltaic applications. However, C60s rapidly dissociate away from the basal of SWCNTs under thermal stimuli as a result of weak intermolecular forces that "lock up" the binary assemblies. Here, we explore use of graphene nanoribbons (GNRs) as geometrically tailored protecting layers to suppress the unwanted dissociation of C60s. The underlying mechanisms are explained using a combination of molecular dynamics simulations and transition state theory, revealing the temperature dependent disassociation of C60s from the SWCNT basal plane. Our strategy provides fundamental guidelines for integrating all-carbon based nano-p/n junctions with optimized structural and thermal stability. External quantum efficiency and output current-voltage characteristics are used to experimentally quantify the effectiveness of GNR membranes under high temperature annealing. Further, the resulting C60:SWCNT:GNR ternary composites display excellent mechanical stability, even after iterative bending tests.

Finding stability regions for preserving efficiency classification of variable returns to scale technology in data envelopment analysis

NASA Astrophysics Data System (ADS)

Zamani, P.; Borzouei, M.

2016-12-01

This paper addresses issue of sensitivity of efficiency classification of variable returns to scale (VRS) technology for enhancing the credibility of data envelopment analysis (DEA) results in practical applications when an additional decision making unit (DMU) needs to be added to the set being considered. It also develops a structured approach to assisting practitioners in making an appropriate selection of variation range for inputs and outputs of additional DMU so that this DMU be efficient and the efficiency classification of VRS technology remains unchanged. This stability region is simply specified by the concept of defining hyperplanes of production possibility set of VRS technology and the corresponding halfspaces. Furthermore, this study determines a stability region for the additional DMU within which, in addition to efficiency classification, the efficiency score of a specific inefficient DMU is preserved and also using a simulation method, a region in which some specific efficient DMUs become inefficient is provided.

Analytical studies on the instabilities of heterogeneous intelligent traffic flow

NASA Astrophysics Data System (ADS)

Ngoduy, D.

2013-10-01

It has been widely reported in literature that a small perturbation in traffic flow such as a sudden deceleration of a vehicle could lead to the formation of traffic jams without a clear bottleneck. These traffic jams are usually related to instabilities in traffic flow. The applications of intelligent traffic systems are a potential solution to reduce the amplitude or to eliminate the formation of such traffic instabilities. A lot of research has been conducted to theoretically study the effect of intelligent vehicles, for example adaptive cruise control vehicles, using either computer simulation or analytical method. However, most current analytical research has only applied to single class traffic flow. To this end, the main topic of this paper is to perform a linear stability analysis to find the stability threshold of heterogeneous traffic flow using microscopic models, particularly the effect of intelligent vehicles on heterogeneous (or multi-class) traffic flow instabilities. The analytical results will show how intelligent vehicle percentages affect the stability of multi-class traffic flow.

A method to determine residue-specific unfolded-state pKa values from analysis of stability changes in single mutant cycles.

PubMed

Shen, Jana K

2010-06-02

It is now widely recognized that the unfolded state of a protein in equilibrium with the native state under folding conditions may contain significant residual structures. However, due to technical difficulties residue-specific interactions in the unfolded state remain elusive. Here we introduce a method derived from the Wyman-Tanford theory to determine residue-specific pK(a)'s in the unfolded state. This method requires equilibrium stability measurements of the wild type and single-point mutants in which titrable residues are replaced with charge-neutral ones under two pH conditions. Application of the proposed approach reveals a highly depressed pK(a) for Asp8 in the unfolded state of the NTL9 protein. Knowledge of unfolded-state pK(a)'s enables quantitative estimation of the unfolded-state electrostatic effects on protein stability. It also provides valuable benchmarks for the improvement of force fields and validation of microscopic information from molecular dynamics simulations.

Consideration of critical axial properties of pristine and defected carbon nanotubes under compression.

PubMed

Ranjbartoreh, A R; Su, D; Wang, G

2012-06-01

Carbon nanotubes are hexagonally configured carbon atoms in cylindrical structures. Exceptionally high mechanical strength, electrical conductivity, surface area, thermal stability and optical transparency of carbon nanotubes outperformed other known materials in numerous advanced applications. However, their mechanical behaviors under practical loading conditions remain to be demonstrated. This study investigates the critical axial properties of pristine and defected single- and multi-walled carbon nanotubes under axial compression. Molecular dynamics simulation method has been employed to consider the destructive effects of Stone-Wales and atom vacancy defects on mechanical properties of armchair and zigzag carbon nanotubes under compressive loading condition. Armchair carbon nanotube shows higher axial stability than zigzag type. Increase in wall number leads to less susceptibility of multi-walled carbon nanotubes to defects and higher stability of them under axial compression. Atom vacancy defect reveals higher destructive effect than Stone-Wales defect on mechanical properties of carbon nanotubes. Critical axial strain of single-walled carbon nanotube declines by 67% and 26% due to atom vacancy and Stone-Wales defects.

All-atom Simulation of Amyloid Aggregates

NASA Astrophysics Data System (ADS)

Berhanu, Workalemahu M.; Alred, Erik J.; Bernhardt, Nathan A.; Hansmann, Ulrich H. E.

Molecular simulations are now commonly used to complement experiments in the investigation of amyloid formation and their role in human diseases. While various simulations based on enhanced sampling techniques are used in amyloid formation simulations, this article will focus on those using standard atomistic simulations to evaluate the stability of fibril models. Such studies explore the limitations that arise from the choice of force field or polymorphism; and explore the stability of in vivo and in vitro forms of Aβ fibril aggregates, and the role of heterologous seeding as a link between different amyloid diseases.

Advanced Environmental Barrier Coatings Development for Si-Based Ceramics

NASA Technical Reports Server (NTRS)

Zhu, Dong-Ming; Choi, R. Sung; Robinson, Raymond C.; Lee, Kang N.; Bhatt, Ramakrishna T.; Miller, Robert A.

2005-01-01

Advanced environmental barrier coating concepts based on multi-component HfO2 (ZrO2) and modified mullite systems are developed for monolithic Si3N4 and SiC/SiC ceramic matrix composite (CMC) applications. Comprehensive testing approaches were established using the water vapor cyclic furnace, high pressure burner rig and laser heat flux steam rig to evaluate the coating water vapor stability, cyclic durability, radiation and erosion resistance under simulated engine environments. Test results demonstrated the feasibility and durability of the environmental barrier coating systems for 2700 to 3000 F monolithic Si3N4 and SiC/SiC CMC component applications. The high-temperature-capable environmental barrier coating systems are being further developed and optimized in collaboration with engine companies for advanced turbine engine applications.

Applied Time Domain Stability Margin Assessment for Nonlinear Time-Varying Systems

NASA Technical Reports Server (NTRS)

Kiefer, J. M.; Johnson, M. D.; Wall, J. H.; Dominguez, A.

2016-01-01

The baseline stability margins for NASA's Space Launch System (SLS) launch vehicle were generated via the classical approach of linearizing the system equations of motion and determining the gain and phase margins from the resulting frequency domain model. To improve the fidelity of the classical methods, the linear frequency domain approach can be extended by replacing static, memoryless nonlinearities with describing functions. This technique, however, does not address the time varying nature of the dynamics of a launch vehicle in flight. An alternative technique for the evaluation of the stability of the nonlinear launch vehicle dynamics along its trajectory is to incrementally adjust the gain and/or time delay in the time domain simulation until the system exhibits unstable behavior. This technique has the added benefit of providing a direct comparison between the time domain and frequency domain tools in support of simulation validation. This technique was implemented by using the Stability Aerospace Vehicle Analysis Tool (SAVANT) computer simulation to evaluate the stability of the SLS system with the Adaptive Augmenting Control (AAC) active and inactive along its ascent trajectory. The gains for which the vehicle maintains apparent time-domain stability defines the gain margins, and the time delay similarly defines the phase margin. This method of extracting the control stability margins from the time-domain simulation is relatively straightforward and the resultant margins can be compared to the linearized system results. The sections herein describe the techniques employed to extract the time-domain margins, compare the results between these nonlinear and the linear methods, and provide explanations for observed discrepancies. The SLS ascent trajectory was simulated with SAVANT and the classical linear stability margins were evaluated at one second intervals. The linear analysis was performed with the AAC algorithm disabled to attain baseline stability margins. At each time point, the system was linearized about the current operating point using Simulink's built-in solver. Each linearized system in time was evaluated for its rigid-body gain margin (high frequency gain margin), rigid-body phase margin, and aero gain margin (low frequency gain margin) for each control axis. Using the stability margins derived from the baseline linearization approach, the time domain derived stability margins were determined by executing time domain simulations in which axis-specific incremental gain and phase adjustments were made to the nominal system about the expected neutral stability point at specific flight times. The baseline stability margin time histories were used to shift the system gain to various values around the zero margin point such that a precise amount of expected gain margin was maintained throughout flight. When assessing the gain margins, the gain was applied starting at the time point under consideration, thereafter following the variation in the margin found in the linear analysis. When assessing the rigid-body phase margin, a constant time delay was applied to the system starting at the time point under consideration. If the baseline stability margins were correctly determined via the linear analysis, the time domain simulation results should contain unstable behavior at certain gain and phase values. Examples will be shown from repeated simulations with variable added gain and phase lag. Faithfulness of margins calculated from the linear analysis to the nonlinear system will be demonstrated.

Simulation Of Seawater Intrusion With 2D And 3D Models: Nauru Island Case Study

NASA Astrophysics Data System (ADS)

Ghassemi, F.; Jakeman, A. J.; Jacobson, G.; Howard, K. W. F.

1996-03-01

With the advent of large computing capacities during the past few decades, sophisticated models have been developed for the simulation of seawater intrusion in coastal and island aquifers. Currently, several models are commercially available for the simulation of this problem. This paper describes the mathematical basis and application of the SUTRA and HST3D models to simulate seawater intrusion in Nauru Island, in the central Pacific Ocean. A comparison of the performance and limitations of these two models in simulating a real problem indicates that three-dimensional simulation of seawater intrusion with the HST3D model has the major advantage of being able to specify natural boundary conditions as well as pumping stresses. However, HST3D requires a small grid size and short time steps in order to maintain numerical stability and accuracy. These requirements lead to solution of a large set of linear equations that requires the availability of powerful computing facilities in terms of memory and computing speed. Combined results of the two simulation models indicate a safe pumping rate of 400 m3/d for the aquifer on Nauru Island, where additional fresh water is presently needed for the rehabilitation of mined-out land.

MAINTENANCE MANAGEMENT ACCOUNTING SYSTEM OF WASTE WATER DISPOSAL SYSTEMS

NASA Astrophysics Data System (ADS)

Hori, Michihiro; Tsuruta, Takashi; Kaito, Kiyoyuki; Kobayashi, Kiyoshi

Sewage works facilities consist of various assets groups. And there are many kinds of financial resources. In order to optimize the maintenance plan, and to secure the stability and sustainability of sewage works management, it is necessary to carry out financial simulation based on the life-cycle cost analysis. Furthermore, it is important to develop management accounting system that is interlinked with the financial accounting system, because many sewage administration bodies have their financial accounting systems as public enterprises. In this paper, a management accounting system, which is designed to provide basic information for asset management of sewage works facilities, is presented. Also the applicability of the management accounting system presented in this paper is examined through financial simulations.

Comparing the line broadened quasilinear model to Vlasov code

NASA Astrophysics Data System (ADS)

Ghantous, K.; Berk, H. L.; Gorelenkov, N. N.

2014-03-01

The Line Broadened Quasilinear (LBQ) model is revisited to study its predicted saturation level as compared with predictions of a Vlasov solver BOT [Lilley et al., Phys. Rev. Lett. 102, 195003 (2009) and M. Lilley, BOT Manual. The parametric dependencies of the model are modified to achieve more accuracy compared to the results of the Vlasov solver both in regards to a mode amplitude's time evolution to a saturated state and its final steady state amplitude in the parameter space of the model's applicability. However, the regions of stability as predicted by LBQ model and BOT are found to significantly differ from each other. The solutions of the BOT simulations are found to have a larger region of instability than the LBQ simulations.

Simulation of crossflow instability on a supersonic highly swept wing

NASA Technical Reports Server (NTRS)

Pruett, C. David

1995-01-01

A direct numerical simulation (DNS) algorithm has been developed and validated for use in the investigation of crossflow instability on supersonic swept wings, an application of potential relevance to the design of the High-Speed Civil Transport (HSCT). The algorithm is applied to the investigation of stationary crossflow instability on an infinitely long 77-degree swept wing in Mach 3.5 flow. The results of the DNS are compared with the predictions of linear parabolized stability equation (PSE) methodology. In-general, the DNS and PSE results agree closely in terms of modal growth rate, structure, and orientation angle. Although further validation is needed for large-amplitude (nonlinear) disturbances, the close agreement between independently derived methods offers preliminary validation of both DNS and PSE approaches.

Investigation of electronic and magnetic properties of FeS: First principle and Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Bouachraoui, Rachid; El Hachimi, Abdel Ghafour; Ziat, Younes; Bahmad, Lahoucine; Tahiri, Najim

2018-06-01

Electronic and magnetic properties of hexagonal Iron (II) Sulfide (hexagonal FeS) have been investigated by combining the Density functional theory (DFT) and Monte Carlo simulations (MCS). This compound is constituted by magnetic hexagonal lattice occupied by Fe2+ with spin state (S = 2). Based on ab initio method, we calculated the exchange coupling JFe-Fe between two magnetic atoms Fe-Fe in different directions. Also phase transitions, magnetic stability and magnetizations have been investigated in the framework of Monte Carlo simulations. Within this method, a second phase transition is observed at the Néel temperature TN = 450 K. This finding in good agreement with the reported data in the literature. The effect of the applied different parameters showed how can these parameters affect the critical temperature of this system. Moreover, we studied the density of states and found that the hexagonal FeS will be a promoting material for spintronic applications.

Molecular Dynamics, Monte Carlo Simulations, and Langevin Dynamics: A Computational Review

PubMed Central

Paquet, Eric; Viktor, Herna L.

2015-01-01

Macromolecular structures, such as neuraminidases, hemagglutinins, and monoclonal antibodies, are not rigid entities. Rather, they are characterised by their flexibility, which is the result of the interaction and collective motion of their constituent atoms. This conformational diversity has a significant impact on their physicochemical and biological properties. Among these are their structural stability, the transport of ions through the M2 channel, drug resistance, macromolecular docking, binding energy, and rational epitope design. To assess these properties and to calculate the associated thermodynamical observables, the conformational space must be efficiently sampled and the dynamic of the constituent atoms must be simulated. This paper presents algorithms and techniques that address the abovementioned issues. To this end, a computational review of molecular dynamics, Monte Carlo simulations, Langevin dynamics, and free energy calculation is presented. The exposition is made from first principles to promote a better understanding of the potentialities, limitations, applications, and interrelations of these computational methods. PMID:25785262

Development of a digital solar simulator based on full-bridge converter

NASA Astrophysics Data System (ADS)

Liu, Chen; Feng, Jian; Liu, Zhilong; Tong, Weichao; Ji, Yibo

2014-02-01

With the development of solar photovoltaic, distribution schemes utilized in power grid had been commonly application, and photovoltaic (PV) inverter is an essential equipment in grid. In this paper, a digital solar simulator based on full-bridge structure is presented. The output characteristic curve of system is electrically similar to silicon solar cells, which can greatly simplify research methods of PV inverter, improve the efficiency of research and development. The proposed simulator consists on a main control board based on TM320F28335, phase-shifted zero-voltage-switching (ZVS) DC-DC full-bridge converter and voltage and current sampling circuit, that allows emulating the voltage-current curve with the open-circuit voltage (Voc) of 900V and the short-circuit current (Isc) of 18A .When the system connected to a PV inverter, the inverter can quickly track from the open-circuit to the maximum power point and keep stability.

Steps Towards Understanding Large-scale Deformation of Gas Hydrate-bearing Sediments

NASA Astrophysics Data System (ADS)

Gupta, S.; Deusner, C.; Haeckel, M.; Kossel, E.

2016-12-01

Marine sediments bearing gas hydrates are typically characterized by heterogeneity in the gas hydrate distribution and anisotropy in the sediment-gas hydrate fabric properties. Gas hydrates also contribute to the strength and stiffness of the marine sediment, and any disturbance in the thermodynamic stability of the gas hydrates is likely to affect the geomechanical stability of the sediment. Understanding mechanisms and triggers of large-strain deformation and failure of marine gas hydrate-bearing sediments is an area of extensive research, particularly in the context of marine slope-stability and industrial gas production. The ultimate objective is to predict severe deformation events such as regional-scale slope failure or excessive sand production by using numerical simulation tools. The development of such tools essentially requires a careful analysis of thermo-hydro-chemo-mechanical behavior of gas hydrate-bearing sediments at lab-scale, and its stepwise integration into reservoir-scale simulators through definition of effective variables, use of suitable constitutive relations, and application of scaling laws. One of the focus areas of our research is to understand the bulk coupled behavior of marine gas hydrate systems with contributions from micro-scale characteristics, transport-reaction dynamics, and structural heterogeneity through experimental flow-through studies using high-pressure triaxial test systems and advanced tomographical tools (CT, ERT, MRI). We combine these studies to develop mathematical model and numerical simulation tools which could be used to predict the coupled hydro-geomechanical behavior of marine gas hydrate reservoirs in a large-strain framework. Here we will present some of our recent results from closely co-ordinated experimental and numerical simulation studies with an objective to capture the large-deformation behavior relevant to different gas production scenarios. We will also report on a variety of mechanically relevant test scenarios focusing on effects of dynamic changes in gas hydrate saturation, highly uneven gas hydrate distributions, focused fluid migration and gas hydrate production through depressurization and CO2 injection.

Stability of immobilization remediation of several amendments on cadmium contaminated soils as affected by simulated soil acidification.

PubMed

Guo, Fuyu; Ding, Changfeng; Zhou, Zhigao; Huang, Gaoxiang; Wang, Xingxiang

2018-06-04

Chemical immobilization is a practical approach to remediate heavy metal contamination in agricultural soils. However, the potential remobilization risks of immobilized metals are a major environmental concern, especially in acid rain zones. In the present study, changes in the immobilization efficiency of several amendments as affected by simulated soil acidification were investigated to evaluate the immobilization remediation stability of several amendments on two cadmium (Cd) contaminated soils. Amendments (hydrated lime, hydroxyapatite and biochar) effectively immobilized Cd, except for organic fertilizer, and their immobilizations were strongly decreased by the simulated soil acidification. The ratio of changes in CaCl 2 -extractable Cd: pH (△CaCl 2 -Cd/△pH) can represent the Cd remobilization risk of different amended soils. Hydroxyapatite and biochar had a stronger durable immobilizing effect than did hydrated lime, particularly in soil with a lower pH buffering capacity, which was further confirmed by the Cd concentration and accumulation in lettuce. These results can be attributed to that hydroxyapatite and biochar transformed greater proportions of exchangeable Cd to other more stable fractions than lime. After 48 weeks of incubation, in soil with a lower pH buffering capacity, the immobilization efficiencies of lime, hydroxyapatite, biochar and organic fertilizer in the deionized water group (pH 6.5) were 71.7%, 52.7%, 38.6% and 23.9%, respectively, and changed to 19.1%, 33.6%, 26.5% and 5.0%, respectively, in the simulated acid rain group (pH 2.5). The present study provides a simple method to preliminarily estimate the immobilization efficiency of amendments and predict their stability in acid rain regions before large-scale field application. In addition, hydrated lime is recommended to be combined with other acid-stable amendments (such as hydroxyapatite or biochar) to remediate heavy metal-contaminated agricultural soils in acid precipitation zones. Copyright © 2018 Elsevier Inc. All rights reserved.

