Non-destructive digital imaging in poplar allows detailed analysis of adventitious rooting dynamics

Treesearch

R.J. Kodrzycki; R.B. Michaels; A.L. Friend; R.S. Zalesny; Ch.P. Mawata; D.W. McDonald

2008-01-01

The dynamics of root formation are difficult to observe directly over time without disturbing the rooting environment. A novel system for a non-destructive, non-invasive root analysis (RootViz FS, Phenotype Screening Corp.) was evaluated for its ability to analyze root formation from cuttings over a 32 day period in three poplar genotypes (DN70, P. Deltoides x...

Specialized data analysis of SSME and advanced propulsion system vibration measurements

NASA Technical Reports Server (NTRS)

Coffin, Thomas; Swanson, Wayne L.; Jong, Yen-Yi

1993-01-01

The basic objectives of this contract were to perform detailed analysis and evaluation of dynamic data obtained during Space Shuttle Main Engine (SSME) test and flight operations, including analytical/statistical assessment of component dynamic performance, and to continue the development and implementation of analytical/statistical models to effectively define nominal component dynamic characteristics, detect anomalous behavior, and assess machinery operational conditions. This study was to provide timely assessment of engine component operational status, identify probable causes of malfunction, and define feasible engineering solutions. The work was performed under three broad tasks: (1) Analysis, Evaluation, and Documentation of SSME Dynamic Test Results; (2) Data Base and Analytical Model Development and Application; and (3) Development and Application of Vibration Signature Analysis Techniques.

Nonlinear Light Dynamics in Multi-Core Structures

DTIC Science & Technology

2017-02-27

be generated in continuous- discrete optical media such as multi-core optical fiber or waveguide arrays; localisation dynamics in a continuous... discrete nonlinear system. Detailed theoretical analysis is presented of the existence and stability of the discrete -continuous light bullets using a very...and pulse compression using wave collapse (self-focusing) energy localisation dynamics in a continuous- discrete nonlinear system, as implemented in a

Dynamic analysis of CO₂ labeling and cell respiration using membrane-inlet mass spectrometry.

PubMed

Yang, Tae Hoon

2014-01-01

Here, we introduce a mass spectrometry-based analytical method and relevant technical details for dynamic cell respiration and CO2 labeling analysis. Such measurements can be utilized as additional information and constraints for model-based (13)C metabolic flux analysis. Dissolved dynamics of oxygen consumption and CO2 mass isotopomer evolution from (13)C-labeled tracer substrates through different cellular processes can be precisely measured on-line using a miniaturized reactor system equipped with a membrane-inlet mass spectrometer. The corresponding specific rates of physiologically relevant gases and CO2 mass isotopomers can be quantified within a short-term range based on the liquid-phase dynamics of dissolved fermentation gases.

Dynamical systems analysis of phantom dark energy models

NASA Astrophysics Data System (ADS)

Roy, Nandan; Bhadra, Nivedita

2018-06-01

In this work, we study the dynamical systems analysis of phantom dark energy models considering five different potentials. From the analysis of these five potentials we have found a general parametrization of the scalar field potentials which is obeyed by many other potentials. Our investigation shows that there is only one fixed point which could be the beginning of the universe. However, future destiny has many possible options. A detailed numerical analysis of the system has been presented. The observed late time behaviour in this analysis shows very good agreement with the recent observations.

Geometric and dynamic perspectives on phase-coherent and noncoherent chaos.

PubMed

Zou, Yong; Donner, Reik V; Kurths, Jürgen

2012-03-01

Statistically distinguishing between phase-coherent and noncoherent chaotic dynamics from time series is a contemporary problem in nonlinear sciences. In this work, we propose different measures based on recurrence properties of recorded trajectories, which characterize the underlying systems from both geometric and dynamic viewpoints. The potentials of the individual measures for discriminating phase-coherent and noncoherent chaotic oscillations are discussed. A detailed numerical analysis is performed for the chaotic Rössler system, which displays both types of chaos as one control parameter is varied, and the Mackey-Glass system as an example of a time-delay system with noncoherent chaos. Our results demonstrate that especially geometric measures from recurrence network analysis are well suited for tracing transitions between spiral- and screw-type chaos, a common route from phase-coherent to noncoherent chaos also found in other nonlinear oscillators. A detailed explanation of the observed behavior in terms of attractor geometry is given.

Tracking the Spatiotemporal Neural Dynamics of Real-world Object Size and Animacy in the Human Brain.

PubMed

Khaligh-Razavi, Seyed-Mahdi; Cichy, Radoslaw Martin; Pantazis, Dimitrios; Oliva, Aude

2018-06-07

Animacy and real-world size are properties that describe any object and thus bring basic order into our perception of the visual world. Here, we investigated how the human brain processes real-world size and animacy. For this, we applied representational similarity to fMRI and MEG data to yield a view of brain activity with high spatial and temporal resolutions, respectively. Analysis of fMRI data revealed that a distributed and partly overlapping set of cortical regions extending from occipital to ventral and medial temporal cortex represented animacy and real-world size. Within this set, parahippocampal cortex stood out as the region representing animacy and size stronger than most other regions. Further analysis of the detailed representational format revealed differences among regions involved in processing animacy. Analysis of MEG data revealed overlapping temporal dynamics of animacy and real-world size processing starting at around 150 msec and provided the first neuromagnetic signature of real-world object size processing. Finally, to investigate the neural dynamics of size and animacy processing simultaneously in space and time, we combined MEG and fMRI with a novel extension of MEG-fMRI fusion by representational similarity. This analysis revealed partly overlapping and distributed spatiotemporal dynamics, with parahippocampal cortex singled out as a region that represented size and animacy persistently when other regions did not. Furthermore, the analysis highlighted the role of early visual cortex in representing real-world size. A control analysis revealed that the neural dynamics of processing animacy and size were distinct from the neural dynamics of processing low-level visual features. Together, our results provide a detailed spatiotemporal view of animacy and size processing in the human brain.

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

PubMed

Yoneda, Shigetaka; Sugawara, Yoko; Urabe, Hisako

2005-01-27

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

Comparative Investigation of Normal Modes and Molecular Dynamics of Hepatitis C NS5B Protein

NASA Astrophysics Data System (ADS)

Asafi, M. S.; Yildirim, A.; Tekpinar, M.

2016-04-01

Understanding dynamics of proteins has many practical implications in terms of finding a cure for many protein related diseases. Normal mode analysis and molecular dynamics methods are widely used physics-based computational methods for investigating dynamics of proteins. In this work, we studied dynamics of Hepatitis C NS5B protein with molecular dynamics and normal mode analysis. Principal components obtained from a 100 nanoseconds molecular dynamics simulation show good overlaps with normal modes calculated with a coarse-grained elastic network model. Coarse-grained normal mode analysis takes at least an order of magnitude shorter time. Encouraged by this good overlaps and short computation times, we analyzed further low frequency normal modes of Hepatitis C NS5B. Motion directions and average spatial fluctuations have been analyzed in detail. Finally, biological implications of these motions in drug design efforts against Hepatitis C infections have been elaborated.

Dynamic deformation analysis of light-weight mirror

NASA Astrophysics Data System (ADS)

Zhang, Yingtao; Cao, Xuedong; Kuang, Long; Yang, Wei

2012-10-01

In the process of optical dynamic target work, under the effort of the arm of dynamic target, the mirror needs to do circular motion, additional accelerated motion and uniform motion. The maximum acceleration is 10°/s2 and the maximum velocity is 30°/s. In this paper, we mostly analyze the dynamic deformation of a 600 mm honeycomb light-weight mirror of a certain dynamic target. Using the FEA (finite element analysis) method, first of all, we analyze the deformation of the light-weight mirror induced in gravity at different position; later, the dynamic deformation of light-weight mirror is analyzed in detailed. The analysis results indicate that, when the maximum acceleration is 10°/s2 and the maximum velocity is 30°/s, the centripetal force is 5% of the gravity at the equal mass, and the dynamic deformation of the mirror is 6.1% of the deformation induced by gravity.

Application of the GRC Stirling Convertor System Dynamic Model

NASA Technical Reports Server (NTRS)

Regan, Timothy F.; Lewandowski, Edward J.; Schreiber, Jeffrey G. (Technical Monitor)

2004-01-01

The GRC Stirling Convertor System Dynamic Model (SDM) has been developed to simulate dynamic performance of power systems incorporating free-piston Stirling convertors. This paper discusses its use in evaluating system dynamics and other systems concerns. Detailed examples are provided showing the use of the model in evaluation of off-nominal operating conditions. The many degrees of freedom in both the mechanical and electrical domains inherent in the Stirling convertor and the nonlinear dynamics make simulation an attractive analysis tool in conjunction with classical analysis. Application of SDM in studying the relationship of the size of the resonant circuit quality factor (commonly referred to as Q) in the various resonant mechanical and electrical sub-systems is discussed.

Preliminary shuttle structural dynamics modeling design study

NASA Technical Reports Server (NTRS)

1972-01-01

The design and development of a structural dynamics model of the space shuttle are discussed. The model provides for early study of structural dynamics problems, permits evaluation of the accuracy of the structural and hydroelastic analysis methods used on test vehicles, and provides for efficiently evaluating potential cost savings in structural dynamic testing techniques. The discussion is developed around the modes in which major input forces and responses occur and the significant structural details in these modes.

Modelling, simulation and applications of longitudinal train dynamics

NASA Astrophysics Data System (ADS)

Cole, Colin; Spiryagin, Maksym; Wu, Qing; Sun, Yan Quan

2017-10-01

Significant developments in longitudinal train simulation and an overview of the approaches to train models and modelling vehicle force inputs are firstly presented. The most important modelling task, that of the wagon connection, consisting of energy absorption devices such as draft gears and buffers, draw gear stiffness, coupler slack and structural stiffness is then presented. Detailed attention is given to the modelling approaches for friction wedge damped and polymer draft gears. A significant issue in longitudinal train dynamics is the modelling and calculation of the input forces - the co-dimensional problem. The need to push traction performances higher has led to research and improvement in the accuracy of traction modelling which is discussed. A co-simulation method that combines longitudinal train simulation, locomotive traction control and locomotive vehicle dynamics is presented. The modelling of other forces, braking propulsion resistance, curve drag and grade forces are also discussed. As extensions to conventional longitudinal train dynamics, lateral forces and coupler impacts are examined in regards to interaction with wagon lateral and vertical dynamics. Various applications of longitudinal train dynamics are then presented. As an alternative to the tradition single wagon mass approach to longitudinal train dynamics, an example incorporating fully detailed wagon dynamics is presented for a crash analysis problem. Further applications of starting traction, air braking, distributed power, energy analysis and tippler operation are also presented.

A Graphical User Interface for Software-assisted Tracking of Protein Concentration in Dynamic Cellular Protrusions.

PubMed

Saha, Tanumoy; Rathmann, Isabel; Galic, Milos

2017-07-11

Filopodia are dynamic, finger-like cellular protrusions associated with migration and cell-cell communication. In order to better understand the complex signaling mechanisms underlying filopodial initiation, elongation and subsequent stabilization or retraction, it is crucial to determine the spatio-temporal protein activity in these dynamic structures. To analyze protein function in filopodia, we recently developed a semi-automated tracking algorithm that adapts to filopodial shape-changes, thus allowing parallel analysis of protrusion dynamics and relative protein concentration along the whole filopodial length. Here, we present a detailed step-by-step protocol for optimized cell handling, image acquisition and software analysis. We further provide instructions for the use of optional features during image analysis and data representation, as well as troubleshooting guidelines for all critical steps along the way. Finally, we also include a comparison of the described image analysis software with other programs available for filopodia quantification. Together, the presented protocol provides a framework for accurate analysis of protein dynamics in filopodial protrusions using image analysis software.

Operation of the Institute for Computer Applications in Science and Engineering

NASA Technical Reports Server (NTRS)

1975-01-01

The ICASE research program is described in detail; it consists of four major categories: (1) efficient use of vector and parallel computers, with particular emphasis on the CDC STAR-100; (2) numerical analysis, with particular emphasis on the development and analysis of basic numerical algorithms; (3) analysis and planning of large-scale software systems; and (4) computational research in engineering and the natural sciences, with particular emphasis on fluid dynamics. The work in each of these areas is described in detail; other activities are discussed, a prognosis of future activities are included.

Dynamic assertion testing of flight control software

NASA Technical Reports Server (NTRS)

Andrews, D. M.; Mahmood, A.; Mccluskey, E. J.

1985-01-01

An experiment in using assertions to dynamically test fault tolerant flight software is described. The experiment showed that 87% of typical errors introduced into the program would be detected by assertions. Detailed analysis of the test data showed that the number of assertions needed to detect those errors could be reduced to a minimal set. The analysis also revealed that the most effective assertions tested program parameters that provided greater indirect (collateral) testing of other parameters.