Analysis of unsteady reacting flows and impact of chemistry description in Large Eddy Simulations of side-dump ramjet combustors

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

Roux, A.; Gicquel, L.Y.M.; Staffelbach, G.

2010-01-15

Among all the undesired phenomena observed in ramjet combustors, combustion instabilities are of foremost importance and predicting them using Large Eddy Simulation (LES) is an active research field. While acoustics are naturally captured by compressible LES provided that the proper boundary conditions are applied, combustion/chemistry modelling remains a critical issue and its impact on numerical predictions must still be assessed for complex applications. To do so, two different ramjet LES's are compared here. The first simulation is based on a standard one-step chemistry known to over-estimate the laminar flame speed in fuel rich conditions. The second simulation uses the samemore » scheme but introduces a correction of reaction rates for rich flames to match a detailed mechanism provided by Peters (1993). Even though the two chemical schemes are very similar and very few points burn in rich regimes, distinct limit-cycles are obtained with LES depending on which scheme is used. Results obtained with the standard one-step chemistry exhibit high frequency self-sustained oscillations. Multiple flame fronts are stabilized in the vicinity of the shear layer developing at the exit of the air inlets. When compared to the experiment, the fitted one-step scheme yields better predictions than the standard scheme. With the fitted scheme, the flame is detached from the air inlets and stabilizes in the regions identified in the experiment (Ristori et al. (2005), Heid and Ristori (2003), Heid and Ristori (2005), Ristori et al. (1999)). LES and experiments exhibit all main low-frequency modes including the first longitudinal acoustic mode. The high frequencies excited with the standard scheme are damped with the fitted scheme. The chemical scheme is found, for this ramjet burner, to have a strong impact on the predicted stability: approximate chemical schemes even in a limited range of equivalence ratio can lead to the occurence of non-physical combustion oscillations. (author)« less

Monte Carlo simulation of liquid bridge rupture: Application to lung physiology

NASA Astrophysics Data System (ADS)

Alencar, Adriano M.; Wolfe, Elie; Buldyrev, Sergey V.

2006-08-01

In the course of certain lung diseases, the surface properties and the amount of fluids coating the airways changes and liquid bridges may form in the small airways blocking the flow of air, impairing gas exchange. During inhalation, these liquid bridges may rupture due to mechanical instability and emit a discrete sound event called pulmonary crackle, which can be heard using a simple stethoscope. We hypothesize that this sound is a result of the acoustical release of energy that had been stored in the surface of liquid bridges prior to its rupture. We develop a lattice gas model capable of describing these phenomena. As a step toward modeling this process, we address a simpler but related problem, that of a liquid bridge between two planar surfaces. This problem has been analytically solved and we use this solution as a validation of the lattice gas model of the liquid bridge rupture. Specifically, we determine the surface free energy and critical stability conditions in a system containing a liquid bridge of volume Ω formed between two parallel planes, separated by a distance 2h , with a contact angle Θ using both Monte Carlo simulation of a lattice gas model and variational calculus based on minimization of the surface area with the volume and the contact angle constraints. In order to simulate systems with different contact angles, we vary the parameters between the constitutive elements of the lattice gas. We numerically and analytically determine the phase diagram of the system as a function of the dimensionless parameters hΩ-1/3 and Θ . The regions of this phase diagram correspond to the mechanical stability and thermodynamical stability of the liquid bridge. We also determine the conditions for the symmetrical versus asymmetrical rupture of the bridge. We numerically and analytically compute the release of free energy during rupture. The simulation results are in agreement with the analytical solution. Furthermore, we discuss the results in connection to the rupture of similar bridges that exist in diseased lungs.

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.

Numerical stabilization of entanglement computation in auxiliary-field quantum Monte Carlo simulations of interacting many-fermion systems.

PubMed

Broecker, Peter; Trebst, Simon

2016-12-01

In the absence of a fermion sign problem, auxiliary-field (or determinantal) quantum Monte Carlo (DQMC) approaches have long been the numerical method of choice for unbiased, large-scale simulations of interacting many-fermion systems. More recently, the conceptual scope of this approach has been expanded by introducing ingenious schemes to compute entanglement entropies within its framework. On a practical level, these approaches, however, suffer from a variety of numerical instabilities that have largely impeded their applicability. Here we report on a number of algorithmic advances to overcome many of these numerical instabilities and significantly improve the calculation of entanglement measures in the zero-temperature projective DQMC approach, ultimately allowing us to reach similar system sizes as for the computation of conventional observables. We demonstrate the applicability of this improved DQMC approach by providing an entanglement perspective on the quantum phase transition from a magnetically ordered Mott insulator to a band insulator in the bilayer square lattice Hubbard model at half filling.

Photocatalytic activity of attapulgite-TiO2-Ag3PO4 ternary nanocomposite for degradation of Rhodamine B under simulated solar irradiation

NASA Astrophysics Data System (ADS)

He, Hongcai; Jiang, Zhuolin; He, Zhaoling; Liu, Tao; Li, Enzhu; Li, Bao-Wen

2018-01-01

An excellent ternary composite photocatalyst consisting of silver orthophosphate (Ag3PO4), attapulgite (ATP), and TiO2 was synthesized, in which heterojunction was formed between dissimilar semiconductors to promote the separation of photo-generated charges. The ATP/TiO2/Ag3PO4 composite was characterized by SEM, XRD, and UV-vis diffuse reflectance spectroscopy. The co-deposition of Ag3PO4 and TiO2 nanoparticles onto the surface of ATP forms a lath-particle structure. Compared with composite photocatalysts consisting of two phases, ATP/TiO2/Ag3PO4 ternary composite exhibits greatly improved photocatalytic activity for degradation of rhodamine B under simulated solar irradiation. Such ternary composite not only improves the stability of Ag3PO4, but also lowers the cost by reducing application amount of Ag3PO4, which provides guidance for the design of Ag3PO4- and Ag-based composites for photocatalytic applications.

Modeling and fabrication of 4H-SiC Schottky junction

NASA Astrophysics Data System (ADS)

Martychowiec, A.; Pedryc, A.; Kociubiński, A.

2017-08-01

The rapidly growing demand for electronic devices requires using of alternative semiconductor materials, which could replace conventional silicon. Silicon carbide has been proposed for these harsh environment applications (high temperature, high voltage, high power conditions) because of its wide bandgap, its high temperature operation ability, its excellent thermal and chemical stability, and its high breakdown electric field strength. The Schottky barrier diode (SBD) is known as one of the best refined SiC devices. This paper presents prepared model, simulations and description of technology of 4H-SiC Schottky junction as well as characterization of fabricated structures. The future aim of the application of the structures is an optical detection of an ultraviolet radiation. The model section contains a comparison of two different solutions of SBD's construction. Simulations - as a crucial process of designing electronic devices - have been performed using the ATLAS device of Silvaco TCAD software. As a final result the paper shows I-V characteristics of fabricated diodes.

Analytical investigation of the dynamics of tethered constellations in Earth orbit, phase 2

NASA Technical Reports Server (NTRS)

Lorenzini, Enrico C.; Gullahorn, Gordon E.; Cosmo, Mario L.; Estes, Robert D.; Grossi, Mario D.

1994-01-01

This final report covers nine years of research on future tether applications and on the actual flights of the Small Expendable Deployment System (SEDS). Topics covered include: (1) a description of numerical codes used to simulate the orbital and attitude dynamics of tethered systems during station keeping and deployment maneuvers; (2) a comparison of various tethered system simulators; (3) dynamics analysis, conceptual design, potential applications and propagation of disturbances and isolation from noise of a variable gravity/microgravity laboratory tethered to the Space Station; (4) stability of a tethered space centrifuge; (5) various proposed two-dimensional tethered structures for low Earth orbit for use as planar array antennas; (6) tethered high gain antennas; (7) numerical calculation of the electromagnetic wave field on the Earth's surface on an electrodynamically tethered satellite; (8) reentry of tethered capsules; (9) deployment dynamics of SEDS-1; (10) analysis of SEDS-1 flight data; and (11) dynamics and control of SEDS-2.

The Use of Finite Element Analysis to Enhance Research and Clinical Practice in Orthopedics.

PubMed

Pfeiffer, Ferris M

2016-02-01

Finite element analysis (FEA) is a very powerful tool for the evaluation of biomechanics in orthopedics. Finite element (FE) simulations can effectively and efficiently evaluate thousands of variables (such as implant variation, surgical techniques, and various pathologies) to optimize design, screening, prediction, and treatment in orthopedics. Additionally, FEA can be used to retrospectively evaluate and troubleshoot complications or failures to prevent similar future occurrences. Finally, FE simulations are used to evaluate implants, procedures, and techniques in a time- and cost-effective manner. In this work, an overview of the development of FE models is provided and an example application is presented to simulate knee biomechanics for a specimen with medial meniscus insufficiency. FE models require the development of the geometry of interest, determination of the material properties of the tissues simulated, and an accurate application of a numerical solver to produce an accurate solution and representation of the field variables. The objectives of this work are to introduce the reader to the application of FEA in orthopedic analysis of the knee joint. A brief description of the model development process as well as a specific application to the investigation of knee joint stability in geometries with normal or compromised medial meniscal attachment is included. Significant increases in stretch of the anterior cruciate ligament were predicted in specimens with medial meniscus insufficiency (such behavior was confirmed in corresponding biomechanical testing). It can be concluded from this work that FE analysis of the knee can provide significant new information with which more effective clinical decisions can be made. Thieme Medical Publishers 333 Seventh Avenue, New York, NY 10001, USA.

Elucidating sequence and solvent specific design targets to protect and stabilize enzymes for biocatalysis in ionic liquids.

PubMed

Sprenger, K G; Plaks, J G; Kaar, J L; Pfaendtner, J

2017-07-05

For many different frameworks, the structure, function, and dynamics of an enzyme is largely determined by the nature of its interactions with the surrounding host environment, thus a molecular level understanding of enzyme/host interactions is essential to the design of new processes and applications. Ionic liquid (IL) solvents are a popular class of solvents in which to study enzyme behavior, yet it is still not possible to predict how a given enzyme will behave in a given IL solvent. Furthermore, a dearth of experimental data with which to evaluate simulation force fields has prevented the full integration of experimental and computational techniques to gain a complete picture of enzyme/IL interactions. Utilizing recently published crystallographic data of an enzyme in complex with an IL, this study aims to validate the use of current molecular force fields for studying enzyme/IL interactions, and to provide new mechanistic insight into enzyme stabilization in IL solvents. Classical molecular dynamics (MD) simulations have been performed on both the folded and unfolded state of Bacillus subtilis lipase A and a quadruple-mutant version of lipase A, in solutions of aqueous 1-butyl-3-methylimidazolium chloride. Results show classical MD simulations can predict the preferred surface binding locations of IL cations as well as reductions in IL anion binding to mutated surface residues with high accuracy. The results also point to a mechanistic difference between IL binding to the folded and unfolded state of an enzyme, which we call the "counter-ion effect". These findings could have important implications for future rational design efforts to stabilize enzymes in non-conventional media.

46 CFR 169.840 - Verification of vessel compliance with applicable stability requirements.

Code of Federal Regulations, 2011 CFR

2011-10-01

... that the vessel complies with all applicable stability requirements in the vessel's trim and stability... stability requirements the vessel's draft, trim, and stability must be determined as necessary and any...

46 CFR 196.15-7 - Verification of vessel compliance with applicable stability requirements.

Code of Federal Regulations, 2010 CFR

2010-10-01

... the vessel complies with all applicable stability requirements in the vessel's trim and stability book... requirements the vessel's draft, trim, and stability must be determined as necessary and any stability...

46 CFR 167.65-42 - Verification of vessel compliance with applicable stability requirements.

Code of Federal Regulations, 2011 CFR

2011-10-01

... that the vessel complies with all applicable stability requirements in the vessel's trim and stability... stability requirements the vessel's draft, trim, and stability must be determined as necessary and any...

46 CFR 169.840 - Verification of vessel compliance with applicable stability requirements.

Code of Federal Regulations, 2010 CFR

2010-10-01

... that the vessel complies with all applicable stability requirements in the vessel's trim and stability... stability requirements the vessel's draft, trim, and stability must be determined as necessary and any...

46 CFR 167.65-42 - Verification of vessel compliance with applicable stability requirements.

Code of Federal Regulations, 2010 CFR

2010-10-01

... that the vessel complies with all applicable stability requirements in the vessel's trim and stability... stability requirements the vessel's draft, trim, and stability must be determined as necessary and any...

46 CFR 196.15-7 - Verification of vessel compliance with applicable stability requirements.

Code of Federal Regulations, 2011 CFR

2011-10-01

... the vessel complies with all applicable stability requirements in the vessel's trim and stability book... requirements the vessel's draft, trim, and stability must be determined as necessary and any stability...

Design of an unified chassis controller for rollover prevention, manoeuvrability and lateral stability

NASA Astrophysics Data System (ADS)

Yoon, Jangyeol; Yim, Seongjin; Cho, Wanki; Koo, Bongyeong; Yi, Kyongsu

2010-11-01

This paper describes a unified chassis control (UCC) strategy to prevent vehicle rollover and improve both manoeuvrability and lateral stability. Since previous researches on rollover prevention are only focused on the reduction of lateral acceleration, the manoeuvrability and lateral stability cannot be guaranteed. For this reason, it is necessary to design a UCC controller to prevent rollover and improve lateral stability by integrating electronic stability control, active front steering and continuous damping control. This integration is performed through switching among several control modes and a simulation is performed to validate the proposed method. Simulation results indicate that a significant improvement in rollover prevention, manoeuvrability and lateral stability can be expected from the proposed UCC system.

Evaluation of total energy-rate feedback for glidescope tracking in wind shear

NASA Technical Reports Server (NTRS)

Belcastro, C. M.; Ostroff, A. J.

1986-01-01

Low-altitude wind shear is recognized as an infrequent but significant hazard to all aircraft during take-off and landing. A total energy-rate sensor, which is potentially applicable to this problem, has been developed for measuring specific total energy-rate of an airplane with respect to the air mass. This paper presents control system designs, with and without energy-rate feedback, for the approach to landing of a transport airplane through severe wind shear and gusts to evaluate application of this sensor. A system model is developed which incorporates wind shear dynamics equations with the airplance equations of motion, thus allowing the control systems to be analyzed under various wind shears. The control systems are designed using optimal output feedback and are analyzed using frequency domain control theory techniques. Control system performance is evaluated using a complete nonlinear simulation of the airplane and a severe wind shear and gust data package. The analysis and simulation results indicate very similar stability and performance characteristics for the two designs. An implementation technique for distributing the velocity gains between airspeed and ground speed in the simulation is also presented, and this technique is shown to improve the performance characteristics of both designs.

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

Fernandez, Carlos A.; Nune, Satish K.; Annapureddy, Harsha V.

Metal-organic frameworks (MOFs) have proved to be very attractive for applications including gas storage, separation, sensing and catalysis. In particular, CO2 separation from flue gas in post-combustion processes is one of the main focuses of research among the scientific community. One of the major issues that are preventing the successful commercialization of these novel materials (e.g., MgDOBDC and NiDOBDC) is their high affinity towards water that not only compromises gas sorption capacity but also the chemical stability. In this paper, we demonstrate a novel post-synthesis modification approach to modify MOFs towards increasing hydrophobic behavior and chemical stability against moisture withoutmore » compromising CO2 sorption capacity. Our approach consists of incorporating hydrophobic moieties on the external surface of the MOFs via physical adsorption. The rationale behind this concept is to increase the surface hydrophobicity in the porous materials without the need of introducing bulky functionalities inside the pore which compromises the sorption capacity toward other gases. This allows MOF interaction/sorption of CO2 molecules comparable to unmodified MOFs. We herein report preliminary results on three routinely studied MOF materials [MIL-101(Cr), MgDOBDC and NiDOBDC] demonstrating that the polymer-modified MOFs retain CO2 sorption capacity while reducing the water adsorption up to three times, respect to the un-modified materials, via an equilibrium effect. Furthermore, the water stability of the polymer-functionalized MOFs is significantly higher than the water stability of the bare material. Molecular dynamic simulations demonstrated that this equilibrium effect implies a fundamental and permanent change in the water sorption capacity of MOFs. This approach can also be employed to render moisture stability and selectivity to MOFs that find applications in gas separations, catalysis and sensing where water plays a critical role in compromising MOF performance and recyclability.« less

Coarse-grained simulations of protein-protein association: an energy landscape perspective.

PubMed

Ravikumar, Krishnakumar M; Huang, Wei; Yang, Sichun

2012-08-22

Understanding protein-protein association is crucial in revealing the molecular basis of many biological processes. Here, we describe a theoretical simulation pipeline to study protein-protein association from an energy landscape perspective. First, a coarse-grained model is implemented and its applications are demonstrated via molecular dynamics simulations for several protein complexes. Second, an enhanced search method is used to efficiently sample a broad range of protein conformations. Third, multiple conformations are identified and clustered from simulation data and further projected on a three-dimensional globe specifying protein orientations and interacting energies. Results from several complexes indicate that the crystal-like conformation is favorable on the energy landscape even if the landscape is relatively rugged with metastable conformations. A closer examination on molecular forces shows that the formation of associated protein complexes can be primarily electrostatics-driven, hydrophobics-driven, or a combination of both in stabilizing specific binding interfaces. Taken together, these results suggest that the coarse-grained simulations and analyses provide an alternative toolset to study protein-protein association occurring in functional biomolecular complexes. Copyright © 2012 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Coarse-Grained Simulations of Protein-Protein Association: An Energy Landscape Perspective

PubMed Central

Ravikumar, Krishnakumar M.; Huang, Wei; Yang, Sichun

2012-01-01

Understanding protein-protein association is crucial in revealing the molecular basis of many biological processes. Here, we describe a theoretical simulation pipeline to study protein-protein association from an energy landscape perspective. First, a coarse-grained model is implemented and its applications are demonstrated via molecular dynamics simulations for several protein complexes. Second, an enhanced search method is used to efficiently sample a broad range of protein conformations. Third, multiple conformations are identified and clustered from simulation data and further projected on a three-dimensional globe specifying protein orientations and interacting energies. Results from several complexes indicate that the crystal-like conformation is favorable on the energy landscape even if the landscape is relatively rugged with metastable conformations. A closer examination on molecular forces shows that the formation of associated protein complexes can be primarily electrostatics-driven, hydrophobics-driven, or a combination of both in stabilizing specific binding interfaces. Taken together, these results suggest that the coarse-grained simulations and analyses provide an alternative toolset to study protein-protein association occurring in functional biomolecular complexes. PMID:22947945

A practical laboratory study simulating the percutaneous lumbar transforaminal epidural injection: training model in fresh cadaveric sheep spine.

PubMed

Suslu, Husnu

2012-01-01

Laboratory training models are essential for developing and refining treatment skills before the clinical application of surgical and invasive procedures. A simple simulation model is needed for young trainees to learn how to handle instruments, and to perform safe lumbar transforaminal epidural injections. Our aim is to present a model of a fresh cadaveric sheep lumbar spine that simulates the lumbar transforaminal epidural injection. The material consists of a 2-year-old fresh cadaveric sheep spine. A 4-step approach was designed for lumbar transforaminal epidural injection under C-arm scopy. For the lumbar transforaminal epidural injection, the fluoroscope was adjusted to get a proper oblique view while the material was stabilized in a prone position. The procedure then begin, using the C-arm guidance scopy. The model simulates well the steps of standard lumbar transforaminal epidural injections in the human spine. The cadaveric sheep spine represents a good method for training and it simulates fluoroscopic lumbar transforaminal epidural steroid injection procedures performed in the human spine.

46 CFR 97.15-7 - Verification of vessel compliance with applicable stability requirements.

Code of Federal Regulations, 2011 CFR

2011-10-01

... applicable stability requirements in the vessel's trim and stability book, stability letter, Certificate of... the vessel's draft, trim, and stability must be determined as necessary. (c) If a log book is required...

46 CFR 97.15-7 - Verification of vessel compliance with applicable stability requirements.

Code of Federal Regulations, 2010 CFR

2010-10-01

... applicable stability requirements in the vessel's trim and stability book, stability letter, Certificate of... the vessel's draft, trim, and stability must be determined as necessary. (c) If a log book is required...

PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD Simulations.

PubMed

Scheurer, Maximilian; Rodenkirch, Peter; Siggel, Marc; Bernardi, Rafael C; Schulten, Klaus; Tajkhorshid, Emad; Rudack, Till

2018-02-06

Molecular dynamics (MD) simulations have become ubiquitous in all areas of life sciences. The size and model complexity of MD simulations are rapidly growing along with increasing computing power and improved algorithms. This growth has led to the production of a large amount of simulation data that need to be filtered for relevant information to address specific biomedical and biochemical questions. One of the most relevant molecular properties that can be investigated by all-atom MD simulations is the time-dependent evolution of the complex noncovalent interaction networks governing such fundamental aspects as molecular recognition, binding strength, and mechanical and structural stability. Extracting, evaluating, and visualizing noncovalent interactions is a key task in the daily work of structural biologists. We have developed PyContact, an easy-to-use, highly flexible, and intuitive graphical user interface-based application, designed to provide a toolkit to investigate biomolecular interactions in MD trajectories. PyContact is designed to facilitate this task by enabling identification of relevant noncovalent interactions in a comprehensible manner. The implementation of PyContact as a standalone application enables rapid analysis and data visualization without any additional programming requirements, and also preserves full in-program customization and extension capabilities for advanced users. The statistical analysis representation is interactively combined with full mapping of the results on the molecular system through the synergistic connection between PyContact and VMD. We showcase the capabilities and scientific significance of PyContact by analyzing and visualizing in great detail the noncovalent interactions underlying the ion permeation pathway of the human P2X 3 receptor. As a second application, we examine the protein-protein interaction network of the mechanically ultrastable cohesin-dockering complex. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

On the hydrothermal stability of Cu/SSZ-13 SCR catalysts

DOE PAGES

Gao, Feng; Szanyi, Janos

2018-05-07

Cu/SSZ-13 SCR catalysts have been extensively studied in the past decade or so. Hydrothermal stability of these catalysts has been identified as the most important criterion for application. In this perspective, we describe recent atomic-level understanding of their hydrothermal stability. In particular, electron paramagnetic resonance (EPR) is shown to rather accurately quantify isolated Cu(II) ions and CuO clusters in fresh and aged catalysts to demonstrate the remarkable hydrothermal stability for Cu 2+ ions located in 6-membered ring windows, and the conversion of [Cu(OH)] + ions in Chabazite cages to CuO clusters. The hydrothermal stability difference of the two isolated Cu(II)more » ions is confirmed with DFT simulations and the conversion of [Cu(OH)] + to CuO is proposed to involve formation, migration and condensation of Cu(OH) 2 intermediates. The structural destructive role of CuO clusters is attributed to mesopore formation from their migration, which more severely damages the catalysts than dealumination. Lastly, perspectives are given on new strategies for low-temperature NO x removal, rational design and refinement of Cu/SSZ-13, and development of new Cu/zeolite SCR catalysts with even better performance than the state-of-the-art Cu/SSZ-13.« less

On the hydrothermal stability of Cu/SSZ-13 SCR catalysts

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

Gao, Feng; Szanyi, Janos

Cu/SSZ-13 SCR catalysts have been extensively studied in the past decade or so. Hydrothermal stability of these catalysts has been identified as the most important criterion for application. In this perspective, we describe recent atomic-level understanding of their hydrothermal stability. In particular, electron paramagnetic resonance (EPR) is shown to rather accurately quantify isolated Cu(II) ions and CuO clusters in fresh and aged catalysts to demonstrate the remarkable hydrothermal stability for Cu 2+ ions located in 6-membered ring windows, and the conversion of [Cu(OH)] + ions in Chabazite cages to CuO clusters. The hydrothermal stability difference of the two isolated Cu(II)more » ions is confirmed with DFT simulations and the conversion of [Cu(OH)] + to CuO is proposed to involve formation, migration and condensation of Cu(OH) 2 intermediates. The structural destructive role of CuO clusters is attributed to mesopore formation from their migration, which more severely damages the catalysts than dealumination. Lastly, perspectives are given on new strategies for low-temperature NO x removal, rational design and refinement of Cu/SSZ-13, and development of new Cu/zeolite SCR catalysts with even better performance than the state-of-the-art Cu/SSZ-13.« less

Identification and simulation evaluation of an AH-64 helicopter hover math model

NASA Technical Reports Server (NTRS)

Schroeder, J. A.; Watson, D. C.; Tischler, M. B.; Eshow, M. M.

1991-01-01

Frequency-domain parameter-identification techniques were used to develop a hover mathematical model of the AH-64 Apache helicopter from flight data. The unstable AH-64 bare-airframe characteristics without a stability-augmentation system were parameterized in the convectional stability-derivative form. To improve the model's vertical response, a simple transfer-function model approximating the effects of dynamic inflow was developed. Additional subcomponents of the vehicle were also modeled and simulated, such as a basic engine response for hover and the vehicle stick dynamic characteristics. The model, with and without stability augmentation, was then evaluated by AH-64 pilots in a moving-base simulation. It was the opinion of the pilots that the simulation was a satisfactory representation of the aircraft for the tasks of interest. The principal negative comment was that height control was more difficult in the simulation than in the aircraft.

Investigating the effect of mutation on the thermo stability of GB1 protein

NASA Astrophysics Data System (ADS)

Sawitri, K. N.; Sumaryada, T.; Ambarsari, L.; Wahyudi, S. T.

2018-04-01

The thermo stability of wild-type and mutants of the B1 domain of Protein G (GB1 protein) have been studied using molecular dynamics simulation and free energy perturbation simulation. This research is aimed to examine what residue or what interaction that has a major role in the thermo stability of GB1 protein thermo stability by using the point mutation method. Based on the analysis, the unfolding of wild-type protein occurred in 500 K simulation at 704 ps. The mutations were chosen based on the changes in some analysis parameters and the calculated net solvation free energy change. It was found that a simple replacement of a positively charged residue in the β-sheet (K4S) decreases the stability of GB1 protein (unfolding at 452 ps), while the replacement of a negatively charged residue in the α-helix (E27G) increases the stability (unfolding at 846 ps). It was also found that the K4A mutation will break the α-helix and all β-sheet into the coil and turn. All those results suggest that the non-bonded interaction has the major role in the thermo stability of GB1 protein with the β-sheets were identified as the most important structure in the thermo stability of GB1 protein..

Unfolding stabilities of two structurally similar proteins as probed by temperature-induced and force-induced molecular dynamics simulations.

PubMed

Gorai, Biswajit; Prabhavadhni, Arasu; Sivaraman, Thirunavukkarasu

2015-09-01

Unfolding stabilities of two homologous proteins, cardiotoxin III and short-neurotoxin (SNTX) belonging to three-finger toxin (TFT) superfamily, have been probed by means of molecular dynamics (MD) simulations. Combined analysis of data obtained from steered MD and all-atom MD simulations at various temperatures in near physiological conditions on the proteins suggested that overall structural stabilities of the two proteins were different from each other and the MD results are consistent with experimental data of the proteins reported in the literature. Rationalization for the differential structural stabilities of the structurally similar proteins has been chiefly attributed to the differences in the structural contacts between C- and N-termini regions in their three-dimensional structures, and the findings endorse the 'CN network' hypothesis proposed to qualitatively analyse the thermodynamic stabilities of proteins belonging to TFT superfamily of snake venoms. Moreover, the 'CN network' hypothesis has been revisited and the present study suggested that 'CN network' should be accounted in terms of 'structural contacts' and 'structural strengths' in order to precisely describe order of structural stabilities of TFTs.

Molecular simulation study of cavity-generated instabilities in the superheated Lennard-Jones liquid

NASA Astrophysics Data System (ADS)

Torabi, Korosh; Corti, David S.

2010-10-01

Previous equilibrium-based density-functional theory (DFT) analyses of cavity formation in the pure component superheated Lennard-Jones (LJ) liquid [S. Punnathanam and D. S. Corti, J. Chem. Phys. 119, 10224 (2003); M. J. Uline and D. S. Corti, Phys. Rev. Lett. 99, 076102 (2007)] revealed that a thermodynamic limit of stability appears in which no liquidlike density profile can develop for cavity radii greater than some critical size (being a function of temperature and bulk density). The existence of these stability limits was also verified using isothermal-isobaric Monte Carlo (MC) simulations. To test the possible relevance of these limits of stability to a dynamically evolving system, one that may be important for homogeneous bubble nucleation, we perform isothermal-isobaric molecular dynamics (MD) simulations in which cavities of different sizes are placed within the superheated LJ liquid. When the impermeable boundary utilized to generate a cavity is removed, the MD simulations show that the cavity collapses and the overall density of the system remains liquidlike, i.e., the system is stable, when the initial cavity radius is below some certain value. On the other hand, when the initial radius is large enough, the cavity expands and the overall density of the system rapidly decreases toward vaporlike densities, i.e., the system is unstable. Unlike the DFT predictions, however, the transition between stability and instability is not infinitely sharp. The fraction of initial configurations that generate an instability (or a phase separation) increases from zero to unity as the initial cavity radius increases over a relatively narrow range of values, which spans the predicted stability limit obtained from equilibrium MC simulations. The simulation results presented here provide initial evidence that the equilibrium-based stability limits predicted in the previous DFT and MC simulation studies may play some role, yet to be fully determined, in the homogeneous nucleation and growth of embryos within metastable fluids.

Computational reduction strategies for the detection of steady bifurcations in incompressible fluid-dynamics: Applications to Coanda effect in cardiology

NASA Astrophysics Data System (ADS)

Pitton, Giuseppe; Quaini, Annalisa; Rozza, Gianluigi

2017-09-01

We focus on reducing the computational costs associated with the hydrodynamic stability of solutions of the incompressible Navier-Stokes equations for a Newtonian and viscous fluid in contraction-expansion channels. In particular, we are interested in studying steady bifurcations, occurring when non-unique stable solutions appear as physical and/or geometric control parameters are varied. The formulation of the stability problem requires solving an eigenvalue problem for a partial differential operator. An alternative to this approach is the direct simulation of the flow to characterize the asymptotic behavior of the solution. Both approaches can be extremely expensive in terms of computational time. We propose to apply Reduced Order Modeling (ROM) techniques to reduce the demanding computational costs associated with the detection of a type of steady bifurcations in fluid dynamics. The application that motivated the present study is the onset of asymmetries (i.e., symmetry breaking bifurcation) in blood flow through a regurgitant mitral valve, depending on the Reynolds number and the regurgitant mitral valve orifice shape.

3D Graphene-Infused Polyimide with Enhanced Electrothermal Performance for Long-Term Flexible Space Applications.

PubMed

Loeblein, Manuela; Bolker, Asaf; Tsang, Siu Hon; Atar, Nurit; Uzan-Saguy, Cecile; Verker, Ronen; Gouzman, Irina; Grossman, Eitan; Teo, Edwin Hang Tong

2015-12-22

Polyimides (PIs) have been praised for their high thermal stability, high modulus of elasticity and tensile strength, ease of fabrication, and moldability. They are currently the standard choice for both substrates for flexible electronics and space shielding, as they render high temperature and UV stability and toughness. However, their poor thermal conductivity and completely electrically insulating characteristics have caused other limitations, such as thermal management challenges for flexible high-power electronics and spacecraft electrostatic charging. In order to target these issues, a hybrid of PI with 3D-graphene (3D-C), 3D-C/PI, is developed here. This composite renders extraordinary enhancements of thermal conductivity (one order of magnitude) and electrical conductivity (10 orders of magnitude). It withstands and keeps a stable performance throughout various bending and thermal cycles, as well as the oxidative and aggressive environment of ground-based, simulated space environments. This makes this new hybrid film a suitable material for flexible space applications. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Additive noise-induced Turing transitions in spatial systems with application to neural fields and the Swift Hohenberg equation

NASA Astrophysics Data System (ADS)

Hutt, Axel; Longtin, Andre; Schimansky-Geier, Lutz

2008-05-01

This work studies the spatio-temporal dynamics of a generic integral-differential equation subject to additive random fluctuations. It introduces a combination of the stochastic center manifold approach for stochastic differential equations and the adiabatic elimination for Fokker-Planck equations, and studies analytically the systems’ stability near Turing bifurcations. In addition two types of fluctuation are studied, namely fluctuations uncorrelated in space and time, and global fluctuations, which are constant in space but uncorrelated in time. We show that the global fluctuations shift the Turing bifurcation threshold. This shift is proportional to the fluctuation variance. Applications to a neural field equation and the Swift-Hohenberg equation reveal the shift of the bifurcation to larger control parameters, which represents a stabilization of the system. All analytical results are confirmed by numerical simulations of the occurring mode equations and the full stochastic integral-differential equation. To gain some insight into experimental manifestations, the sum of uncorrelated and global additive fluctuations is studied numerically and the analytical results on global fluctuations are confirmed qualitatively.

Development of Advanced Environmental Barrier Coatings for SiC/SiC Composites at NASA GRC: Prime-Reliant Design and Durability Perspectives

NASA Technical Reports Server (NTRS)

Zhu, Dongming

2017-01-01

Environmental barrier coatings (EBCs) are considered technologically important because of the critical needs and their ability to effectively protect the turbine hot-section SiC/SiC ceramic matrix composite (CMC) components in harsh engine combustion environments. The development of NASA's advanced environmental barrier coatings have been aimed at significantly improved the coating system temperature capability, stability, erosion-impact, and CMAS resistance for SiC/SiC turbine airfoil and combustors component applications. The NASA environmental barrier coating developments have also emphasized thermo-mechanical creep and fatigue resistance in simulated engine heat flux and environments. Experimental results and models for advanced EBC systems will be presented to help establishing advanced EBC composition design methodologies, performance modeling and life predictions, for achieving prime-reliant, durable environmental coating systems for 2700-3000 F engine component applications. Major technical barriers in developing environmental barrier coating systems and the coating integration with next generation composites having further improved temperature capability, environmental stability, EBC-CMC fatigue-environment system durability will be discussed.

On-surface synthesis: a promising strategy toward the encapsulation of air unstable ultra-thin 2D materials.

PubMed

Li, Qiang; Zhao, Yinghe; Guo, Jiyuan; Zhou, Qionghua; Chen, Qian; Wang, Jinlan

2018-02-22

2D black phosphorus (BP) and transition metal chalcogenides (TMCs) have beneficial electronic, optical, and physical properties at the few-layer limit. However, irreversible degradation of exfoliated or chemical vapor deposition-grown ultrathin BP and TMCs like GaSe via oxidation under ambient conditions limits their applications. Herein, the on-surface growth of an oxidation-resistant 2D thin film of a metal coordination polymer is demonstrated by multiscale simulations. We show that the preparation of such heterostructures can be conducted in solution, in which pristine BP and GaSe present better stability than in an air environment. Our calculations reveal that the interaction between the polymer layer and 2D materials is dominated by van der Waals forces; thus, the electronic properties of pristine BP and GaSe are well preserved. Meanwhile, the isolation from oxygen and water can be achieved by monolayer polymers, due to the nature of their close-packed layers. Our facile strategy for enhancing the environmental stability of ultrathin materials is expected to accelerate efforts to implement 2D materials in electronic and optoelectronic applications.

Transonic aeroelastic analysis of launch vehicle configurations. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Filgueirasdeazevedo, Joao Luiz

1988-01-01

A numerical study of the aeroelastic stability of typical launch vehicle configurations in transonic flight is performed. Recent computational fluid dynamics techniques are used to simulate the transonic aerodynamic flow fields, as opposed to relying on experimental data for the unsteady aerodynamic pressures. The flow solver is coupled to an appropriate structural representation of the vehicle. The aerodynamic formulation is based on the thin layer approximation to the Reynolds-Averaged Navier-Stokes equations, where the account for turbulent mixing is done by the two-layer Baldwin and Lomax algebraic eddy viscosity model. The structural-dynamic equations are developed considering free-free flexural vibration of an elongated beam with variable properties and are cast in modal form. Aeroelastic analyses are performed by integrating simultaneously in the two sets of equations. By tracing the growth or decay of a perturbed oscillation, the aeroelastic stability of a given constant configuration can be ascertained. The method is described in detail, and results that indicate its application are presented. Applications include some validation cases for the algorithm developed, as well as the study of configurations known to have presented flutter programs in the past.

New solvent-stabilized few-layer black phosphorus for antibacterial applications.

PubMed

Sun, Zhenyu; Zhang, Yuqin; Yu, Hao; Yan, Chao; Liu, Yongchao; Hong, Song; Tao, Hengcong; Robertson, Alex W; Wang, Zhuo; Pádua, Agílio A H

2018-06-22

Discovering highly efficient, environmentally friendly, and low-cost exfoliating media that can both disperse and protect black phosphorus (BP) remains a challenge. Herein, we demonstrate such a new molecule, N,N'-dimethylpropyleneurea (DMPU), for effective exfoliation and dispersion of two-dimensional BP nanosheets. A very high exfoliation efficiency of up to 16% was achieved in DMPU, significantly surpassing other good solvents. Exfoliated flakes are free from structural disorder or oxidation. Nanosheets retain high stability in DMPU even after addition of 25 vol% of common solvents. The solvation shell appears to protect the nanosheets from reacting with water and air, more remarkably than the best solvent N-cyclohexyl-2-pyrrolidone reported so far. Molecular dynamics simulations of the exfoliation process show that DMPU is among the effective solvents, although energetically it does not appear as favorable as some other amides. We also demonstrate that our exfoliated BP nanosheets exhibit excellent antimicrobial activities against both Escherichia coli and Staphylococcus aureus, outperforming other common two-dimensional materials of graphene and MoS2, suggesting promise in biomedical applications.