Three-Dimensional Numerical Analyses of Earth Penetration Dynamics

DTIC Science & Technology

1979-01-31

Lagrangian formulation based on the HEMP method and has been adapted and validated for treatment of normal-incidence (axisymmetric) impact and...code, is a detailed analysis of the structural response of the EPW. This analysis is generated using a nonlinear dynamic, elastic- plastic finite element...based on the HEMP scheme. Thus, the code has the same material modeling capabilities and abilities to track large scale motion found in the WAVE-L code

Analysis, Modeling, and Simulation (AMS) Testbed Development and Evaluation to Support Dynamic Mobility Applications (DMA) and Active Transportation and Demand Management (ATDM) Programs - AMS Testbed Detailed Requirements

DOT National Transportation Integrated Search

2016-04-20

The primary objective of this project is to develop multiple simulation Testbeds/transportation models to evaluate the impacts of DMA connected vehicle applications and the active and dynamic transportation management (ATDM) strategies. The outputs (...

Principal component analysis for protein folding dynamics.

PubMed

Maisuradze, Gia G; Liwo, Adam; Scheraga, Harold A

2009-01-09

Protein folding is considered here by studying the dynamics of the folding of the triple beta-strand WW domain from the Formin-binding protein 28. Starting from the unfolded state and ending either in the native or nonnative conformational states, trajectories are generated with the coarse-grained united residue (UNRES) force field. The effectiveness of principal components analysis (PCA), an already established mathematical technique for finding global, correlated motions in atomic simulations of proteins, is evaluated here for coarse-grained trajectories. The problems related to PCA and their solutions are discussed. The folding and nonfolding of proteins are examined with free-energy landscapes. Detailed analyses of many folding and nonfolding trajectories at different temperatures show that PCA is very efficient for characterizing the general folding and nonfolding features of proteins. It is shown that the first principal component captures and describes in detail the dynamics of a system. Anomalous diffusion in the folding/nonfolding dynamics is examined by the mean-square displacement (MSD) and the fractional diffusion and fractional kinetic equations. The collisionless (or ballistic) behavior of a polypeptide undergoing Brownian motion along the first few principal components is accounted for.

A Dynamic Calibration Method for Experimental and Analytical Hub Load Comparison

NASA Technical Reports Server (NTRS)

Kreshock, Andrew R.; Thornburgh, Robert P.; Wilbur, Matthew L.

2017-01-01

This paper presents the results from an ongoing effort to produce improved correlation between analytical hub force and moment prediction and those measured during wind-tunnel testing on the Aeroelastic Rotor Experimental System (ARES), a conventional rotor testbed commonly used at the Langley Transonic Dynamics Tunnel (TDT). A frequency-dependent transformation between loads at the rotor hub and outputs of the testbed balance is produced from frequency response functions measured during vibration testing of the system. The resulting transformation is used as a dynamic calibration of the balance to transform hub loads predicted by comprehensive analysis into predicted balance outputs. In addition to detailing the transformation process, this paper also presents a set of wind-tunnel test cases, with comparisons between the measured balance outputs and transformed predictions from the comprehensive analysis code CAMRAD II. The modal response of the testbed is discussed and compared to a detailed finite-element model. Results reveal that the modal response of the testbed exhibits a number of characteristics that make accurate dynamic balance predictions challenging, even with the use of the balance transformation.

General approach and scope. [rotor blade design optimization

NASA Technical Reports Server (NTRS)

Adelman, Howard M.; Mantay, Wayne R.

1989-01-01

This paper describes a joint activity involving NASA and Army researchers at the NASA Langley Research Center to develop optimization procedures aimed at improving the rotor blade design process by integrating appropriate disciplines and accounting for all of the important interactions among the disciplines. The disciplines involved include rotor aerodynamics, rotor dynamics, rotor structures, airframe dynamics, and acoustics. The work is focused on combining these five key disciplines in an optimization procedure capable of designing a rotor system to satisfy multidisciplinary design requirements. Fundamental to the plan is a three-phased approach. In phase 1, the disciplines of blade dynamics, blade aerodynamics, and blade structure will be closely coupled, while acoustics and airframe dynamics will be decoupled and be accounted for as effective constraints on the design for the first three disciplines. In phase 2, acoustics is to be integrated with the first three disciplines. Finally, in phase 3, airframe dynamics will be fully integrated with the other four disciplines. This paper deals with details of the phase 1 approach and includes details of the optimization formulation, design variables, constraints, and objective function, as well as details of discipline interactions, analysis methods, and methods for validating the procedure.

Dynamical phenomena in fast sliding nanotube models

NASA Astrophysics Data System (ADS)

Zhang, X. H.; Santoro, G. E.; Tartaglino, U.; Tosatti, E.

2013-03-01

The experimentally known fact that coaxial carbon nanotubes can be forced to slide one inside the other stimulated in the past much detailed modelling of the dynamical sliding process. Molecular dynamics simulations of sliding coaxial nanotubes showed the existence of strong frictional peaks when, at large speed, one tube excites the other with a 'washboard' frequency that happens to resonate with some intrinsic vibration frequency. At some of these special speeds we discover a striking example of dynamical symmetry breaking taking place at the nanoscale. Even when both nanotubes are perfectly left-right symmetric and nonchiral, precisely in correspondence with the large peaks of sliding friction occurring at a series of critical sliding velocities, a nonzero angular momentum spontaneously appears. A detailed analysis shows that this internal angular momentum is of phonon origin, in particular arising from preferential excitation of a right polarized (or, with equal probability, of a left polarized) outer-tube 'pseudorotation' mode, thus spontaneously breaking their exact twofold right-left degeneracy. We present and discuss a detailed analysis of nonlinear continuum equations governing this phenomenon, showing the close similarity of this phenomenon with the well-known rotational instability of a forced string, which takes place under sufficiently strong periodic forcing of the string. We also point out new elements appearing in the present problem which are 'nano', in particular the involvement of Umklapp processes and the role of sliding nanofriction.

Incorporation of a Variable Discharge Coefficient for the Primary Orifice into the Benet Labs Recoil Analysis Model via Results from Quasi-Steady State Simulations Using Computational Fluid Dynamics

DTIC Science & Technology

2008-03-01

Appendix 82 MatLab© Cd Calculator Routine FORTRAN© Subroutine of the Variable Cd Model ii ABBREVIATIONS & ACRONYMS Cd...Figure 29. Overview Flowchart of Benét Labs Recoil Analysis Code Figure 30. Overview Flowchart of Recoil Brake Subroutine Figure 31...Detail Flowchart of Recoil Pressure/Force Calculations Figure 32. Detail Flowchart of Variable Cd Subroutine Figure 33. Simulated Brake

Atomistic details of protein dynamics and the role of hydration water

DOE PAGES

Khodadadi, Sheila; Sokolov, Alexei P.

2016-05-04

The importance of protein dynamics for their biological activity is nowwell recognized. Different experimental and computational techniques have been employed to study protein dynamics, hierarchy of different processes and the coupling between protein and hydration water dynamics. But, understanding the atomistic details of protein dynamics and the role of hydration water remains rather limited. Based on overview of neutron scattering, molecular dynamic simulations, NMR and dielectric spectroscopy results we present a general picture of protein dynamics covering time scales from faster than ps to microseconds and the influence of hydration water on different relaxation processes. Internal protein dynamics spread overmore » a wide time range fromfaster than picosecond to longer than microseconds. We suggest that the structural relaxation in hydrated proteins appears on the microsecond time scale, while faster processes present mostly motion of side groups and some domains. Hydration water plays a crucial role in protein dynamics on all time scales. It controls the coupled protein-hydration water relaxation on 10 100 ps time scale. Our process defines the friction for slower protein dynamics. Analysis suggests that changes in amount of hydration water affect not only general friction, but also influence significantly the protein's energy landscape.« less

Atomistic details of protein dynamics and the role of hydration water

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

Khodadadi, Sheila; Sokolov, Alexei P.

The importance of protein dynamics for their biological activity is nowwell recognized. Different experimental and computational techniques have been employed to study protein dynamics, hierarchy of different processes and the coupling between protein and hydration water dynamics. But, understanding the atomistic details of protein dynamics and the role of hydration water remains rather limited. Based on overview of neutron scattering, molecular dynamic simulations, NMR and dielectric spectroscopy results we present a general picture of protein dynamics covering time scales from faster than ps to microseconds and the influence of hydration water on different relaxation processes. Internal protein dynamics spread overmore » a wide time range fromfaster than picosecond to longer than microseconds. We suggest that the structural relaxation in hydrated proteins appears on the microsecond time scale, while faster processes present mostly motion of side groups and some domains. Hydration water plays a crucial role in protein dynamics on all time scales. It controls the coupled protein-hydration water relaxation on 10 100 ps time scale. Our process defines the friction for slower protein dynamics. Analysis suggests that changes in amount of hydration water affect not only general friction, but also influence significantly the protein's energy landscape.« less

Nonlinear analysis of NPP safety against the aircraft attack

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

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

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

Convergence of sampling in protein simulations

NASA Astrophysics Data System (ADS)

Hess, Berk

2002-03-01

With molecular dynamics protein dynamics can be simulated in atomic detail. Current computers are not fast enough to probe all available conformations, but fluctuations around one conformation can be sampled to a reasonable extent. The motions with the largest fluctuations can be filtered out of a simulation using covariance or principal component analysis. A problem with this analysis is that random diffusion can appear as correlated motion. An analysis is presented of how long a simulation should be to obtain relevant results for global motions. The analysis reveals that the cosine content of the principal components is a good indicator for bad sampling.

Inlet Development for a Rocket Based Combined Cycle, Single Stage to Orbit Vehicle Using Computational Fluid Dynamics

NASA Technical Reports Server (NTRS)

DeBonis, J. R.; Trefny, C. J.; Steffen, C. J., Jr.

1999-01-01

Design and analysis of the inlet for a rocket based combined cycle engine is discussed. Computational fluid dynamics was used in both the design and subsequent analysis. Reynolds averaged Navier-Stokes simulations were performed using both perfect gas and real gas assumptions. An inlet design that operates over the required Mach number range from 0 to 12 was produced. Performance data for cycle analysis was post processed using a stream thrust averaging technique. A detailed performance database for cycle analysis is presented. The effect ot vehicle forebody compression on air capture is also examined.

Bimolecular dynamics by computer analysis

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

Eilbeck, J.C.; Lomdahl, P.S.; Scott, A.C.

1984-01-01

As numerical tools (computers and display equipment) become more powerful and the atomic structures of important biological molecules become known, the importance of detailed computation of nonequilibrium biomolecular dynamics increases. In this manuscript we report results from a well developed study of the hydrogen bonded polypeptide crystal acetanilide, a model protein. Directions for future research are suggested. 9 references, 6 figures.

A Novel Shape Parameterization Approach

NASA Technical Reports Server (NTRS)

Samareh, Jamshid A.

1999-01-01

This paper presents a novel parameterization approach for complex shapes suitable for a multidisciplinary design optimization application. The approach consists of two basic concepts: (1) parameterizing the shape perturbations rather than the geometry itself and (2) performing the shape deformation by means of the soft objects animation algorithms used in computer graphics. Because the formulation presented in this paper is independent of grid topology, we can treat computational fluid dynamics and finite element grids in a similar manner. The proposed approach is simple, compact, and efficient. Also, the analytical sensitivity derivatives are easily computed for use in a gradient-based optimization. This algorithm is suitable for low-fidelity (e.g., linear aerodynamics and equivalent laminated plate structures) and high-fidelity analysis tools (e.g., nonlinear computational fluid dynamics and detailed finite element modeling). This paper contains the implementation details of parameterizing for planform, twist, dihedral, thickness, and camber. The results are presented for a multidisciplinary design optimization application consisting of nonlinear computational fluid dynamics, detailed computational structural mechanics, performance, and a simple propulsion module.

Multidisciplinary Aerodynamic-Structural Shape Optimization Using Deformation (MASSOUD)

NASA Technical Reports Server (NTRS)

Samareh, Jamshid A.

2000-01-01

This paper presents a multidisciplinary shape parameterization approach. The approach consists of two basic concepts: (1) parameterizing the shape perturbations rather than the geometry itself and (2) performing the shape deformation by means of the soft object animation algorithms used in computer graphics. Because the formulation presented in this paper is independent of grid topology, we can treat computational fluid dynamics and finite element grids in the same manner. The proposed approach is simple, compact, and efficient. Also, the analytical sensitivity derivatives are easily computed for use in a gradient-based optimization. This algorithm is suitable for low-fidelity (e.g., linear aerodynamics and equivalent laminate plate structures) and high-fidelity (e.g., nonlinear computational fluid dynamics and detailed finite element modeling) analysis tools. This paper contains the implementation details of parameterizing for planform, twist, dihedral, thickness, camber, and free-form surface. Results are presented for a multidisciplinary application consisting of nonlinear computational fluid dynamics, detailed computational structural mechanics, and a simple performance module.