The effect of simulated acid rain on the stabilization of cadmium in contaminated agricultural soils treated with stabilizing agents.

PubMed

Zhu, Hao; Wu, Chunfa; Wang, Jun; Zhang, Xumei

2018-04-16

Stabilization technology is one of widely used remediation technologies for cadmium (Cd)-contaminated agricultural soils, but stabilized Cd in soil may be activated again when external conditions such as acid rain occurred. Therefore, it is necessary to study the effect of acid rain on the performance of different stabilizing agents on Cd-polluted agriculture soils. In this study, Cd-contaminated soils were treated with mono-calcium phosphate (MCP), mono-ammonium phosphate (MAP), and artificial zeolite (AZ) respectively and incubated 3 months. These treatments were followed by two types of simulated acid rain (sulfuric acid rain and mixed acid rain) with three levels of acidity (pH = 3.0, 4.0, and 5.6). The chemical forms of Cd in the soils were determined by Tessier's sequential extraction procedure, and the leaching toxicities of Cd in the soils were assessed by toxicity characteristic leaching procedure (TCLP). The results show that the three stabilizing agents could decrease the mobility of Cd in soil to some degree with or without simulated acid rain (SAR) treatment. The stabilization performances followed the order of AZ < MAP < MCP. Acid rain soaking promoted the activation of Cd in stabilized soil, and both anion composition and pH of acid rain were two important factors that influenced the stabilization effect of Cd.

Design and development of compact monitoring system for disaster remote health centres.

PubMed

Santhi, S; Sadasivam, G S

2015-02-01

To enhance speedy communication between the patient and the doctor through newly proposed routing protocol at the mobile node. The proposed model is applied for a telemedicine application during disaster recovery management. In this paper, Energy Efficient Link Stability Routing Protocol (EELSRP) has been developed by simulation and real time. This framework is designed for the immediate healing of affected persons in remote areas, especially at the time of the disaster where there is no hospital proximity. In case of disasters, there might be an outbreak of infectious diseases. In such cases, the patient's medical record is also transferred by the field operator from disaster place to the hospital to facilitate the identification of the disease-causing agent and to prescribe the necessary medication. The heterogeneous networking framework provides reliable, energy efficientand speedy communication between the patient and the doctor using the proposed routing protocol at the mobile node. The performance of the simulation and real time versions of the Energy Efficient Link Stability Routing Protocol (EELSRP) protocol has been analyzed. Experimental results prove the efficiency of the real-time version of EESLRP protocol. The packet delivery ratio and throughput of the real time version of EELSRP protocol is increased by 3% and 10%, respectively, when compared to the simulated version of EELSRP. The end-to-end delay and energy consumption are reduced by 10% and 2% in the real time version of EELSRP.

Structure and Dynamics of the Membrane-Bound Cytochrome P450 2C9

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

Cojocaru, Vlad; Balali-Mood, Kia; Sansom, Mark S.

The microsomal, membrane-bound, human cytochrome P450 (CYP) 2C9 is a liver-specific monooxygenase essential for drug metabolism. CYPs require electron transfer from the membrane-bound CYP reductase (CPR) for catalysis. The structural details and functional relevance of the CYP-membrane interaction are not understood. From multiple coarse grained molecular simulations started with arbitrary configurations of protein-membrane complexes, we found two predominant orientations of CYP2C9 in the membrane, both consistent with experiments and conserved in atomic-resolution simulations. The dynamics of membrane-bound and soluble CYP2C9 revealed correlations between opening and closing of different tunnels from the enzyme’s buried active site. The membrane facilitated the openingmore » of a tunnel leading into it by stabilizing the open state of an internal aromatic gate. Other tunnels opened selectively in the simulations of product-bound CYP2C9. We propose that the membrane promotes binding of liposoluble substrates by stabilizing protein conformations with an open access tunnel and provide evidence for selective substrate access and product release routes in mammalian CYPs. The models derived here are suitable for extension to incorporate other CYPs for oligomerization studies or the CYP reductase for studies of the electron transfer mechanism, whereas the modeling procedure is generally applicable to study proteins anchored in the bilayer by a single transmembrane helix.« less

Maximum likelihood identification and optimal input design for identifying aircraft stability and control derivatives

NASA Technical Reports Server (NTRS)

Stepner, D. E.; Mehra, R. K.

1973-01-01

A new method of extracting aircraft stability and control derivatives from flight test data is developed based on the maximum likelihood cirterion. It is shown that this new method is capable of processing data from both linear and nonlinear models, both with and without process noise and includes output error and equation error methods as special cases. The first application of this method to flight test data is reported for lateral maneuvers of the HL-10 and M2/F3 lifting bodies, including the extraction of stability and control derivatives in the presence of wind gusts. All the problems encountered in this identification study are discussed. Several different methods (including a priori weighting, parameter fixing and constrained parameter values) for dealing with identifiability and uniqueness problems are introduced and the results given. The method for the design of optimal inputs for identifying the parameters of linear dynamic systems is also given. The criterion used for the optimization is the sensitivity of the system output to the unknown parameters. Several simple examples are first given and then the results of an extensive stability and control dervative identification simulation for a C-8 aircraft are detailed.

Two-dimensional antimonene single crystals grown by van der Waals epitaxy.

PubMed

Ji, Jianping; Song, Xiufeng; Liu, Jizi; Yan, Zhong; Huo, Chengxue; Zhang, Shengli; Su, Meng; Liao, Lei; Wang, Wenhui; Ni, Zhenhua; Hao, Yufeng; Zeng, Haibo

2016-11-15

Unlike the unstable black phosphorous, another two-dimensional group-VA material, antimonene, was recently predicted to exhibit good stability and remarkable physical properties. However, the synthesis of high-quality monolayer or few-layer antimonenes, sparsely reported, has greatly hindered the development of this new field. Here, we report the van der Waals epitaxy growth of few-layer antimonene monocrystalline polygons, their atomical microstructure and stability in ambient condition. The high-quality, few-layer antimonene monocrystalline polygons can be synthesized on various substrates, including flexible ones, via van der Waals epitaxy growth. Raman spectroscopy and transmission electron microscopy reveal that the obtained antimonene polygons have buckled rhombohedral atomic structure, consistent with the theoretically predicted most stable β-phase allotrope. The very high stability of antimonenes was observed after aging in air for 30 days. First-principle and molecular dynamics simulation results confirmed that compared with phosphorene, antimonene is less likely to be oxidized and possesses higher thermodynamic stability in oxygen atmosphere at room temperature. Moreover, antimonene polygons show high electrical conductivity up to 10 4  S m -1 and good optical transparency in the visible light range, promising in transparent conductive electrode applications.

Two-dimensional antimonene single crystals grown by van der Waals epitaxy

PubMed Central

Ji, Jianping; Song, Xiufeng; Liu, Jizi; Yan, Zhong; Huo, Chengxue; Zhang, Shengli; Su, Meng; Liao, Lei; Wang, Wenhui; Ni, Zhenhua; Hao, Yufeng; Zeng, Haibo

2016-01-01

Unlike the unstable black phosphorous, another two-dimensional group-VA material, antimonene, was recently predicted to exhibit good stability and remarkable physical properties. However, the synthesis of high-quality monolayer or few-layer antimonenes, sparsely reported, has greatly hindered the development of this new field. Here, we report the van der Waals epitaxy growth of few-layer antimonene monocrystalline polygons, their atomical microstructure and stability in ambient condition. The high-quality, few-layer antimonene monocrystalline polygons can be synthesized on various substrates, including flexible ones, via van der Waals epitaxy growth. Raman spectroscopy and transmission electron microscopy reveal that the obtained antimonene polygons have buckled rhombohedral atomic structure, consistent with the theoretically predicted most stable β-phase allotrope. The very high stability of antimonenes was observed after aging in air for 30 days. First-principle and molecular dynamics simulation results confirmed that compared with phosphorene, antimonene is less likely to be oxidized and possesses higher thermodynamic stability in oxygen atmosphere at room temperature. Moreover, antimonene polygons show high electrical conductivity up to 104 S m−1 and good optical transparency in the visible light range, promising in transparent conductive electrode applications. PMID:27845327

Equal-area criterion in power systems revisited

NASA Astrophysics Data System (ADS)

Sun, Yong; Ma, Jinpeng; Kurths, Jürgen; Zhan, Meng

2018-02-01

The classic equal-area criterion (EAC) is of key importance in power system analysis, and provides a powerful, pictorial and quantitative means of analysing transient stability (i.e. the system's ability to maintain stable operation when subjected to a large disturbance). Based on the traditional EAC, it is common sense in engineering that there is a critical cleaning time (CCT); namely, a power system is stable (unstable) if a fault is cleared before (after) this CCT. We regard this form of CCT as bipartite. In this paper, we revisit the EAC theory and, surprisingly, find different kinds of transient stability behaviour. Based on these analyses, we discover that the bipartite CCT is only one type among four major types, and, actually, the forms of CCT can be diversified. In particular, under some circumstances, a system may have no CCT or show a periodic CCT. Our theoretical analysis is verified by numerical simulations in a single-machine-infinite-bus system and also in multi-machine systems. Thus, our study provides a panoramic framework for diverse transient stability behaviour in power systems and also may have a significant impact on applications of multi-stability in various other systems, such as neuroscience, climatology or photonics.

Active measurement-based quantum feedback for preparing and stabilizing superpositions of two cavity photon number states

NASA Astrophysics Data System (ADS)

Berube-Lauziere, Yves

The measurement-based quantum feedback scheme developed and implemented by Haroche and collaborators to actively prepare and stabilize specific photon number states in cavity quantum electrodynamics (CQED) is a milestone achievement in the active protection of quantum states from decoherence. This feat was achieved by injecting, after each weak dispersive measurement of the cavity state via Rydberg atoms serving as cavity sensors, a low average number classical field (coherent state) to steer the cavity towards the targeted number state. This talk will present the generalization of the theory developed for targeting number states in order to prepare and stabilize desired superpositions of two cavity photon number states. Results from realistic simulations taking into account decoherence and imperfections in a CQED set-up will be presented. These demonstrate the validity of the generalized theory and points to the experimental feasibility of preparing and stabilizing such superpositions. This is a further step towards the active protection of more complex quantum states than number states. This work, cast in the context of CQED, is also almost readily applicable to circuit QED. YBL acknowledges financial support from the Institut Quantique through a Canada First Research Excellence Fund.

Brief analysis of Jiangsu grid security and stability based on multi-infeed DC index in power system

NASA Astrophysics Data System (ADS)

Zhang, Wenjia; Wang, Quanquan; Ge, Yi; Huang, Junhui; Chen, Zhengfang

2018-02-01

The impact of Multi-infeed HVDC has gradually increased to security and stability operating in Jiangsu power grid. In this paper, an appraisal method of Multi-infeed HVDC power grid security and stability is raised with Multi-Infeed Effective Short Circuit Ratio, Multi-Infeed Interaction Factor and Commutation Failure Immunity Index. These indices are adopted in security and stability simulating calculation of Jiangsu Multi-infeed HVDC system. The simulation results indicate that Jiangsu power grid is operating with a strong DC system. It has high level of power grid security and stability, and meet the safety running requirements. Jinpin-Suzhou DC system is located in the receiving end with huge capacity, which is easily leading to commutation failure of the transmission line. In order to resolve this problem, dynamic reactive power compensation can be applied in power grid near Jinpin-Suzhou DC system. Simulation result shows this method is feasible to commutation failure.

Simulation of white light generation and near light bullets using a novel numerical technique

NASA Astrophysics Data System (ADS)

Zia, Haider

2018-01-01

An accurate and efficient simulation has been devised, employing a new numerical technique to simulate the derivative generalised non-linear Schrödinger equation in all three spatial dimensions and time. The simulation models all pertinent effects such as self-steepening and plasma for the non-linear propagation of ultrafast optical radiation in bulk material. Simulation results are compared to published experimental spectral data of an example ytterbium aluminum garnet system at 3.1 μm radiation and fits to within a factor of 5. The simulation shows that there is a stability point near the end of the 2 mm crystal where a quasi-light bullet (spatial temporal soliton) is present. Within this region, the pulse is collimated at a reduced diameter (factor of ∼2) and there exists a near temporal soliton at the spatial center. The temporal intensity within this stable region is compressed by a factor of ∼4 compared to the input. This study shows that the simulation highlights new physical phenomena based on the interplay of various linear, non-linear and plasma effects that go beyond the experiment and is thus integral to achieving accurate designs of white light generation systems for optical applications. An adaptive error reduction algorithm tailor made for this simulation will also be presented in appendix.

Molecular dynamic simulations on TKX-50/RDX cocrystal.

PubMed

Xiong, Shuling; Chen, Shusen; Jin, Shaohua

2017-06-01

Dihydroxylammonium 5,5'-bistetrazole-1,1'-diolate (TKX-50) is a newly synthesized energetic material with excellent comprehensive properties. Cyclotrimethylenetrinitramine (RDX) is currently one of the most widely used energetic materials in the world. TKX-50 and RDX supercell models and TKX-50/RDX cocrystal model were constructed based on their crystal cell parameters and the formation mechanism of cocrystal, respectively, then they were simulated by molecular dynamics (MD) simulations. The maximum trigger bond (NNO 2 ) length(L max ), binding energy (E bind ), radial distribution function (RDF), cohesive energy density(CED) and mechanical properties were simulated at different temperatures based on the simulated equilibrium structures of the models. The simulated results indicate that hydrogen bond and van der Waals force interactions exist in the cocrystal system and the hydrogen bonds are mainly derived from the hydrogen atom of TKX-50 with the oxygen or nitrogen atom of RDX. Moreover, TKX-50/RDX cocrystal structure significantly reduces the sensitivity and improves the thermodynamic stability of RDX, and it also shows better mechanical properties than pure TKX-50 and RDX, indicating that it will vastly expand the application scope of the single compound explosives. Copyright © 2017 Elsevier Inc. All rights reserved.

Direct Numerical Simulation of a Cavity-Stabilized Ethylene/Air Premixed Flame

NASA Astrophysics Data System (ADS)

Chen, Jacqueline; Konduri, Aditya; Kolla, Hemanth; Rauch, Andreas; Chelliah, Harsha

2016-11-01

Cavity flame holders have been shown to be important for flame stabilization in scramjet combustors. In the present study the stabilization of a lean premixed ethylene/air flame in a rectangular cavity at thermo-chemical conditions relevant to scramjet combustors is simulated using a compressible reacting multi-block direct numerical simulation solver, S3D, incorporating a 22 species ethylene-air reduced chemical model. The fuel is premixed with air to an equivalence ratio of 0.4 and enters the computational domain at Mach numbers between 0.3 and 0.6. An auxiliary inert channel flow simulation is used to provide the turbulent velocity profile at the inlet for the reacting flow simulation. The detailed interaction between intense turbulence, nonequilibrium concentrations of radical species formed in the cavity and mixing with the premixed main stream under density variations due to heat release rate and compressibility effects is quantified. The mechanism for flame stabilization is quantified in terms of relevant non-dimensional parameters, and detailed analysis of the flame and turbulence structure will be presented. We acknowledge the sponsorship of the AFOSR-NSF Joint Effort on Turbulent Combustion Model Assumptions and the DOE Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences.

Stability of simulated flight path control at +3 Gz in a human centrifuge.

PubMed

Guardiera, Simon; Dalecki, Marc; Bock, Otmar

2010-04-01

Earlier studies have shown that naïve subjects and experienced jet pilots produce exaggerated manual forces when exposed to increased acceleration (+Gz). This study was designed to evaluate whether this exaggeration affects the stability of simulated flight path control. We evaluated naïve subjects' performance in a flight simulator which either remained stationary (+1 Gz), or rotated to induce an acceleration in accordance to the simulated flight path with a mean acceleration of about +3 Gz. In either case, subjects were requested to produce a series of altitude changes in pursuit of a visual target airplane. Resulting flight paths were analyzed to determine the largest oscillation after an altitude change (Oscillation) and the mean deviation between subject and target flight path (Tracking Error). Flight stability after an altitude change was degraded in +3 Gz compared to +1 Gz, as evidenced by larger Oscillations (+11%) and increased Tracking Errors (+80%). These deficits correlated significantly with subjects' +3 Gz deficits in a manual-force production task. We conclude that force exaggeration in +3 Gz may impair flight stability during simulated jet maneuvers in naïve subjects, most likely as a consequence of vestibular stimulation.

Advances in Turbulent Combustion Dynamics Simulations in Bluff-Body Stabilized Flames-Body Stabilized Flames

DTIC Science & Technology

2015-11-30

Master’s Thesis 3. DATES COVERED (From - To) 01 Nov 2015 – 30 Nov 2015 4. TITLE AND SUBTITLE Advances in Turbulent Combustion Dynamics Simulations...the three main aspects of bluff-body stabilized flames: stationary combustion , lean blow-out, and thermo-acoustic instabilities. For the cases of...stationary combustion and lean blow-out, an improved version of the Linear Eddy Model approach is used, while in the case of thermo-acoustic

STS/DBS power subsystem end-to-end stability margin

NASA Astrophysics Data System (ADS)

Devaux, R. N.; Vattimo, R. J.; Peck, S. R.; Baker, W. E.

Attention is given to a full-up end-to-end subsystem stability test which was performed with a flight solar array providing power to a fully operational spacecraft. The solar array simulator is described, and a comparison is made between test results obtained with the simulator and those obtained with the actual array. It is concluded that stability testing with a fully integrated spacecraft is necessary to ensure that all elements have been adequately modeled.

Stabilizing a spinning Skylab

NASA Technical Reports Server (NTRS)

Seltzer, S. M.; Patel, J. S.; Justice, D. W.; Schweitzer, G. E.

1972-01-01

The results are presented of a study of the dynamics of a spinning Skylab space station. The stability of motion of several simplified models with flexible appendages was investigated. A digital simulation model that more accurately portrays the complex Skylab vehicle is described, and simulation results are compared with analytically derived results.

Uv-Light Stabilization Additive Package For Solar Cell Module And Laminated Glass Applications

DOEpatents

Hanoka, Jack I.; Klemchuk, Peter P.

2002-03-05

An ultraviolet light stabilization additive package is used in an encapsulant material that may be used in solar cell modules, laminated glass and a variety of other applications. The ultraviolet light stabilization additive package comprises a first hindered amine light stabilizer and a second hindered amine light stabilizer. The first hindered amine light stabilizer provides thermal oxidative stabilization, and the second hindered amine light stabilizer providing photo-oxidative stabilization.

Zinc complexation in chloride-rich hydrothermal fluids (25-600 °C): A thermodynamic model derived from ab initio molecular dynamics

NASA Astrophysics Data System (ADS)

Mei, Yuan; Sherman, David M.; Liu, Weihua; Etschmann, Barbara; Testemale, Denis; Brugger, Joël

2015-02-01

The solubility of zinc minerals in hydrothermal fluids is enhanced by chloride complexation of Zn2+. Thermodynamic models of these complexation reactions are central to models of Zn transport and ore formation. However, existing thermodynamic models, derived from solubility measurements, are inconsistent with spectroscopic measurements of Zn speciation. Here, we used ab initio molecular dynamics simulations (with the PBE exchange-correlation functional) to predict the speciation of Zn-Cl complexes from 25 to 600 °C. We also obtained in situ XAS measurements of Zn-Cl solutions at 30-600 °C. Qualitatively, the simulations reproduced the main features derived from in situ XANES and EXAFS measurements: octahedral to tetrahedral transition with increasing temperature and salinity, stability of ZnCl42- at high chloride concentration up to ⩾500 °C, and increasing stability of the trigonal planar [ZnCl3]- complex at high temperature. Having confirmed the dominant species, we directly determined the stability constants for the Zn-Cl complexes using thermodynamic integration along constrained Zn-Cl distances in a series of MD simulations. We corrected our stability constants to infinite dilution using the b-dot model for the activity coefficients of the solute species. In order to compare the ab initio results with experiments, we need to re-model the existing solubility data using the species we identified in our MD simulations. The stability constants derived from refitting published experimental data are in reasonable agreement with those we obtained using ab initio MD simulations. Our new thermodynamic model accurately predicts the experimentally observed changes in ZnO(s) and ZnCO3(s) solubility as a function of chloride concentration from 200 (Psat) to 600 °C (2000 bar). This study demonstrates that metal speciation and geologically useful stability constants can be derived for species in hydrothermal fluids from ab initio MD simulations even at the generalized gradient approximation for exchange-correlation. We caution, however, that simulations are mostly reliable at high T where ligand exchange is fast enough to yield thermodynamic averages over the timescales of the simulations.

Stability of the Al/TiB2 interface and doping effects of Mg/Si

NASA Astrophysics Data System (ADS)

Deng, Chao; Xu, Ben; Wu, Ping; Li, Qiulin

2017-12-01

The Al/TiB2 interface is of significant importance in controlling the mechanical properties of Al-B4C composites and tuning the heterogeneous nucleation of Al/Si alloys in industry. Its stability and bonding conditions are critical for both purposes. In this paper, the interfacial energies were investigated by first-principles calculations, and the results support the reported grain refinement mechanisms in Al/Si alloys. Moreover, to improve the mechanical properties of the interface, Mg and Si were doped at the interface, and our simulations show that the two interfaces will both weaken after doping Mg/Si, thus the formation of TiB2 is inhibited. As a result, the processability of the Al-B4C composites may be improved. Our results provide a theoretical basis and guidance for practical applications.

Experimental investigation of the stability boundary for double-diffusive finger convection in a Hele-Shaw cell

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

Cooper, Clay A.; Glass, Robert J.; Tyler, Scott W.

OAK - B135 We apply high resolution, full field light transmission techniques to study the onset and development of convection in simulated porous media (Hele-Shaw cells) and fractures. The light transmission technique allows quantitative measurement of the solute concentration fields in time thus allowing direct measurements of the mass flux of components. Experiments are first designed to test theoretical stability relations as a function of the solute concentrations, solute diffusivities and the medium's permeability. Structural evolution and convective transport as a function of dimensionless control parameters is then determined across the full range of parameter space. We also consider themore » application of lattice gas automata techniques to numerically model the onset and development of convection. (Gary Drew notified on 3/25/03 of copyrighted Material)« less

Pinhole occulter experiment

NASA Technical Reports Server (NTRS)

Ring, Jeff; Pflug, John

1987-01-01

Viewgraphs and charts from a briefing summarize the accomplishments, results, conclusions, and recommendations of a feasibility study using the Pinhole Occulter Facility (POF). Accomplishments for 1986 include: (1) improved IPS Gimbal Model; (2) improved Crew Motion Disturbance Model; (3) use of existing shuttle on-orbit simulation to study the effects of orbiter attitude deadband size on POF performance; (4) increased understanding of maximum performance expected from current actuator/sensor set; (5) use of TREETOPS nonlinear time domain program to obtain system dynamics describing the complex multibody flexible structures; (6) use of HONEY-X design tool to design and evaluate multivariable compensator for stability, robustness, and performance; (7) application of state-of-the-art compensator design methodology Linear Quadratic Gaussian/Loop Transfer Recovery (LQG/LTR); and (8) examination of tolerance required on knowledge of the POF boom flexible mode frequencies to insure stability, using structure uncertainty analysis.

Glass and Glass-Ceramic Materials from Simulated Composition of Lunar and Martian Soils: Selected Properties and Potential Applications

NASA Technical Reports Server (NTRS)

Ray, C. S.; Sen, S.; Reis, S. T.; Kim, C. W.

2005-01-01

In-situ resource processing and utilization on planetary bodies is an important and integral part of NASA's space exploration program. Within this scope and context, our general effort is primarily aimed at developing glass and glass-ceramic type materials using lunar and martian soils, and exploring various applications of these materials for planetary surface operations. Our preliminary work to date have demonstrated that glasses can be successfully prepared from melts of the simulated composition of both lunar and martian soils, and the melts have a viscosity-temperature window appropriate for drawing continuous glass fibers. The glasses are shown to have the potential for immobilizing certain types of nuclear wastes without deteriorating their chemical durability and thermal stability. This has a direct impact on successfully and economically disposing nuclear waste generated from a nuclear power plant on a planetary surface. In addition, these materials display characteristics that can be manipulated using appropriate processing protocols to develop glassy or glass-ceramic magnets. Also discussed in this presentation are other potential applications along with a few selected thermal, chemical, and structural properties as evaluated up to this time for these materials.

Ultra Low Outgassing silicone performance in a simulated space ionizing radiation environment

NASA Astrophysics Data System (ADS)

Velderrain, M.; Malave, V.; Taylor, E. W.

2010-09-01

The improvement of silicone-based materials used in space and aerospace environments has garnered much attention for several decades. Most recently, an Ultra Low Outgassing™ silicone incorporating innovative reinforcing and functional fillers has shown that silicone elastomers with unique and specific properties can be developed to meet applications requiring stringent outgassing requirements. This paper will report on the next crucial step in qualifying these materials for spacecraft applications requiring chemical and physical stability in the presence of ionizing radiation. As a first step in this process, selected materials were irradiated with Co-60 gamma-rays to simulate the total dose received in near- Earth orbits. The paper will present pre-and post-irradiation response data of Ultra Low Outgassing silicone samples exposed under ambient air environment coupled with measurements of collected volatile condensable material (CVCM) and total mass loss (TML) per the standard conditions in ASTM E 595. The data will show an insignificant effect on the CVCMs and TMLs after exposure to various dosages of gamma radiation. This data may favorably impact new applications for these silicone materials for use as an improved sealant for space solar cell systems, space structures, satellite systems and aerospace systems.

Degradation of municipal solid waste in simulated landfill bioreactors under aerobic conditions.

PubMed

Slezak, Radoslaw; Krzystek, Liliana; Ledakowicz, Stanislaw

2015-09-01

In this study the municipal solid waste degradation processes in simulated landfill bioreactors under aerobic and anaerobic conditions is investigated. The effect of waste aeration on the dynamics of the aerobic degradation processes in lysimeters as well as during anaerobic processes after completion of aeration is presented. The results are compared with the anaerobic degradation process to determine the stabilization stage of waste in both experimental modes. The experiments in aerobic lysimeters were carried out at small aeration rate (4.41⋅10(-3)lmin(-1)kg(-1)) and for two recirculation rates (24.9 and 1.58lm(-3)d(-1)). The change of leachate and formed gases composition showed that the application of even a small aeration rate favored the degradation of organic matter. The amount of CO2 and CH4 released from anaerobic lysimeter was about 5 times lower than that from the aerobic lysimeters. Better stabilization of the waste was obtained in the aerobic lysimeter with small recirculation, from which the amount of CO2 produced was larger by about 19% in comparison with that from the aerobic lysimeter with large leachate recirculation. Copyright © 2015 Elsevier Ltd. All rights reserved.

Flight Control Using Distributed Shape-Change Effector Arrays

NASA Technical Reports Server (NTRS)

Raney, David L.; Montgomery, Raymond C.; Green, Lawrence I.; Park, Michael A.

2000-01-01

Recent discoveries in material science and fluidics have been used to create a variety of novel effector devices that offer great potential to enable new approaches to aerospace vehicle flight control. Examples include small inflatable blisters, shape-memory alloy diaphragms, and piezoelectric patches that may be used to produce distortions or bumps on the surface of an airfoil to generate control moments. Small jets have also been used to produce a virtual shape-change through fluidic means by creating a recirculation bubble on the surface of an airfoil. An advanced aerospace vehicle might use distributed arrays of hundreds of such devices to generate moments for stabilization and maneuver control, either augmenting or replacing conventional ailerons, flaps or rudders. This research demonstrates the design and use of shape-change device arrays for a tailless aircraft in a low-rate maneuvering application. A methodology for assessing the control authority of the device arrays is described, and a suite of arrays is used in a dynamic simulation to illustrate allocation and deployment methodologies. Although the authority of the preliminary shape-change array designs studied in this paper appeared quite low, the simulation results indicate that the effector suite possessed sufficient authority to stabilize and maneuver the vehicle in mild turbulence.

ReaxFF molecular dynamics simulation of thermal stability of a Cu3(BTC)2 metal-organic framework.

PubMed

Huang, Liangliang; Joshi, Kaushik L; van Duin, Adri C T; Bandosz, Teresa J; Gubbins, Keith E

2012-08-28

The thermal stability of a dehydrated Cu(3)(BTC)(2) (copper(II) benzene 1,3,5-tricarboxylate) metal-organic framework was studied by molecular dynamics simulation with a ReaxFF reactive force field. The results show that Cu(3)(BTC)(2) is thermally stable up to 565 K. When the temperature increases between 600 K and 700 K, the framework starts to partially collapse. The RDF analysis shows that the long range correlations between Cu dimers disappear, indicating the loss of the main channels of Cu(3)(BTC)(2). When the temperature is above 800 K, we find the decomposition of the Cu(3)(BTC)(2) framework. CO is the major product, and we also observe the release of CO(2), O(2), 1,3,5-benzenetricarboxylate (C(6)H(3)(CO(2))(3), BTC) and glassy carbon. The Cu dimer is stable up to 1100 K, but we find the formation of new copper oxide clusters at 1100 K. These results are consistent with experimental findings, and provide valuable information for future theoretical investigations of Cu(3)(BTC)(2) and its application in adsorption, separation and catalytic processes.

Experimental and Numerical Research of a Novel Combustion Chamber for Small Gas Turbine Engines

NASA Astrophysics Data System (ADS)

Tuma, J.; Kubata, J.; Betak, V.; Hybl, R.

2013-04-01

New combustion chamber concept (based on burner JETIS-JET Induced Swirl) for small gas turbine engine (up to 200kW) is presented in this article. The combustion chamber concept is based on the flame stabilization by the generated swirl swirl generated by two opposite tangentially arranged jet tubes in the intermediate zone, this arrangement replaces air swirler, which is very complicated and expensive part in the scope of small gas turbines with annular combustion chamber. The mixing primary jets are oriented partially opposite to the main exhaust gasses flow, this enhances hot product recirculation and fuel-air mixing necessary for low NOx production and flame stability. To evaluate the designed concept a JETIS burner demonstrator (methane fuel) was manufactured and atmospheric experimental measurements of CO, NOx for various fuel nozzles and jet tubes the configuration were done. Results of these experiments and comparison with CFD simulation are presented here. Practical application of the new chamber concept in small gas turbine liquid fuel combustor was evaluated (verified) on 3 nozzles planar combustor sector test rig at atmospheric conditions results of the experiment and numerical simulation are also presented.

Influence of shell thickness on thermal stability of bimetallic Al-Pd nanoparticles

NASA Astrophysics Data System (ADS)

Wen, John Z.; Nguyen, Ngoc Ha; Rawlins, John; Petre, Catalin F.; Ringuette, Sophie

2014-07-01

Aluminum-based bimetallic core-shell nanoparticles have shown promising applications in civil and defense industries. This study addresses the thermal stability of aluminum-palladium (Al-Pd) core/shell nanoparticles with a varying shell thickness of 5, 6, and 7 Å, respectively. The classic molecular dynamics (MD) simulations are performed in order to investigate the effects of the shell thickness on the ignition mechanism and subsequent energetic processes of these nanoparticles. The histograms of temperature change and structural evolution clearly show the inhibition role of the Pd shell during ignition. While the nanoparticle with a thicker shell is more thermally stable and hence requires more excess energy, stored as the potential energy of the nanoparticle and provided through numerically heating, to initiate the thermite reaction, a higher adiabatic temperature can be produced from this nanoparticle, thanks to its greater content of Pd. The two-stage thermite reactions are discussed with their activation energy based on the energy balance processes during MD heating and production. Analyses of the simulation results reveal that the inner pressure of the core-shell nanoparticle increases with both temperature and the absorbed thermal energy during heating, which may result in a breakup of the Pd shell.

Energy Efficiency and Demand Response for Residential Applications

NASA Astrophysics Data System (ADS)

Wellons, Christopher J., II

The purpose of this thesis is to analyze the costs, feasibility and benefits of implementing energy efficient devices and demand response programs to a residential consumer environment. Energy efficiency and demand response are important for many reasons, including grid stabilization. With energy demand increasing, as the years' pass, the drain on the grid is going up. There are two key solutions to this problem, increasing supply by building more power plants and decreasing demand during peak periods, by increasing participation in demand response programs and by upgrading residential and commercial customers to energy efficient devices, to lower demand throughout the day. This thesis focuses on utilizing demand response methods and energy efficient device to reduce demand. Four simulations were created to analyze these methods. These simulations show the importance of energy efficiency and demand response participation to help stabilize the grid, integrate more alternative energy resources, and reduce emissions from fossil fuel generating facilities. The results of these numerical analyses show that demand response and energy efficiency can be beneficial to consumers and utilities. With demand response being the most beneficial to the utility and energy efficiency, specifically LED lighting, providing the most benefits to the consumer.

Mapping the stability region of the 3:2 Neptune-Pluto resonance

NASA Technical Reports Server (NTRS)

Levison, H. F.; Stern, S. A.

1993-01-01

Pluto and Charon are most likely the remnants of a large number of objects that existed in the Uranus-Neptune region at early epochs of the solar system. Numerical integrations have shown that, in general, such objects were ejected from the planetary region on timescales of approximately 10(exp 7) years after Neptune and Uranus reached their current masses. It is thought that the Pluto-Charon system survived to current times without being dynamically removed in this way because it is trapped in a set of secular and mean motion resonances with Neptune. The best-known Pluto-Neptune orbit coupling is the 3:2 mean motion resonance discovered almost 30 years ago by C. Cohen and E. Hubbard. These workers showed that the resonance angle, delta is equivalent to 3(lambda(sub P)) - 2(lambda(sub N)) - omega-bar(sub P) where omega-bar(sub P) is the longitude of perihelion of the Pluto-Charon system, and lambda(sub N) and lambda(sub P) are the mean longitude of Neptune and Pluto-Charon respectively, librates about 180 deg with an amplitude, A(sub delta), of 76 deg. A numerical simulation project to map out the stability region of the 3:2 resonance is reported. The results of these simulations are important to understanding whether Pluto's long-term heliocentric stability requires only the 3:2 resonance, or whether it instead requires one or more of the other Pluto-Neptune resonances. Our study also has another important application. By investigating stability timescales as a function of orbital elements, we gain insight into the fraction of orbital phase space which the stable 3:2 resonance occupies. This fraction is directly related to the probability that the Pluto-Charon system (and possibly other small bodies) could have been captured into this resonance.

Comparison of retention and stability of two implant-retained overdentures based on implant location.

PubMed

Scherer, Michael D; McGlumphy, Edwin A; Seghi, Robert R; Campagni, Wayne V

2014-09-01

The location of dental implants and the choice of retentive attachments for implant-retained overdentures are selected based on clinician preference, expert opinion, or empirical information. Limited information is available regarding implant position and the effect on the retention and stability of 2-implant mandibular implant overdentures. The purpose of this investigation was to evaluate the effect of implant location on the in vitro retention and stability of a simulated 2-implant-supported overdenture and to examine the differences among different attachment systems. A model that simulates a mandibular edentulous ridge with dental implants in positions that approximate tooth positions, and a cobalt-chromium cast framework attached to a universal testing machine was used to measure the peak load (N) required to disconnect the attachments. Four different types of attachments (Ball/Cap, ERA, Locator, and O-Ring) were used in sequence in various positions on the model to evaluate the effect of implant location on the retention and stability of a simulated 2-implant-retained overdenture. Means were calculated, and differences among the systems, directions, and groups were identified by using a repeated measured ANOVA (α=.05). For differences observed between measurements, the Bonferroni post hoc method at the 5% level of significance was used to determine the location and magnitude of difference. The interactions between the attachment system, direction of force, and implant location were statistically significant (P=.01). The vertical retention and horizontal stability of a simulated overdenture prosthesis increased with the distal implant location up to the second premolar, and the anteroposterior stability increased with distal implant location. The attachment type affected retention and stability differently by location. Ball attachments produced the highest levels of retention and stability, followed by Locator (pink), O-Ring, and ERA (orange). The retention and stability of a 2-implant simulated overdenture prosthesis is significantly affected by implant location (P=.01) and abutment type (P=.01). Copyright © 2014 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

Force-Induced Unravelling of DNA Origami.

PubMed

Engel, Megan C; Smith, David M; Jobst, Markus A; Sajfutdinow, Martin; Liedl, Tim; Romano, Flavio; Rovigatti, Lorenzo; Louis, Ard A; Doye, Jonathan P K

2018-05-31

The mechanical properties of DNA nanostructures are of widespread interest as applications that exploit their stability under constant or intermittent external forces become increasingly common. We explore the force response of DNA origami in comprehensive detail by combining AFM single molecule force spectroscopy experiments with simulations using oxDNA, a coarse-grained model of DNA at the nucleotide level, to study the unravelling of an iconic origami system: the Rothemund tile. We contrast the force-induced melting of the tile with simulations of an origami 10-helix bundle. Finally, we simulate a recently-proposed origami biosensor, whose function takes advantage of origami behaviour under tension. We observe characteristic stick-slip unfolding dynamics in our force-extension curves for both the Rothemund tile and the helix bundle and reasonable agreement with experimentally observed rupture forces for these systems. Our results highlight the effect of design on force response: we observe regular, modular unfolding for the Rothemund tile that contrasts with strain-softening of the 10-helix bundle which leads to catastropic failure under monotonically increasing force. Further, unravelling occurs straightforwardly from the scaffold ends inwards for the Rothemund tile, while the helix bundle unfolds more nonlinearly. The detailed visualization of the yielding events provided by simulation allows preferred pathways through the complex unfolding free-energy landscape to be mapped, as a key factor in determining relative barrier heights is the extensional release per base pair broken. We shed light on two important questions: how stable DNA nanostructures are under external forces; and what design principles can be applied to enhance stability.