Multidisciplinary Aerodynamic-Structural Shape Optimization Using Deformation (MASSOUD)

NASA Technical Reports Server (NTRS)

Samareh, Jamshid A.

2000-01-01

This paper presents a multidisciplinary shape parameterization approach. The approach consists of two basic concepts: (1) parameterizing the shape perturbations rather than the geometry itself and (2) performing the shape deformation by means of the soft object animation algorithms used in computer graphics. Because the formulation presented in this paper is independent of grid topology, we can treat computational fluid dynamics and finite element grids in a similar manner. The proposed approach is simple, compact, and efficient. Also, the analytical sensitivity derivatives are easily computed for use in a gradient-based optimization. This algorithm is suitable for low-fidelity (e.g., linear aerodynamics and equivalent laminated plate structures) and high-fidelity (e.g., nonlinear computational fluid dynamics and detailed finite element modeling analysis tools. This paper contains the implementation details of parameterizing for planform, twist, dihedral, thickness, camber, and free-form surface. Results are presented for a multidisciplinary design optimization application consisting of nonlinear computational fluid dynamics, detailed computational structural mechanics, and a simple performance module.

DORCA 2 computer program. Volume 3: Program listing

NASA Technical Reports Server (NTRS)

Carey, J. B.

1972-01-01

A program listing for the Dynamic Operational Requirements and Cost Analysis Program is presented. Detailed instructions for the computer programming involved in space mission planning and project requirements are developed.

Geometric Modelling of Tree Roots with Different Levels of Detail

NASA Astrophysics Data System (ADS)

Guerrero Iñiguez, J. I.

2017-09-01

This paper presents a geometric approach for modelling tree roots with different Levels of Detail, suitable for analysis of the tree anchoring, potentially occupied underground space, interaction with urban elements and damage produced and taken in the built-in environment. Three types of tree roots are considered to cover several species: tap root, heart shaped root and lateral roots. Shrubs and smaller plants are not considered, however, a similar approach can be considered if the information is available for individual species. The geometrical approach considers the difficulties of modelling the actual roots, which are dynamic and almost opaque to direct observation, proposing generalized versions. For each type of root, different geometric models are considered to capture the overall shape of the root, a simplified block model, and a planar or surface projected version. Lower detail versions are considered as compatibility version for 2D systems while higher detail models are suitable for 3D analysis and visualization. The proposed levels of detail are matched with CityGML Levels of Detail, enabling both analysis and aesthetic views for urban modelling.

Qualitative simulation of bathymetric changes due to reservoir sedimentation: A Japanese case study

PubMed Central

Dai, Wenhong; Larson, Magnus; Beebo, Qaid Naamo; Xie, Qiancheng

2017-01-01

Sediment-dynamics modeling is a useful tool for estimating a dam’s lifespan and its cost–benefit analysis. Collecting real data for sediment-dynamics analysis from conventional field survey methods is both tedious and expensive. Therefore, for most rivers, the historical record of data is either missing or not very detailed. Available data and existing tools have much potential and may be used for qualitative prediction of future bathymetric change trend. This study shows that proxy approaches may be used to increase the spatiotemporal resolution of flow data, and hypothesize the river cross-sections and sediment data. Sediment-dynamics analysis of the reach of the Tenryu River upstream of Sakuma Dam in Japan was performed to predict its future bathymetric changes using a 1D numerical model (HEC-RAS). In this case study, only annually-averaged flow data and the river’s longitudinal bed profile at 5-year intervals were available. Therefore, the other required data, including river cross-section and geometry and sediment inflow grain sizes, had to be hypothesized or assimilated indirectly. The model yielded a good qualitative agreement, with an R2 (coefficient of determination) of 0.8 for the observed and simulated bed profiles. A predictive simulation demonstrated that the useful life of the dam would end after the year 2035 (±5 years), which is in conformity with initial detailed estimates. The study indicates that a sediment-dynamic analysis can be performed even with a limited amount of data. However, such studies may only assess the qualitative trends of sediment dynamics. PMID:28384361

Qualitative simulation of bathymetric changes due to reservoir sedimentation: A Japanese case study.

PubMed

Bilal, Ahmed; Dai, Wenhong; Larson, Magnus; Beebo, Qaid Naamo; Xie, Qiancheng

2017-01-01

Sediment-dynamics modeling is a useful tool for estimating a dam's lifespan and its cost-benefit analysis. Collecting real data for sediment-dynamics analysis from conventional field survey methods is both tedious and expensive. Therefore, for most rivers, the historical record of data is either missing or not very detailed. Available data and existing tools have much potential and may be used for qualitative prediction of future bathymetric change trend. This study shows that proxy approaches may be used to increase the spatiotemporal resolution of flow data, and hypothesize the river cross-sections and sediment data. Sediment-dynamics analysis of the reach of the Tenryu River upstream of Sakuma Dam in Japan was performed to predict its future bathymetric changes using a 1D numerical model (HEC-RAS). In this case study, only annually-averaged flow data and the river's longitudinal bed profile at 5-year intervals were available. Therefore, the other required data, including river cross-section and geometry and sediment inflow grain sizes, had to be hypothesized or assimilated indirectly. The model yielded a good qualitative agreement, with an R2 (coefficient of determination) of 0.8 for the observed and simulated bed profiles. A predictive simulation demonstrated that the useful life of the dam would end after the year 2035 (±5 years), which is in conformity with initial detailed estimates. The study indicates that a sediment-dynamic analysis can be performed even with a limited amount of data. However, such studies may only assess the qualitative trends of sediment dynamics.

Dynamics of the Bingham Canyon rock avalanches (Utah, USA) resolved from topographic, seismic, and infrasound data

NASA Astrophysics Data System (ADS)

Moore, Jeffrey R.; Pankow, Kristine L.; Ford, Sean R.; Koper, Keith D.; Hale, J. Mark; Aaron, Jordan; Larsen, Chris F.