First-Principles Study on the Thermal Stability of LiNiO2 Materials Coated by Amorphous Al2O3 with Atomic Layer Thickness.

PubMed

Kang, Joonhee; Han, Byungchan

2015-06-03

Using first-principles calculations, we study how to enhance thermal stability of high Ni compositional cathodes in Li-ion battery application. Using the archetype material LiNiO2 (LNO), we identify that ultrathin coating of Al2O3 (0001) on LNO(012) surface, which is the Li de-/intercalation channel, substantially improves the instability problem. Density functional theory calculations indicate that the Al2O3 deposits show phase transition from the corundum-type crystalline (c-Al2O3) to amorphous (a-Al2O3) structures as the number of coating layers reaches three. Ab initio molecular dynamic simulations on the LNO(012) surface coated by a-Al2O3 (about 0.88 nm) with three atomic layers oxygen gas evolution is strongly suppressed at T=400 K. We find that the underlying mechanism is the strong contacting force at the interface between LNO(012) and Al2O3 deposits, which, in turn, originated from highly ionic chemical bonding of Al and O at the interface. Furthermore, we identify that thermodynamic stability of the a-Al2O3 is even more enhanced with Li in the layer, implying that the protection for the LNO(012) surface by the coating layer is meaningful over the charging process. Our approach contributes to the design of innovative cathode materials with not only high-energy capacity but also long-term thermal and electrochemical stability applicable for a variety of electrochemical energy devices including Li-ion batteries.

Simple Chaotic Flow with Circle and Square Equilibrium

NASA Astrophysics Data System (ADS)

Gotthans, Tomas; Sprott, Julien Clinton; Petrzela, Jiri

Simple systems of third-order autonomous nonlinear differential equations can exhibit chaotic behavior. In this paper, we present a new class of chaotic flow with a square-shaped equilibrium. This unique property has apparently not yet been described. Such a system belongs to a newly introduced category of chaotic systems with hidden attractors that are interesting and important in engineering applications. The mathematical model is accompanied by an electrical circuit implementation, demonstrating structural stability of the strange attractor. The circuit is simulated with PSpice, constructed, and analyzed (measured).

Synchronization of chaotic and nonchaotic oscillators: Application to bipolar disorder

NASA Astrophysics Data System (ADS)

Nono Dueyou Buckjohn, C.; Siewe Siewe, M.; Tchawoua, C.; Kofane, T. C.

2010-08-01

In this Letter, we use a synchronization scheme on two bipolar disorder models consisting of a strong nonlinear system with multiplicative excitation and a nonlinear oscillator without parametric harmonic forcing. The stability condition following our control function is analytically demonstrated using the Lyapunov theory and Routh-Hurwitz criteria, we then have the condition for the existence of a feedback gain matrix. A convenient demonstration of the accuracy of the method is complemented by the numerical simulations from which we illustrate the synchronized dynamics between the two non-identical bipolar disorder patients.

Insights on activation enthalpy for non-Schmid slip in body-centered cubic metals

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

Hale, Lucas M.; Lim, Hojun; Zimmerman, Jonathan A.

2014-12-18

We use insights gained from atomistic simulation to develop an activation enthalpy model for dislocation slip in body-centered cubic iron. Furthermore, using a classical potential that predicts dislocation core stabilities consistent with ab initio predictions, we quantify the non-Schmid stress-dependent effects of slip. The kink-pair activation enthalpy is evaluated and a model is identified as a function of the general stress state. Thus, our model enlarges the applicability of the classic Kocks activation enthalpy model to materials with non-Schmid behavior.

Spent Nuclear Fuel Transport Reliability Study

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

Wang, Jy-An John; Wang, Hong; Jiang, Hao

This conference paper was orignated and shorten from the following publisehd PTS documents: 1. Jy-An Wang, Hao Jiang, and Hong Wang, Dynamic Deformation Simulation of Spent Nuclear Fuel Assembly and CIRFT Deformation Sensor Stability Investigation, ORNL/SPR-2015/662, November 2015. 2. Jy-An Wang, Hong Wang, Mechanical Fatigue Testing of High-Burnup Fuel for Transportation Applications, NUREG/CR-7198, ORNL/TM-2014/214, May 2015. 3. Jy-An Wang, Hong Wang, Hao Jiang, Yong Yan, Bruce Bevard, Spent Nuclear Fuel Vibration Integrity Study 16332, WM2016 Conference, March 6 10, 2016, Phoenix, Arizona.

Application of Improved APO Algorithm in Vulnerability Assessment and Reconstruction of Microgrid

NASA Astrophysics Data System (ADS)

Xie, Jili; Ma, Hailing

2018-01-01

Artificial Physics Optimization (APO) has good global search ability and can avoid the premature convergence phenomenon in PSO algorithm, which has good stability of fast convergence and robustness. On the basis of APO of the vector model, a reactive power optimization algorithm based on improved APO algorithm is proposed for the static structure and dynamic operation characteristics of microgrid. The simulation test is carried out through the IEEE 30-bus system and the result shows that the algorithm has better efficiency and accuracy compared with other optimization algorithms.

Determining Selection across Heterogeneous Landscapes: A Perturbation-Based Method and Its Application to Modeling Evolution in Space.

PubMed

Wickman, Jonas; Diehl, Sebastian; Blasius, Bernd; Klausmeier, Christopher A; Ryabov, Alexey B; Brännström, Åke

2017-04-01

Spatial structure can decisively influence the way evolutionary processes unfold. To date, several methods have been used to study evolution in spatial systems, including population genetics, quantitative genetics, moment-closure approximations, and individual-based models. Here we extend the study of spatial evolutionary dynamics to eco-evolutionary models based on reaction-diffusion equations and adaptive dynamics. Specifically, we derive expressions for the strength of directional and stabilizing/disruptive selection that apply both in continuous space and to metacommunities with symmetrical dispersal between patches. For directional selection on a quantitative trait, this yields a way to integrate local directional selection across space and determine whether the trait value will increase or decrease. The robustness of this prediction is validated against quantitative genetics. For stabilizing/disruptive selection, we show that spatial heterogeneity always contributes to disruptive selection and hence always promotes evolutionary branching. The expression for directional selection is numerically very efficient and hence lends itself to simulation studies of evolutionary community assembly. We illustrate the application and utility of the expressions for this purpose with two examples of the evolution of resource utilization. Finally, we outline the domain of applicability of reaction-diffusion equations as a modeling framework and discuss their limitations.

Biomass pyrolysis for biochar or energy applications? A life cycle assessment.

PubMed

Peters, Jens F; Iribarren, Diego; Dufour, Javier

2015-04-21

The application of biochar as a soil amendment is a potential strategy for carbon sequestration. In this paper, a slow pyrolysis system for generating heat and biochar from lignocellulosic energy crops is simulated and its life-cycle performance compared with that of direct biomass combustion. The use of the char as biochar is also contrasted with alternative use options: cofiring in coal power plants, use as charcoal, and use as a fuel for heat generation. Additionally, the influence on the results of the long-term stability of the biochar in the soil, as well as of biochar effects on biomass yield, is evaluated. Negative greenhouse gas emissions are obtained for the biochar system, indicating a significant carbon abatement potential. However, this is achieved at the expense of lower energy efficiency and higher impacts in the other assessed categories when compared to direct biomass combustion. When comparing the different use options of the pyrolysis char, the most favorable result is obtained for char cofiring substituting fossil coal, even assuming high long-term stability of the char. Nevertheless, a high sensitivity to biomass yield increase is found for biochar systems. In this sense, biochar application to low-quality soils where high yield increases are expected would show a more favorable performance in terms of global warming.

46 CFR 35.20-7 - Verification of vessel compliance with applicable stability requirements-TB/ALL.

Code of Federal Regulations, 2011 CFR

2011-10-01

... the vessels's trim and stability book, stability letter, Certificate of Inspection, and Load Line.... (b) When determining compliance with applicable stability requirements the vessel's draft, trim, and...

46 CFR 35.20-7 - Verification of vessel compliance with applicable stability requirements-TB/ALL.

Code of Federal Regulations, 2010 CFR

2010-10-01

... the vessels's trim and stability book, stability letter, Certificate of Inspection, and Load Line.... (b) When determining compliance with applicable stability requirements the vessel's draft, trim, and...

Sub-micron Cu/SSZ-13: Synthesis and application as selective catalytic reduction (SCR) catalysts

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

Prodinger, Sebastian; Derewinski, Miroslaw A.; Wang, Yilin

For the first time, sub-micron Cu/SSZ-13, obtained by modifying an existing synthesis procedure, was shown to be an effective and stable catalyst for selective catalytic reduction reactions, such as NO reduction. Characterization of the materials with X-ray diffraction, N2-physisorption and 27Al MAS NMR shows that hydrothermal aging, simulating SCR reaction conditions, is more destructive in respect to dealumination for smaller particles prior to Cu-exchange. However, the catalytic performance and hydrothermal stability for Cu/SSZ-13 is independent of the particle size. In particular, the stability of tetrahedral framework Al is improved in the sub-micron Cu/SSZ-13 catalysts of comparable Cu loading. This indicatesmore » that variations in the Al distribution for different SSZ-13 synthesis procedures have a more critical influence on stabilizing isolated Cu-ions during harsh hydrothermal aging than the particle size. This study is of high interest for applications in vehicular DeNOx technologies where high loadings of active species on wash coats can be achieved by using sub-micron Cu/SSZ-13. The authors would like to thank B. W. Arey and J. J. Ditto for performing electron microscope imaging. The authors gratefully acknowledge the US Department of Energy (DOE), Energy Efficiency and Renewable Energy, Vehicle Technologies Office for the support of this work. S. P and M. A. D also acknowledge support by the Materials Synthesis and Simulation Across Scales (MS3 Initiative) conducted under the Laboratory Directed Research & Development Program at PNNL. The research described in this paper was performed in the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the DOE’s Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated for the US DOE by Battelle.« less

Practical Applications of Cables and Ropes in the ISS Countermeasures System

NASA Technical Reports Server (NTRS)

Svetlik, Randall G.; Moore, Cherice; Williams, Antony

2017-01-01

National Aeronautics and Space Administration (NASA) uses exercise countermeasures on the International Space Station (ISS) to maintain crew health and combat the negative effects of long-duration spaceflight on the human body. Most ISS exercise countermeasures system (CMS) equipment rely heavily on the use of textile and wire ropes to transmit resistive loads and provide stability in a microgravity environment. For a variety of reasons, including challenges in simulating microgravity environments for testing and limits on time available for life cycle testing, the textiles and wire ropes have contributed significantly to on-orbit planned and unplanned maintenance time. As a result, continued ground testing and on-orbit experience since the first expedition on the ISS in 2000 provide valuable data and lessons learned in materials selection, applications, and design techniques to increase service life of these ropes. This paper will present a review of the development and failure history of textile and wire ropes for four exercise countermeasure systems-the Treadmill with Vibration Isolation and Stabilization (TVIS) System, Cycle Ergometer with Vibration Isolation and Stabilization (CEVIS) System, Interim Resistive Exercise Device (IRED), and the Advanced Resistive Exercise Device (ARED)-to identify lessons learned in order to improve future systems. These lessons learned, paired with thorough testing on the ground, offer a forward path towards reduced maintenance time and up-mass for future space missions.

Problems inherent in using aircraft for radio oceanography studies

NASA Technical Reports Server (NTRS)

Walsh, E. J.

1977-01-01

Some of the disadvantages relating to altitude stability and proximity to the ocean are described for radio oceanography studies using aircraft. The random oscillatory motion introduced by the autopilot in maintaining aircraft altitude requires a more sophisticated range tracker for a radar altimeter than would be required in a satellite application. One-dimensional simulations of the sea surface (long-crested waves) are performed using both the JONSWAP spectrum and the Pierson-Moskowitz spectrum. The results of the simulation indicate that care must be taken in trying to experimentally verify instrument measurement accuracy. Because of the relatively few wavelengths examined from an aircraft due to proximity to the ocean and low velocity compared to a satellite, the random variation in the sea surface parameters being measured can far exceed an instrument's ability to measure them.

Nanocellulose-stabilized Pickering emulsions and their applications

PubMed Central

Fujisawa, Shuji; Togawa, Eiji; Kuroda, Katsushi

2017-01-01

Abstract Pickering emulsion, which is an emulsion stabilized by solid particles, offers a wide range of potential applications because it generally provides a more stable system than surfactant-stabilized emulsion. Among various solid stabilizers, nanocellulose may open up new opportunities for future Pickering emulsions owing to its unique nanosizes, amphiphilicity, and other favorable properties (e.g. chemical stability, biodegradability, biocompatibility, and renewability). In this review, the preparation and properties of nanocellulose-stabilized Pickering emulsions are summarized. We also provide future perspectives on their applications, such as drug delivery, food, and composite materials. PMID:29383046

Nanocellulose-stabilized Pickering emulsions and their applications

NASA Astrophysics Data System (ADS)

Fujisawa, Shuji; Togawa, Eiji; Kuroda, Katsushi

2017-12-01

Pickering emulsion, which is an emulsion stabilized by solid particles, offers a wide range of potential applications because it generally provides a more stable system than surfactant-stabilized emulsion. Among various solid stabilizers, nanocellulose may open up new opportunities for future Pickering emulsions owing to its unique nanosizes, amphiphilicity, and other favorable properties (e.g. chemical stability, biodegradability, biocompatibility, and renewability). In this review, the preparation and properties of nanocellulose-stabilized Pickering emulsions are summarized. We also provide future perspectives on their applications, such as drug delivery, food, and composite materials.

An algorithm for emulsion stability simulations: account of flocculation, coalescence, surfactant adsorption and the process of Ostwald ripening.

PubMed

Urbina-Villalba, German

2009-03-01

The first algorithm for Emulsion Stability Simulations (ESS) was presented at the V Conferencia Iberoamericana sobre Equilibrio de Fases y Diseño de Procesos [Luis, J.; García-Sucre, M.; Urbina-Villalba, G. Brownian Dynamics Simulation of Emulsion Stability In: Equifase 99. Libro de Actas, 1(st) Ed., Tojo J., Arce, A., Eds.; Solucion's: Vigo, Spain, 1999; Volume 2, pp. 364-369]. The former version of the program consisted on a minor modification of the Brownian Dynamics algorithm to account for the coalescence of drops. The present version of the program contains elaborate routines for time-dependent surfactant adsorption, average diffusion constants, and Ostwald ripening.

Rupture of DNA aptamer: New insights from simulations

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

Mishra, Rakesh Kumar; Nath, Shesh; Kumar, Sanjay

2015-10-28

Base-pockets (non-complementary base-pairs) in a double-stranded DNA play a crucial role in biological processes. Because of thermal fluctuations, it can lower the stability of DNA, whereas, in case of DNA aptamer, small molecules, e.g., adenosinemonophosphate and adenosinetriphosphate, form additional hydrogen bonds with base-pockets termed as “binding-pockets,” which enhance the stability. Using the Langevin dynamics simulations of coarse grained model of DNA followed by atomistic simulations, we investigated the influence of base-pocket and binding-pocket on the stability of DNA aptamer. Striking differences have been reported here for the separation induced by temperature and force, which require further investigation by single moleculemore » experiments.« less

Simulated digestion for testing the stability of edible vaccine based on Cucumber mosaic virus (CMV) chimeric particle display Hepatitis C virus (HCV) peptide.

PubMed

Vitti, Antonella; Nuzzaci, Maria; Condelli, Valentina; Piazzolla, Pasquale

2014-01-01

Edible vaccines must survive digestive process and preserve the specific structure of the antigenic peptide to elicit effective immune response. The stability of a protein to digestive process can be predicted by subjecting it to the in vitro assay with simulated gastric fluid (SGF) and simulated intestinal fluid (SIF). Here, we describe the protocol of producing and using chimeric Cucumber mosaic virus (CMV) displaying Hepatitis C virus (HCV) derived peptide (R9) in double copy as an oral vaccine. Its stability after treatment with SGF and SIF and the preservation of the antigenic properties were verified by SDS-PAGE and immuno western blot techniques.

Transport and geotechnical properties of porous media with applications to retorted oil shale. Volume 4. Appendix D. Temperature and toe erosion effects on spent oil shale embankment stability

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

Chang, N.Y.; Wu, T.H.

1986-01-01

To evaluate the engineering property of spent shale at elevated temperatures, high temperature triaxial cells were designed and manufactured. The cells were then used in the test program designed to provide the physical and engineering properties of spent shale (TOSCO-II) at elevated temperatures. A series of consolidated drained triaxial tests were conducted at high temperatures. Duncan-Chang hyperbolic model was adopted to simulate the laboratory stress versus strain behavior of spent shale at various temperatures. This model provides very good fit to the laboratory stress-strain-volumetric strain characteristics of spent shale at various temperatures. The parameters of this model were then formulatedmore » as functions of temperatures and the Duncan-Chang model was implemented in a finite element analysis computer code for predicting the stress-deformation behavior of large spent shale embankments. Modified Bishop method was also used in analyzing the stability of spent shale embankments. The stability of three different spent shale embankments at three different temperatures were investigated in the study. Additionally the stability of embankments with different degrees of toe erosion was also studied. Results of this study indicated that (1) the stress-strain-strength properties of soils are affected by temperature variation; (2) the stress-strain-strength behavior of spent shale can be simulated by Duncan-Chang hyperbolic model, (3) the factor of safety of embankment slope decreases with rising temperatures; (4) the embankment deformation increases with rising temperatures; and (5) the toe erosion induced by floods causes the embankment slope to become less stable. It is strongly recommended, to extend this study to investigate the effect of internal seepage on the stability of large spent shale embankment. 68 refs., 53 figs., 16 tabs.« less

V67L Mutation Fills an Internal Cavity To Stabilize RecA Mtu Intein

DOE PAGES

Zwarycz, Allison S.; Fossat, Martin; Akanyeti, Otar; ...

2017-05-10

Inteins mediate protein splicing, which has found extensive applications in protein science and biotechnology. In the Mycobacterium tuberculosis RecA mini–mini intein (ΔΔIhh), a single valine to leucine substitution at position 67 (V67L) dramatically increases intein stability and activity. However, crystal structures show that the V67L mutation causes minimal structural rearrangements, with a root-mean-square deviation of 0.2 Å between ΔΔIhh-V67 and ΔΔIhh-L67. Thus, the structural mechanisms for V67L stabilization and activation remain poorly understood. In this paper, we used intrinsic tryptophan fluorescence, high-pressure nuclear magnetic resonance (NMR), and molecular dynamics (MD) simulations to probe the structural basis of V67L stabilization ofmore » the intein fold. Guanidine hydrochloride denaturation monitored by fluorescence yielded free energy changes (ΔG f°) of -4.4 and -6.9 kcal mol –1 for ΔΔIhh-V67 and ΔΔIhh-L67, respectively. High-pressure NMR showed that ΔΔIhh-L67 is more resistant to pressure-induced unfolding than ΔΔIhh-V67 is. The change in the volume of folding (ΔV f) was significantly larger for V67 (71 ± 2 mL mol –1) than for L67 (58 ± 3 mL mol –1) inteins. The measured difference in ΔV f (13 ± 3 mL mol –1) roughly corresponds to the volume of the additional methylene group for Leu, supporting the notion that the V67L mutation fills a nearby cavity to enhance intein stability. In addition, we performed MD simulations to show that V67L decreases side chain dynamics and conformational entropy at the active site. Finally, it is plausible that changes in cavities in V67L can also mediate allosteric effects to change active site dynamics and enhance intein activity.« less

V67L Mutation Fills an Internal Cavity To Stabilize RecA Mtu Intein

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

Zwarycz, Allison S.; Fossat, Martin; Akanyeti, Otar

Inteins mediate protein splicing, which has found extensive applications in protein science and biotechnology. In the Mycobacterium tuberculosis RecA mini–mini intein (ΔΔIhh), a single valine to leucine substitution at position 67 (V67L) dramatically increases intein stability and activity. However, crystal structures show that the V67L mutation causes minimal structural rearrangements, with a root-mean-square deviation of 0.2 Å between ΔΔIhh-V67 and ΔΔIhh-L67. Thus, the structural mechanisms for V67L stabilization and activation remain poorly understood. In this paper, we used intrinsic tryptophan fluorescence, high-pressure nuclear magnetic resonance (NMR), and molecular dynamics (MD) simulations to probe the structural basis of V67L stabilization ofmore » the intein fold. Guanidine hydrochloride denaturation monitored by fluorescence yielded free energy changes (ΔG f°) of -4.4 and -6.9 kcal mol –1 for ΔΔIhh-V67 and ΔΔIhh-L67, respectively. High-pressure NMR showed that ΔΔIhh-L67 is more resistant to pressure-induced unfolding than ΔΔIhh-V67 is. The change in the volume of folding (ΔV f) was significantly larger for V67 (71 ± 2 mL mol –1) than for L67 (58 ± 3 mL mol –1) inteins. The measured difference in ΔV f (13 ± 3 mL mol –1) roughly corresponds to the volume of the additional methylene group for Leu, supporting the notion that the V67L mutation fills a nearby cavity to enhance intein stability. In addition, we performed MD simulations to show that V67L decreases side chain dynamics and conformational entropy at the active site. Finally, it is plausible that changes in cavities in V67L can also mediate allosteric effects to change active site dynamics and enhance intein activity.« less

The influence of two imidazolium-based ionic liquids on the structure and activity of glucose oxidase: Experimental and theoretical studies.

PubMed

Janati-Fard, Fatemeh; Housaindokht, Mohammad Reza; Monhemi, Hassan; Esmaeili, Abbas Ali; Nakhaei Pour, Ali

2018-07-15

The search for ionic liquids (ILs) with biochemical and biomedical applications has recently gained great attention. IL containing solvents can change the structure, stability and function of proteins. The study of protein conformation in ILs is important to understand enzymatic activity. In this work, conformational stability and activity of the enzyme in two imidazolium-based ILs (1-butyl 3-methyl-imidozolium and 1-hexyl 3-methyl-imidozoliumbromides) were investigated. We treated glucose oxidase as dimer-active enzyme in different IL concentration and seen that GOx activity was inhibited in the presence of ILs. Our experimental data showed that inhibition of activity and reduction of enzyme tertiary structure are more for hexyl than butyl derivative. These experimental results are in agreement with foregoing observations. To find a possible mechanism, a series of molecular dynamics simulation of the enzyme were performed at different IL concentration. The structure parameters obtained from MD simulation showed that conformational changes at the active site and FAD-binding site support the hypothesis of enzyme inhibition at the presence of ILs. Root mean square deviation and fluctuation calculations indicated that the enzyme has stable conformation at higher IL concentration, in agreement with experimental observation. But hexyl derivative has a much stronger stabilization effect on the protein structure. In summary, the present study could improve our understanding of the molecular mechanism about the ionic liquid effects on the structure and activity of proteins. Copyright © 2018 Elsevier B.V. All rights reserved.

Computational Insights into the Stability and Folding Pathways of Human Telomeric DNA G-Quadruplexes.

PubMed

Luo, Di; Mu, Yuguang

2016-06-09

G-quadruplex is a noncanonical yet crucial secondary structure of nucleic acids, which has proven its importance in cell aging, anticancer therapies, gene expression, and genome stability. In this study, the stability and folding dynamics of human telomeric DNA G-quadruplexes were investigated via enhanced sampling techniques. First, temperature-replica exchange MD (REMD) simulations were employed to compare the thermal stabilities among the five established folding topologies. The hybrid-2 type adopted by extended human telomeric sequence is revealed to be the most stable conformation in our simulations. Next, the free energy landscapes and folding intermediates of the hybrid-1 and -2 types were investigated with parallel tempering metadynamics simulations in the well-tempered ensemble. It was observed that the N-glycosidic conformations of guanines can flip over to accommodate into the cyclic Hoogsteen H-bonding on G-tetrads in which they were not originally involved. Furthermore, a hairpin and a triplex intermediate were identified for the folding of the hybrid-1 type conformation, whereas for the hybrid-2 type, there were no folding intermediates observed from its free energy surface. However, the energy barrier from its native topology to the transition structure is found to be extremely high compared to that of the hybrid-1 type, which is consistent with our stability predictions from the REMD simulations. We hope the insights presented in this work can help to complement current understanding on the stability and dynamics of G-quadruplexes, which is necessary not only to stabilize the structures but also to intervene their formation in genome.

Identification of market trends with string and D2-brane maps

NASA Astrophysics Data System (ADS)

Bartoš, Erik; Pinčák, Richard

2017-08-01

The multidimensional string objects are introduced as a new alternative for an application of string models for time series forecasting in trading on financial markets. The objects are represented by open string with 2-endpoints and D2-brane, which are continuous enhancement of 1-endpoint open string model. We show how new object properties can change the statistics of the predictors, which makes them the candidates for modeling a wide range of time series systems. String angular momentum is proposed as another tool to analyze the stability of currency rates except the historical volatility. To show the reliability of our approach with application of string models for time series forecasting we present the results of real demo simulations for four currency exchange pairs.

Active stabilization of error field penetration via control field and bifurcation of its stable frequency range

NASA Astrophysics Data System (ADS)

Inoue, S.; Shiraishi, J.; Takechi, M.; Matsunaga, G.; Isayama, A.; Hayashi, N.; Ide, S.

2017-11-01

An active stabilization effect of a rotating control field against an error field penetration is numerically studied. We have developed a resistive magnetohydrodynamic code ‘AEOLUS-IT’, which can simulate plasma responses to rotating/static external magnetic field. Adopting non-uniform flux coordinates system, the AEOLUS-IT simulation can employ high magnetic Reynolds number condition relevant to present tokamaks. By AEOLUS-IT, we successfully clarified the stabilization mechanism of the control field against the error field penetration. Physical processes of a plasma rotation drive via the control field are demonstrated by the nonlinear simulation, which reveals that the rotation amplitude at a resonant surface is not a monotonic function of the control field frequency, but has an extremum. Consequently, two ‘bifurcated’ frequency ranges of the control field are found for the stabilization of the error field penetration.

nZVI injection into variably saturated soils: Field and modeling study.

PubMed

Chowdhury, Ahmed I A; Krol, Magdalena M; Kocur, Christopher M; Boparai, Hardiljeet K; Weber, Kela P; Sleep, Brent E; O'Carroll, Denis M

2015-12-01

Nano-scale zero valent iron (nZVI) has been used at a number of contaminated sites over the last decade. At most of these sites, significant decreases in contaminant concentrations have resulted from the application of nZVI. However, limited work has been completed investigating nZVI field-scale mobility. In this study, a field test was combined with numerical modeling to examine nZVI reactivity along with transport properties in variably saturated soils. The field test consisted of 142L of carboxymethyle cellulose (CMC) stabilized monometallic nZVI synthesized onsite and injected into a variably saturated zone. Periodic groundwater samples were collected from the injection well, as well as, from two monitoring wells to analyze for chlorinated solvents and other geochemistry indicators. This study showed that CMC stabilized monometallic nZVI was able to decrease tricholorethene (TCE) concentrations in groundwater by more than 99% from the historical TCE concentrations. A three dimensional, three phase, finite difference numerical simulator, (CompSim) was used to further investigate nZVI and polymer transport at the variably saturated site. The model was able to accurately predict the field observed head data without parameter fitting. In addition, the numerical simulator estimated the mass of nZVI delivered to the saturated and unsaturated zones and distinguished the nZVI phase (i.e. aqueous or attached). The simulation results showed that the injected slurry migrated radially outward from the injection well, and therefore nZVI transport was governed by injection velocity and viscosity of the injected solution. A suite of sensitivity analyses was performed to investigate the impact of different injection scenarios (e.g. different volume and injection rate) on nZVI migration. Simulation results showed that injection of a higher nZVI volume delivered more iron particles at a given distance; however, the travel distance was not proportional to the increase in volume. Moreover, simulation results showed that using a 1D transport equation to simulate nZVI migration in the subsurface may overestimate the travel distance. This is because the 1D transport equation assumes a constant velocity while pore water velocity radially decreases from the well during injection. This study suggests that on-site synthesized nZVI particles are mobile in the subsurface and that a numerical simulator can be a valuable tool for optimal design of nZVI field applications. Copyright © 2015 Elsevier B.V. All rights reserved.

Ebola Virus Stability on Surfaces and in Fluids in Simulated Outbreak Environments.

PubMed

Fischer, Robert; Judson, Seth; Miazgowicz, Kerri; Bushmaker, Trenton; Prescott, Joseph; Munster, Vincent J

2015-07-01

We evaluated the stability of Ebola virus on surfaces and in fluids under simulated environmental conditions for the climate of West Africa and for climate-controlled hospitals. This virus remains viable for a longer duration on surfaces in hospital conditions than in African conditions and in liquid than in dried blood.

Using Simulations to Investigate the Longitudinal Stability of Alternative Schemes for Classifying and Identifying Children with Reading Disabilities

ERIC Educational Resources Information Center

Schatschneider, Christopher; Wagner, Richard K.; Hart, Sara A.; Tighe, Elizabeth L.

2016-01-01

The present study employed data simulation techniques to investigate the 1-year stability of alternative classification schemes for identifying children with reading disabilities. Classification schemes investigated include low performance, unexpected low performance, dual-discrepancy, and a rudimentary form of constellation model of reading…

Scalable Online Network Modeling and Simulation

DTIC Science & Technology

2005-08-01

ONLINE NETWORK MODELING AND SIMULATION 6. AUTHOR(S) Boleslaw Szymanski , Shivkumar Kalyanaraman, Biplab Sikdar and Christopher Carothers 5...performance for a wide range of parameter values (parameter sensitivity), understanding of protocol stability and dynamics, and studying feature ...a wide range of parameter values (parameter sensitivity), understanding of protocol stability and dynamics, and studying feature interactions

Development of an advanced pitch active control system for a wide body jet aircraft

NASA Technical Reports Server (NTRS)

Guinn, Wiley A.; Rising, Jerry J.; Davis, Walt J.

1984-01-01

An advanced PACS control law was developed for a commercial wide-body transport (Lockheed L-1011) by using modern control theory. Validity of the control law was demonstrated by piloted flight simulation tests on the NASA Langley visual motion simulator. The PACS design objective was to develop a PACS that would provide good flying qualities to negative 10 percent static stability margins that were equivalent to those of the baseline aircraft at a 15 percent static stability margin which is normal for the L-1011. Also, the PACS was to compensate for high-Mach/high-g instabilities that degrade flying qualities during upset recoveries and maneuvers. The piloted flight simulation tests showed that the PACS met the design objectives. The simulation demonstrated good flying qualities to negative 20 percent static stability margins for hold, cruise and high-speed flight conditions. Analysis and wind tunnel tests performed on other Lockheed programs indicate that the PACS could be used on an advanced transport configuration to provide a 4 percent fuel savings which results from reduced trim drag by flying at negative static stability margins.

Effect of polarization on the stability of a helix dimer

NASA Astrophysics Data System (ADS)

Wang, Xing Y.; Zhang, John Z. H.

2011-01-01

Molecular dynamics (MD) simulations have been carried out to study helix-helix interaction using both standard AMBER and polarized force fields. Comparison of the two simulations shows that electrostatic polarization of intra-protein hydrogen bonds plays a significant role in stabilizing the structure of helix dimer. This stabilizing effect is clearly demonstrated by examining the monomer structure, helix crossing angle and stability of backbone hydrogen bonds under AMBER and PPC. Since reliable prediction of protein-protein structure is a significant challenge, the current study should help shed light on the importance of electrostatic polarization of protein in helix-helix interaction and helix bundle structures.

A machine learns to predict the stability of circumbinary planets

NASA Astrophysics Data System (ADS)

Lam, Christopher; Kipping, David

2018-06-01

Long-period circumbinary planets appear to be as common as those orbiting single stars and have been found to frequently have orbital radii just beyond the critical distance for dynamical stability. Assessing the stability is typically done either through N-body simulations or using the classic stability criterion first considered by Dvorak and later developed by Holman and Wiegert: a second-order polynomial calibrated to broadly match numerical simulations. However, the polynomial is unable to capture islands of instability introduced by mean motion resonances, causing the accuracy of the criterion to approach that of a random coin-toss when close to the boundary. We show how a deep neural network (DNN) trained on N-body simulations generated with REBOUND is able to significantly improve stability predictions for circumbinary planets on initially coplanar, circular orbits. Specifically, we find that the accuracy of our DNN never drops below 86 per cent, even when tightly surrounding the boundary of instability, and is fast enough to be practical for on-the-fly calls during likelihood evaluations typical of modern Bayesian inference. Our binary classifier DNN is made publicly available at https://github.com/CoolWorlds/orbital-stability.

Model Validation for Propulsion - On the TFNS and LES Subgrid Models for a Bluff Body Stabilized Flame

NASA Technical Reports Server (NTRS)

Wey, Thomas

2017-01-01

This paper summarizes the reacting results of simulating a bluff body stabilized flame experiment of Volvo Validation Rig using a releasable edition of the National Combustion Code (NCC). The turbulence models selected to investigate the configuration are the sub-grid scaled kinetic energy coupled large eddy simulation (K-LES) and the time-filtered Navier-Stokes (TFNS) simulation. The turbulence chemistry interaction used is linear eddy mixing (LEM).

Impact of a large density gradient on linear and nonlinear edge-localized mode simulations

DOE PAGES

Xi, P. W.; Xu, X. Q.; Xia, T. Y.; ...

2013-09-27

Here, the impact of a large density gradient on edge-localized modes (ELMs) is studied linearly and nonlinearly by employing both two-fluid and gyro-fluid simulations. In two-fluid simulations, the ion diamagnetic stabilization on high-n modes disappears when the large density gradient is taken into account. But gyro-fluid simulations show that the finite Larmor radius (FLR) effect can effectively stabilize high-n modes, so the ion diamagnetic effect alone is not sufficient to represent the FLR stabilizing effect. We further demonstrate that additional gyroviscous terms must be kept in the two-fluid model to recover the linear results from the gyro-fluid model. Nonlinear simulations show that the density variation significantly weakens the E × B shearing at the top of the pedestal and thus leads to more energy loss during ELMs. The turbulence spectrum after an ELM crash is measured and has the relation ofmore » $$P(k_{z})\\propto k_{z}^{-3.3}$$ .« less

Atomistic and coarse-grained computer simulations of raft-like lipid mixtures.

PubMed

Pandit, Sagar A; Scott, H Larry

2007-01-01

Computer modeling can provide insights into the existence, structure, size, and thermodynamic stability of localized raft-like regions in membranes. However, the challenges in the construction and simulation of accurate models of heterogeneous membranes are great. The primary obstacle in modeling the lateral organization within a membrane is the relatively slow lateral diffusion rate for lipid molecules. Microsecond or longer time-scales are needed to fully model the formation and stability of a raft in a membra ne. Atomistic simulations currently are not able to reach this scale, but they do provide quantitative information on the intermolecular forces and correlations that are involved in lateral organization. In this chapter, the steps needed to carry out and analyze atomistic simulations of hydrated lipid bilayers having heterogeneous composition are outlined. It is then shown how the data from a molecular dynamics simulation can be used to construct a coarse-grained model for the heterogeneous bilayer that can predict the lateral organization and stability of rafts at up to millisecond time-scales.

Orion Entry, Descent, and Landing Simulation

NASA Technical Reports Server (NTRS)

Hoelscher, Brian R.

2007-01-01

The Orion Entry, Descent, and Landing simulation was created over the past two years to serve as the primary Crew Exploration Vehicle guidance, navigation, and control (GN&C) design and analysis tool at the National Aeronautics and Space Administration (NASA). The Advanced NASA Technology Architecture for Exploration Studies (ANTARES) simulation is a six degree-of-freedom tool with a unique design architecture which has a high level of flexibility. This paper describes the decision history and motivations that guided the creation of this simulation tool. The capabilities of the models within ANTARES are presented in detail. Special attention is given to features of the highly flexible GN&C architecture and the details of the implemented GN&C algorithms. ANTARES provides a foundation simulation for the Orion Project that has already been successfully used for requirements analysis, system definition analysis, and preliminary GN&C design analysis. ANTARES will find useful application in engineering analysis, mission operations, crew training, avionics-in-the-loop testing, etc. This paper focuses on the entry simulation aspect of ANTARES, which is part of a bigger simulation package supporting the entire mission profile of the Orion vehicle. The unique aspects of entry GN&C design are covered, including how the simulation is being used for Monte Carlo dispersion analysis and for support of linear stability analysis. Sample simulation output from ANTARES is presented in an appendix.

Influence of atmospheric stability on wind-turbine wakes: A large-eddy simulation study

NASA Astrophysics Data System (ADS)

Abkar, Mahdi; Porté-Agel, Fernando

2014-05-01

In this study, large-eddy simulation is combined with a turbine model to investigate the influence of atmospheric stability on wind-turbine wakes. In the simulations, subgrid-scale turbulent fluxes are parameterized using tuning-free Lagrangian scale-dependent dynamic models. These models optimize the local value of the model coefficients based on the dynamics of the resolved scales. The turbine-induced forces are parameterized with an actuator-disk model with rotation. In this technique, blade-element theory is used to calculate the lift and drag forces acting on the blades. Emphasis is placed on the structure and characteristics of wind-turbine wakes in the cases where the incident flows to the turbine have the same mean velocity at the hub height but different stability conditions. The simulation results show that atmospheric stability has a significant effect on the spatial distribution of the mean velocity deficit and turbulent fluxes in the wake region. In particular, the magnitude of the velocity deficit increases with increasing stability in the atmosphere. In addition, the locations of the maximum turbulence intensity and turbulent stresses are closer to the turbine in convective boundary layer compared with neutral and stable ones. Detailed analysis of the resolved turbulent kinetic energy (TKE) budget inside the wake reveals also that the thermal stratification of the incoming wind considerably affects the magnitude and spatial distribution of the turbulent production, transport term and dissipation rate (transfer of energy to the subgrid scales). It is also shown that the near-wake region can be extended to a farther distance downstream in stable condition compared with neutral and unstable counterparts. In order to isolate the effect of atmospheric stability, additional simulations of neutrally-stratified atmospheric boundary layers are performed with the same turbulence intensity at hub height as convective and stable ones. The results show that the turbulence intensity alone is not sufficient to describe the impact of atmospheric stability on the wind-turbine wakes.