2017-03-01

The 2013 Bingham Canyon Mine rock avalanches represent one of the largest cumulative landslide events in recorded U.S. history and provide a unique opportunity to test remote analysis techniques for landslide characterization. Here we combine aerial photogrammetry surveying, topographic reconstruction, numerical runout modeling, and analysis of broadband seismic and infrasound data to extract salient details of the dynamics and evolution of the multiphase landslide event. Our results reveal a cumulative intact rock source volume of 52 Mm3, which mobilized in two main rock avalanche phases separated by 1.5 h. We estimate that the first rock avalanche had 1.5-2 times greater volume than the second. Each failure initiated by sliding along a gently dipping (21°), highly persistent basal fault before transitioning to a rock avalanche and spilling into the inner pit. The trajectory and duration of the two rock avalanches were reconstructed using runout modeling and independent force history inversion of intermediate-period (10-50 s) seismic data. Intermediate- and shorter-period (1-50 s) seismic data were sensitive to intervals of mass redirection and constrained finer details of the individual slide dynamics. Back projecting short-period (0.2-1 s) seismic energy, we located the two rock avalanches within 2 and 4 km of the mine. Further analysis of infrasound and seismic data revealed that the cumulative event included an additional 11 smaller landslides (volumes 104-105 m3) and that a trailing signal following the second rock avalanche may result from an air-coupled Rayleigh wave. Our results demonstrate new and refined techniques for detailed remote characterization of the dynamics and evolution of large landslides.

Dynamics of the Bingham Canyon rock avalanches (Utah, USA) resolved from topographic, seismic, and infrasound data: Bingham Canyon Rock Avalanches

DOE PAGES

Moore, Jeffrey R.; Pankow, Kristine L.; Ford, Sean R.; ...

2017-03-01

The 2013 Bingham Canyon Mine rock avalanches represent one of the largest cumulative landslide events in recorded U.S. history and provide a unique opportunity to test remote analysis techniques for landslide characterization. We combine aerial photogrammetry surveying, topographic reconstruction, numerical runout modeling, and analysis of broadband seismic and infrasound data to extract salient details of the dynamics and evolution of the multiphase landslide event. Our results reveal a cumulative intact rock source volume of 52 Mm 3, which mobilized in two main rock avalanche phases separated by 1.5 h. We estimate that the first rock avalanche had 1.5–2 times greatermore » volume than the second. Each failure initiated by sliding along a gently dipping (21°), highly persistent basal fault before transitioning to a rock avalanche and spilling into the inner pit. The trajectory and duration of the two rock avalanches were reconstructed using runout modeling and independent force history inversion of intermediate-period (10–50 s) seismic data. Intermediate- and shorter-period (1–50 s) seismic data were sensitive to intervals of mass redirection and constrained finer details of the individual slide dynamics. Back projecting short-period (0.2–1 s) seismic energy, we located the two rock avalanches within 2 and 4 km of the mine. Further analysis of infrasound and seismic data revealed that the cumulative event included an additional 11 smaller landslides (volumes ~10 4–10 5 m 3) and that a trailing signal following the second rock avalanche may result from an air-coupled Rayleigh wave. These results demonstrate new and refined techniques for detailed remote characterization of the dynamics and evolution of large landslides.« less

Chaotic dynamics and diffusion in a piecewise linear equation

NASA Astrophysics Data System (ADS)

Shahrear, Pabel; Glass, Leon; Edwards, Rod

2015-03-01

Genetic interactions are often modeled by logical networks in which time is discrete and all gene activity states update simultaneously. However, there is no synchronizing clock in organisms. An alternative model assumes that the logical network is preserved and plays a key role in driving the dynamics in piecewise nonlinear differential equations. We examine dynamics in a particular 4-dimensional equation of this class. In the equation, two of the variables form a negative feedback loop that drives a second negative feedback loop. By modifying the original equations by eliminating exponential decay, we generate a modified system that is amenable to detailed analysis. In the modified system, we can determine in detail the Poincaré (return) map on a cross section to the flow. By analyzing the eigenvalues of the map for the different trajectories, we are able to show that except for a set of measure 0, the flow must necessarily have an eigenvalue greater than 1 and hence there is sensitive dependence on initial conditions. Further, there is an irregular oscillation whose amplitude is described by a diffusive process that is well-modeled by the Irwin-Hall distribution. There is a large class of other piecewise-linear networks that might be analyzed using similar methods. The analysis gives insight into possible origins of chaotic dynamics in periodically forced dynamical systems.

PathFinder: reconstruction and dynamic visualization of metabolic pathways.

PubMed

Goesmann, Alexander; Haubrock, Martin; Meyer, Folker; Kalinowski, Jörn; Giegerich, Robert

2002-01-01

Beyond methods for a gene-wise annotation and analysis of sequenced genomes new automated methods for functional analysis on a higher level are needed. The identification of realized metabolic pathways provides valuable information on gene expression and regulation. Detection of incomplete pathways helps to improve a constantly evolving genome annotation or discover alternative biochemical pathways. To utilize automated genome analysis on the level of metabolic pathways new methods for the dynamic representation and visualization of pathways are needed. PathFinder is a tool for the dynamic visualization of metabolic pathways based on annotation data. Pathways are represented as directed acyclic graphs, graph layout algorithms accomplish the dynamic drawing and visualization of the metabolic maps. A more detailed analysis of the input data on the level of biochemical pathways helps to identify genes and detect improper parts of annotations. As an Relational Database Management System (RDBMS) based internet application PathFinder reads a list of EC-numbers or a given annotation in EMBL- or Genbank-format and dynamically generates pathway graphs.

Unusual ISS Rate Signature

NASA Technical Reports Server (NTRS)

Laible, Michael R.

2011-01-01

On November 23, 2011 International Space Station Guidance, Navigation, and Control reported unusual pitch rate disturbance. These disturbances were an order of magnitude greater than nominal rates. The Loads and Dynamics team was asked to review and analyze current accelerometer data to investigate this disturbance. This paper will cover the investigation process under taken by the Loads and Dynamics group. It will detail the accelerometers used and analysis performed. The analysis included performing Frequency Fourier Transform of the data to identify the mode of interest. This frequency data is then reviewed with modal analysis of the ISS system model. Once this analysis is complete and the disturbance quantified, a forcing function was produced to replicate the disturbance. This allows the Loads and Dynamics team to report the load limit values for the 100's of interfaces on the ISS.

Using CONTENT 1.5 to analyze an SIR model for childhood infectious diseases

NASA Astrophysics Data System (ADS)

Su, Rui; He, Daihai

2008-11-01

In this work, we introduce a standard software CONTENT 1.5 for analysis of dynamical systems. A simple model for childhood infectious diseases is used as an example. The detailed steps to obtain the bifurcation structures of the system are given. These bifurcation structures can be used to explain the observed dynamical transition in measles incidences.

Morphology and dynamics of galaxies; Proceedings of the Twelfth Advanced Course, Saas-Fee, Switzerland, March 29-April 3, 1982

NASA Astrophysics Data System (ADS)

Martinet, L.; Mayor, M.

The basic problems and analysis techniques in examining the morphology, dynamics, and interactions between star systems, galaxies, and galactic clusters are detailed. Attention is devoted to the dynamics of hot stellar systems, with note taken of the derivation and application of the Vlasov equation, Jean's theorem, and the virial equations. Observations of galactic structure and dynamics are reviewed, and consideration is directed toward environmental influences on galactic structure. For individual items see A84-15503 to A84-15505

Executive summary: Mod-1 wind turbine generator analysis and design report

NASA Technical Reports Server (NTRS)

1979-01-01

Activities leading to the detail design of a wind turbine generator having a nominal rating of 1.8 megawatts are reported. Topics covered include (1) system description; (2) structural dynamics; (3) stability analysis; (4) mechanical subassemblies design; (5) power generation subsystem; and (6) control and instrumentation subsystem.

The design and development of a two-dimensional adaptive truss structure

NASA Technical Reports Server (NTRS)

Kuwao, Fumihiro; Motohashi, Shoichi; Yoshihara, Makoto; Takahara, Kenichi; Natori, Michihiro

1987-01-01

The functional model of a two dimensional adaptive truss structure which can purposefully change its geometrical configuration is introduced. The details of design and fabrication such as kinematic analysis, dynamic characteristics analysis and some test results are presented for the demonstration of this two dimensional truss concept.

Code Pulse: Software Assurance (SWA) Visual Analytics for Dynamic Analysis of Code

DTIC Science & Technology

2014-09-01

31 4.5.1 Market Analysis...competitive market analysis to assess the tool potential. The final transition targets were selected and expressed along with our research on the topic...public release milestones. Details of our testing methodology is in our Software Test Plan deliv- erable, CP- STP -0001. A summary of this approach is

High-Fidelity Dynamic Modeling of Spacecraft in the Continuum--Rarefied Transition Regime

NASA Astrophysics Data System (ADS)

Turansky, Craig P.

The state of the art of spacecraft rarefied aerodynamics seldom accounts for detailed rigid-body dynamics. In part because of computational constraints, simpler models based upon the ballistic and drag coefficients are employed. Of particular interest is the continuum-rarefied transition regime of Earth's thermosphere where gas dynamic simulation is difficult yet wherein many spacecraft operate. The feasibility of increasing the fidelity of modeling spacecraft dynamics is explored by coupling rarefied aerodynamics with rigid-body dynamics modeling similar to that traditionally used for aircraft in atmospheric flight. Presented is a framework of analysis and guiding principles which capitalize on the availability of increasing computational methods and resources. Aerodynamic force inputs for modeling spacecraft in two dimensions in a rarefied flow are provided by analytical equations in the free-molecular regime, and the direct simulation Monte Carlo method in the transition regime. The application of the direct simulation Monte Carlo method to this class of problems is examined in detail with a new code specifically designed for engineering-level rarefied aerodynamic analysis. Time-accurate simulations of two distinct geometries in low thermospheric flight and atmospheric entry are performed, demonstrating non-linear dynamics that cannot be predicted using simpler approaches. The results of this straightforward approach to the aero-orbital coupled-field problem highlight the possibilities for future improvements in drag prediction, control system design, and atmospheric science. Furthermore, a number of challenges for future work are identified in the hope of stimulating the development of a new subfield of spacecraft dynamics.

The Born-Oppenheimer molecular simulations of infrared spectra of crystalline poly-(R)-3-hydroxybutyrate with analysis of weak Csbnd H⋯Odbnd C hydrogen bonds

NASA Astrophysics Data System (ADS)

Brela, Mateusz Z.; Boczar, Marek; Wójcik, Marek J.; Sato, Harumi; Nakajima, Takahito; Ozaki, Yukihiro

2017-06-01

In this letter we present results of study of weak Csbnd H⋯Odbnd C hydrogen bonds of crystalline poly-(R)-3-hydroxybutyrate (PHB) by using Born-Oppenheimer molecular dynamics. The polymeric structure and IR spectra of PHB result from the presence of the weak hydrogen bonds. We applied the post-molecular dynamics analysis to consider a Cdbnd O motion as indirectly involved in the hydrogen bonds. Quantization of the nuclear motion of the oxygens was done to perform detailed analysis of the strength and properties of the Cdbnd O bands involved in the weak hydrogen bonds. We have also shown the dynamic character of the weak hydrogen bond interactions.

Dynamic stress analysis of smooth and notched fiber composite flexural specimens

NASA Technical Reports Server (NTRS)

Murthy, P. L. N.; Chamis, C. C.

1984-01-01

A detailed analysis of the dynamic stress field in smooth and notched fiber composite (Charpy-type) specimens is reported in this paper. The analysis is performed with the aid of the direct transient response analysis solution sequence of MSC/NASTRAN. Three unidirectional composites were chosen for the study. They are S-Glass/Epoxy, Kevlar/Epoxy and T-300/Epoxy composite systems. The specimens are subjected to an impact load which is modeled as a triangular impulse with a maximum of 2000 lb and a duration of 1 ms. The results are compared with those of static analysis of the specimens subjected to a peak load of 2000 lb. For the geometry and type of materials studied, the static analysis results gave close conservative estimates for the dynamic stresses. Another interesting inference from the study is that the impact induced effects are felt by S-Glass/Epoxy specimens sooner than Kevlar/Epoxy or T-300/Epoxy specimens.

Value-Chain Dynamics of the West Point Foundry, 1817-1911: A Historical Case Analysis in Marketing

ERIC Educational Resources Information Center

Petkus, Ed, Jr.

2013-01-01

This case provides the opportunity for students to explore marketing and value/supply-chain dynamics in a unique historical context. The West Point Foundry (WPF), located in Cold Spring, New York, was one of the most important manufacturing ventures in the United States from 1817 to 1911. The case outlines the supply-chain details of the WPF as…

Fundamental Mechanisms, Predictive Modeling, and Novel Aerospace Applications of Plasma Assisted Combustion. Overview of OSU Research Plan

DTIC Science & Technology

2009-11-04

air, low-temperature plasma chemistry kinetic model Nonequilibrium Thermodynamics Laboratories The Ohio State University • Air plasma model...problems require separate analysis: • Nsec pulse plasma / sheath models cannot incorporate detailed reactive plasma chemistry : too many species ( 100...and reactions ( 1 000)~ ~ , • Detailed plasma chemistry models (quasi-neutral) cannot incorporate repetitive, nsec time scale sheath dynamics and plasma

Scaled Tank Test Design and Results for the Aquantis 2.5 MW Ocean Current Generation Device

DOE Data Explorer

Swales, Henry; Kils, Ole; Coakley, David B.; Sites, Eric; Mayer, Tyler

2015-06-03

Aquantis 2.5 MW Ocean Current Generation Device, Tow Tank Dynamic Rig Structural Analysis Results. This is the detailed documentation for scaled device testing in a tow tank, including models, drawings, presentations, cost of energy analysis, and structural analysis. This dataset also includes specific information on drivetrain, roller bearing, blade fabrication, mooring, and rotor characteristics.