Multi-flexible-body analysis for application to wind turbine control design

NASA Astrophysics Data System (ADS)

Lee, Donghoon

The objective of the present research is to build a theoretical and computational framework for the aeroelastic analysis of flexible rotating systems, more specifically with special application to a wind turbine control design. The methodology is based on the integration of Kane's approach for the analysis of the multi-rigid-body subsystem and a mixed finite element method for the analysis of the flexible-body subsystem. The combined analysis is then strongly coupled with an aerodynamic model based on Blade Element Momentum theory for inflow model. The unified framework from the analysis of subsystems is represented as, in a symbolic manner, a set of nonlinear ordinary differential equations with time-variant, periodic coefficients, which describe the aeroelastic behavior of whole system. The framework can be directly applied to control design due to its symbolic characteristics. The solution procedures for the equations are presented for the study of nonlinear simulation, periodic steady-state solution, and Floquet stability of the linearized system about the steady-state solution. Finally the linear periodic system equation can be obtained with both system and control matrices as explicit functions of time, which can be directly applicable to control design. The structural model is validated by comparison of its results with those from software, some of which is commercial. The stability of the linearized system about periodic steady-state solution is different from that obtained about a constant steady-state solution, which have been conventional in the field of wind turbine dynamics. Parametric studies are performed on a wind turbine model with various pitch angles, precone angles, and rotor speeds. Combined with composite material, their effects on wind turbine aeroelastic stability are investigated. Finally it is suggested that the aeroelastic stability analysis and control design for the whole system is crucial for the design of wind turbines, and the present research breaks new ground in the ability to treat the issue.

46 CFR 170.160 - Specific applicability.

Code of Federal Regulations, 2012 CFR

2012-10-01

...) A vessel that performs one of the simplified stability proof tests described in subpart C of part... COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) SUBDIVISION AND STABILITY STABILITY REQUIREMENTS FOR ALL INSPECTED VESSELS Intact Stability Criteria § 170.160 Specific applicability. (a) Except...

46 CFR 170.160 - Specific applicability.

Code of Federal Regulations, 2011 CFR

2011-10-01

...) A vessel that performs one of the simplified stability proof tests described in subpart C of part... COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) SUBDIVISION AND STABILITY STABILITY REQUIREMENTS FOR ALL INSPECTED VESSELS Intact Stability Criteria § 170.160 Specific applicability. (a) Except...

46 CFR 170.160 - Specific applicability.

Code of Federal Regulations, 2014 CFR

2014-10-01

...) A vessel that performs one of the simplified stability proof tests described in subpart C of part... COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) SUBDIVISION AND STABILITY STABILITY REQUIREMENTS FOR ALL INSPECTED VESSELS Intact Stability Criteria § 170.160 Specific applicability. (a) Except...

46 CFR 170.160 - Specific applicability.

Code of Federal Regulations, 2013 CFR

2013-10-01

...) A vessel that performs one of the simplified stability proof tests described in subpart C of part... COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) SUBDIVISION AND STABILITY STABILITY REQUIREMENTS FOR ALL INSPECTED VESSELS Intact Stability Criteria § 170.160 Specific applicability. (a) Except...

Creation of artificial skyrmions and antiskyrmions by anisotropy engineering

NASA Astrophysics Data System (ADS)

Zhang, S.; Petford-Long, A. K.; Phatak, C.

2016-08-01

Topologically non-trivial spin textures form a fundamental paradigm in solid-state physics and present unique opportunities to explore exciting phenomena such as the topological Hall effect. One such texture is a skyrmion, in which the spins can be mapped to point in all directions wrapping around a sphere. Understanding the formation of these spin textures, and their energetic stability, is crucial in order to control their behavior. In this work, we report on controlling the perpendicular anisotropy of continuous Co/Pt multilayer films with ion irradiation to form unique spin configurations of artificial skyrmions and antiskyrmions that are stabilized by their demagnetization energy. We elucidate their behavior using aberration-corrected Lorentz transmission electron microscopy. We also discuss the energetic stability of these structures studied through in-situ magnetizing experiments performed at room temperature, combined with micromagnetic simulations that successfully reproduce the spin textures and behavior. This research offers new opportunities towards creation of artificial skyrmion or antiskyrmion lattices that can be used to investigate not only fundamental properties of their interaction with electron currents but also technological applications such as artificial magnonic crystals.

Attitude output feedback control for rigid spacecraft with finite-time convergence.

PubMed

Hu, Qinglei; Niu, Guanglin

2017-09-01

The main problem addressed is the quaternion-based attitude stabilization control of rigid spacecraft without angular velocity measurements in the presence of external disturbances and reaction wheel friction as well. As a stepping stone, an angular velocity observer is proposed for the attitude control of a rigid body in the absence of angular velocity measurements. The observer design ensures finite-time convergence of angular velocity state estimation errors irrespective of the control torque or the initial attitude state of the spacecraft. Then, a novel finite-time control law is employed as the controller in which the estimate of the angular velocity is used directly. It is then shown that the observer and the controlled system form a cascaded structure, which allows the application of the finite-time stability theory of cascaded systems to prove the finite-time stability of the closed-loop system. A rigorous analysis of the proposed formulation is provided and numerical simulation studies are presented to help illustrate the effectiveness of the angular-velocity observer for rigid spacecraft attitude control. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.

Stability of recursive out-of-sequence measurement filters: an open problem

NASA Astrophysics Data System (ADS)

Chen, Lingji; Moshtagh, Nima; Mehra, Raman K.

2011-06-01

In many applications where communication delays are present, measurements with earlier time stamps can arrive out-of-sequence, i.e., after state estimates have been obtained for the current time instant. To incorporate such an Out-Of-Sequence Measurement (OOSM), many algorithms have been proposed in the literature to obtain or approximate the optimal estimate that would have been obtained if the OOSM had arrived in-sequence. When OOSM occurs repeatedly, approximate estimations as a result of incorporating one OOSM have to serve as the basis for incorporating yet another OOSM. The question of whether the "approximation of approximation" is well behaved, i.e., whether approximation errors accumulate in a recursive setting, has not been adequately addressed in the literature. This paper draws attention to the stability question of recursive OOSM processing filters, formulates the problem in a specific setting, and presents some simulation results that suggest that such filters are indeed well-behaved. Our hope is that more research will be conducted in the future to rigorously establish stability properties of these filters.

A dynamic feedforward neural network based on gaussian particle swarm optimization and its application for predictive control.

PubMed

Han, Min; Fan, Jianchao; Wang, Jun

2011-09-01

A dynamic feedforward neural network (DFNN) is proposed for predictive control, whose adaptive parameters are adjusted by using Gaussian particle swarm optimization (GPSO) in the training process. Adaptive time-delay operators are added in the DFNN to improve its generalization for poorly known nonlinear dynamic systems with long time delays. Furthermore, GPSO adopts a chaotic map with Gaussian function to balance the exploration and exploitation capabilities of particles, which improves the computational efficiency without compromising the performance of the DFNN. The stability of the particle dynamics is analyzed, based on the robust stability theory, without any restrictive assumption. A stability condition for the GPSO+DFNN model is derived, which ensures a satisfactory global search and quick convergence, without the need for gradients. The particle velocity ranges could change adaptively during the optimization process. The results of a comparative study show that the performance of the proposed algorithm can compete with selected algorithms on benchmark problems. Additional simulation results demonstrate the effectiveness and accuracy of the proposed combination algorithm in identifying and controlling nonlinear systems with long time delays.

Reliably Modeling the Mechanical Stability of Rigid and Flexible Metal–Organic Frameworks

PubMed Central

2017-01-01

Conspectus Over the past two decades, metal–organic frameworks (MOFs) have matured from interesting academic peculiarities toward a continuously expanding class of hybrid, nanoporous materials tuned for targeted technological applications such as gas storage and heterogeneous catalysis. These oft-times crystalline materials, composed of inorganic moieties interconnected by organic ligands, can be endowed with desired structural and chemical features by judiciously functionalizing or substituting these building blocks. As a result of this reticular synthesis, MOF research is situated at the intriguing intersection between chemistry and physics, and the building block approach could pave the way toward the construction of an almost infinite number of possible crystalline structures, provided that they exhibit stability under the desired operational conditions. However, this enormous potential is largely untapped to date, as MOFs have not yet found a major breakthrough in technological applications. One of the remaining challenges for this scale-up is the densification of MOF powders, which is generally achieved by subjecting the material to a pressurization step. However, application of an external pressure may substantially alter the chemical and physical properties of the material. A reliable theoretical guidance that can presynthetically identify the most stable materials could help overcome this technological challenge. In this Account, we describe the recent research the progress on computational characterization of the mechanical stability of MOFs. So far, three complementary approaches have been proposed, focusing on different aspects of mechanical stability: (i) the Born stability criteria, (ii) the anisotropy in mechanical moduli such as the Young and shear moduli, and (iii) the pressure-versus-volume equations of state. As these three methods are grounded in distinct computational approaches, it is expected that their accuracy and efficiency will vary. To date, however, it is unclear which set of properties are suited and reliable for a given application, as a comprehensive comparison for a broad variety of MOFs is absent, impeding the widespread use of these theoretical frameworks. Herein, we fill this gap by critically assessing the performance of the three computational models on a broad set of MOFs that are representative for current applications. These materials encompass the mechanically rigid UiO-66(Zr) and MOF-5(Zn) as well as the flexible MIL-47(V) and MIL-53(Al), which undergo pressure-induced phase transitions. It is observed that the Born stability criteria and pressure-versus-volume equations of state give complementary insight into the macroscopic and microscopic origins of instability, respectively. However, interpretation of the Born stability criteria becomes increasingly difficult when less symmetric materials are considered. Moreover, pressure fluctuations during the simulations hamper their accuracy for flexible materials. In contrast, the pressure-versus-volume equations of state are determined in a thermodynamic ensemble specifically targeted to mitigate the effects of these instantaneous fluctuations, yielding more accurate results. The critical Account presented here paves the way toward a solid computational framework for an extensive presynthetic screening of MOFs to select those that are mechanically stable and can be postsynthetically densified before their use in targeted applications. PMID:29155552

Reliably Modeling the Mechanical Stability of Rigid and Flexible Metal-Organic Frameworks.

PubMed

Rogge, Sven M J; Waroquier, Michel; Van Speybroeck, Veronique

2018-01-16

Over the past two decades, metal-organic frameworks (MOFs) have matured from interesting academic peculiarities toward a continuously expanding class of hybrid, nanoporous materials tuned for targeted technological applications such as gas storage and heterogeneous catalysis. These oft-times crystalline materials, composed of inorganic moieties interconnected by organic ligands, can be endowed with desired structural and chemical features by judiciously functionalizing or substituting these building blocks. As a result of this reticular synthesis, MOF research is situated at the intriguing intersection between chemistry and physics, and the building block approach could pave the way toward the construction of an almost infinite number of possible crystalline structures, provided that they exhibit stability under the desired operational conditions. However, this enormous potential is largely untapped to date, as MOFs have not yet found a major breakthrough in technological applications. One of the remaining challenges for this scale-up is the densification of MOF powders, which is generally achieved by subjecting the material to a pressurization step. However, application of an external pressure may substantially alter the chemical and physical properties of the material. A reliable theoretical guidance that can presynthetically identify the most stable materials could help overcome this technological challenge. In this Account, we describe the recent research the progress on computational characterization of the mechanical stability of MOFs. So far, three complementary approaches have been proposed, focusing on different aspects of mechanical stability: (i) the Born stability criteria, (ii) the anisotropy in mechanical moduli such as the Young and shear moduli, and (iii) the pressure-versus-volume equations of state. As these three methods are grounded in distinct computational approaches, it is expected that their accuracy and efficiency will vary. To date, however, it is unclear which set of properties are suited and reliable for a given application, as a comprehensive comparison for a broad variety of MOFs is absent, impeding the widespread use of these theoretical frameworks. Herein, we fill this gap by critically assessing the performance of the three computational models on a broad set of MOFs that are representative for current applications. These materials encompass the mechanically rigid UiO-66(Zr) and MOF-5(Zn) as well as the flexible MIL-47(V) and MIL-53(Al), which undergo pressure-induced phase transitions. It is observed that the Born stability criteria and pressure-versus-volume equations of state give complementary insight into the macroscopic and microscopic origins of instability, respectively. However, interpretation of the Born stability criteria becomes increasingly difficult when less symmetric materials are considered. Moreover, pressure fluctuations during the simulations hamper their accuracy for flexible materials. In contrast, the pressure-versus-volume equations of state are determined in a thermodynamic ensemble specifically targeted to mitigate the effects of these instantaneous fluctuations, yielding more accurate results. The critical Account presented here paves the way toward a solid computational framework for an extensive presynthetic screening of MOFs to select those that are mechanically stable and can be postsynthetically densified before their use in targeted applications.

Stability of nanocrystalline Ni-based alloys: coupling Monte Carlo and molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Waseda, O.; Goldenstein, H.; Silva, G. F. B. Lenz e.; Neiva, A.; Chantrenne, P.; Morthomas, J.; Perez, M.; Becquart, C. S.; Veiga, R. G. A.

2017-10-01

The thermal stability of nanocrystalline Ni due to small additions of Mo or W (up to 1 at%) was investigated in computer simulations by means of a combined Monte Carlo (MC)/molecular dynamics (MD) two-steps approach. In the first step, energy-biased on-lattice MC revealed segregation of the alloying elements to grain boundaries. However, the condition for the thermodynamic stability of these nanocrystalline Ni alloys (zero grain boundary energy) was not fulfilled. Subsequently, MD simulations were carried out for up to 0.5 μs at 1000 K. At this temperature, grain growth was hindered for minimum global concentrations of 0.5 at% W and 0.7 at% Mo, thus preserving most of the nanocrystalline structure. This is in clear contrast to a pure Ni model system, for which the transformation into a monocrystal was observed in MD simulations within 0.2 μs at the same temperature. These results suggest that grain boundary segregation of low-soluble alloying elements in low-alloyed systems can produce high-temperature metastable nanocrystalline materials. MD simulations carried out at 1200 K for 1 at% Mo/W showed significant grain boundary migration accompanied by some degree of solute diffusion, thus providing additional evidence that solute drag mostly contributed to the nanostructure stability observed at lower temperature.

Polarizable Molecular Dynamics in a Polarizable Continuum Solvent

PubMed Central

Lipparini, Filippo; Lagardère, Louis; Raynaud, Christophe; Stamm, Benjamin; Cancès, Eric; Mennucci, Benedetta; Schnieders, Michael; Ren, Pengyu; Maday, Yvon; Piquemal, Jean-Philip

2015-01-01

We present for the first time scalable polarizable molecular dynamics (MD) simulations within a polarizable continuum solvent with molecular shape cavities and exact solution of the mutual polarization. The key ingredients are a very efficient algorithm for solving the equations associated with the polarizable continuum, in particular, the domain decomposition Conductor-like Screening Model (ddCOSMO), a rigorous coupling of the continuum with the polarizable force field achieved through a robust variational formulation and an effective strategy to solve the coupled equations. The coupling of ddCOSMO with non variational force fields, including AMOEBA, is also addressed. The MD simulations are feasible, for real life systems, on standard cluster nodes; a scalable parallel implementation allows for further speed up in the context of a newly developed module in Tinker, named Tinker-HP. NVE simulations are stable and long term energy conservation can be achieved. This paper is focused on the methodological developments, on the analysis of the algorithm and on the stability of the simulations; a proof-of-concept application is also presented to attest the possibilities of this newly developed technique. PMID:26516318

Accelerating atomistic simulations through self-learning bond-boost hyperdynamics

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

Perez, Danny; Voter, Arthur F

2008-01-01

By altering the potential energy landscape on which molecular dynamics are carried out, the hyperdynamics method of Voter enables one to significantly accelerate the simulation state-to-state dynamics of physical systems. While very powerful, successful application of the method entails solving the subtle problem of the parametrization of the so-called bias potential. In this study, we first clarify the constraints that must be obeyed by the bias potential and demonstrate that fast sampling of the biased landscape is key to the obtention of proper kinetics. We then propose an approach by which the bond boost potential of Miron and Fichthorn canmore » be safely parametrized based on data acquired in the course of a molecular dynamics simulation. Finally, we introduce a procedure, the Self-Learning Bond Boost method, in which the parametrization is step efficiently carried out on-the-fly for each new state that is visited during the simulation by safely ramping up the strength of the bias potential up to its optimal value. The stability and accuracy of the method are demonstrated.« less

Design and simulation of different multilayer solar selective coatings for solar thermal applications

NASA Astrophysics Data System (ADS)

El-Mahallawy, Nahed; Atia, Mostafa R. A.; Khaled, Amany; Shoeib, Madiha

2018-04-01

Research has adopted lately the improvement of solar collectors’ efficiency and durability by coating its surface with special selective coatings. The selectivity of any coat is governed by the ratio between the absorptivity of this coat in the UV range to its emissivity in the IR range (named selectivity). There emerged a need of using simulation software to estimate the effect of different elements and compounds on the optical properties before getting into experimental analysis. Several research has discussed the stability and durability of the coats under high temperature conditions since it was proved that the coat efficiency increases at high temperature; i.e. being more selective. This research has approached the simulation of different metal(M) / metal oxide (MOx) based tandems in order to obtain promising selective properties that can be taken into further experimental investigation. Five metals and six metal oxides were chosen based on previous literature to be simulated using OpenFilters open source software and results were analyzed. Oxides of tungsten, copper and silicon have shown superior selective results through different layering techniques than others.

A Computational Study of a Circular Interface Richtmyer-Meshkov Instability in MHD

NASA Astrophysics Data System (ADS)

Maxon, William; Black, Wolfgang; Denissen, Nicholas; McFarland, Jacob; Los Alamos National Laboratory Collaboration; University of Missouri Shock Tube Laboratory Team

2017-11-01

The Richtmyer-Meshkov instability (RMI) is a hydrodynamic instability that appears in several high energy density applications such as inertial confinement fusion (ICF). In ICF, as the thermonuclear fuel is being compressed it begins to mix due to fluid instabilities including the RMI. This mixing greatly decreases the energy output. The RMI occurs when two fluids of different densities are impulsively accelerated and the pressure and density gradients are misaligned. In magnetohydrodynamics (MHD), the RMI may be suppressed by introducing a magnetic field in an electrically conducting fluid, such as a plasma. This suppression has been studied as a possible mechanism for improving confinement in ICF targets. In this study,ideal MHD simulations are performed with a circular interface impulsively accelerated by a shock wave in the presence of a magnetic field. These simulations are executed with the research code FLAG, a multiphysics, arbitrary Lagrangian/Eulerian, hydrocode developed and utilized at Los Alamos National Laboratory. The simulation results will be assessed both quantitatively and qualitatively to examine the stabilization mechanism. These simulations will guide ongoing MHD experiments at the University of Missouri Shock Tube Facility.