Alignment-free genetic sequence comparisons: a review of recent approaches by word analysis

PubMed Central

Steele, Joe; Bastola, Dhundy

2014-01-01

Modern sequencing and genome assembly technologies have provided a wealth of data, which will soon require an analysis by comparison for discovery. Sequence alignment, a fundamental task in bioinformatics research, may be used but with some caveats. Seminal techniques and methods from dynamic programming are proving ineffective for this work owing to their inherent computational expense when processing large amounts of sequence data. These methods are prone to giving misleading information because of genetic recombination, genetic shuffling and other inherent biological events. New approaches from information theory, frequency analysis and data compression are available and provide powerful alternatives to dynamic programming. These new methods are often preferred, as their algorithms are simpler and are not affected by synteny-related problems. In this review, we provide a detailed discussion of computational tools, which stem from alignment-free methods based on statistical analysis from word frequencies. We provide several clear examples to demonstrate applications and the interpretations over several different areas of alignment-free analysis such as base–base correlations, feature frequency profiles, compositional vectors, an improved string composition and the D2 statistic metric. Additionally, we provide detailed discussion and an example of analysis by Lempel–Ziv techniques from data compression. PMID:23904502

Computational Study on Full-length Human Ku70 with Double Stranded DNA: Dynamics, Interactions and Functional Implications

NASA Technical Reports Server (NTRS)

Hu, Shaowen; Cucinotta, Francis A.

2009-01-01

The Ku70/80 heterodimer is the first repair protein in the initial binding of double-strand break (DSB) ends following DNA damage, and is a component of nonhomologous end joining repair, the primary pathway for DSB repair in mammalian cells. In this study we constructed a full-length human Ku70 structure based on its crystal structure, and performed 20 ns conventional molecular dynamic (CMD) simulations on this protein and several other complexes with short DNA duplexes of different sequences. The trajectories of these simulations indicated that, without the topological support of Ku80, the residues in the bridge and C-terminal arm of Ku70 are more flexible than other experimentally identified domains. We studied the two missing loops in the crystal structure and predicted that they are also very flexible. Simulations revealed that they make an important contribution to the Ku70 interaction with DNA. Dislocation of the previously studied SAP domain was observed in several systems, implying its role in DNA binding. Targeted molecular dynamic (TMD) simulation was also performed for one system with a far-away 14bp DNA duplex. The TMD trajectory and energetic analysis disclosed detailed interactions of the DNA-binding residues during the DNA dislocation, and revealed a possible conformational transition for a DSB end when encountering Ku70 in solution. Compared to experimentally based analysis, this study identified more detailed interactions between DNA and Ku70. Free energy analysis indicated Ku70 alone is able to bind DNA with relatively high affinity, with consistent contributions from various domains of Ku70 in different systems. The functional implications of these domains in the processes of Ku heterodimerization and DNA damage recognition and repair can be characterized in detail based upon this analysis.

Hydrodynamic design of generic pump components

NASA Technical Reports Server (NTRS)

Eastland, A. H. J.; Dodson, H. C.

1991-01-01

Inducer and impellar base geometries were defined for a fuel pump for a generic generator cycle. Blade surface data and inlet flowfield definition are available in sufficient detail to allow computational fluid dynamic analysis of the two components.

Computational analysis of Variable Thrust Engine (VTE) performance

NASA Technical Reports Server (NTRS)

Giridharan, M. G.; Krishnan, A.; Przekwas, A. J.

1993-01-01

The Variable Thrust Engine (VTE) of the Orbital Maneuvering Vehicle (OMV) uses a hypergolic propellant combination of Monomethyl Hydrazine (MMH) and Nitrogen Tetroxide (NTO) as fuel and oxidizer, respectively. The performance of the VTE depends on a number of complex interacting phenomena such as atomization, spray dynamics, vaporization, turbulent mixing, convective/radiative heat transfer, and hypergolic combustion. This study involved the development of a comprehensive numerical methodology to facilitate detailed analysis of the VTE. An existing Computational Fluid Dynamics (CFD) code was extensively modified to include the following models: a two-liquid, two-phase Eulerian-Lagrangian spray model; a chemical equilibrium model; and a discrete ordinate radiation heat transfer model. The modified code was used to conduct a series of simulations to assess the effects of various physical phenomena and boundary conditions on the VTE performance. The details of the models and the results of the simulations are presented.

Structure and information in spatial segregation

PubMed Central

2017-01-01

Ethnoracial residential segregation is a complex, multiscalar phenomenon with immense moral and economic costs. Modeling the structure and dynamics of segregation is a pressing problem for sociology and urban planning, but existing methods have limitations. In this paper, we develop a suite of methods, grounded in information theory, for studying the spatial structure of segregation. We first advance existing profile and decomposition methods by posing two related regionalization methods, which allow for profile curves with nonconstant spatial scale and decomposition analysis with nonarbitrary areal units. We then formulate a measure of local spatial scale, which may be used for both detailed, within-city analysis and intercity comparisons. These methods highlight detailed insights in the structure and dynamics of urban segregation that would be otherwise easy to miss or difficult to quantify. They are computationally efficient, applicable to a broad range of study questions, and freely available in open source software. PMID:29078323

Analyzing ion distributions around DNA: sequence-dependence of potassium ion distributions from microsecond molecular dynamics

PubMed Central

Pasi, Marco; Maddocks, John H.; Lavery, Richard

2015-01-01

Microsecond molecular dynamics simulations of B-DNA oligomers carried out in an aqueous environment with a physiological salt concentration enable us to perform a detailed analysis of how potassium ions interact with the double helix. The oligomers studied contain all 136 distinct tetranucleotides and we are thus able to make a comprehensive analysis of base sequence effects. Using a recently developed curvilinear helicoidal coordinate method we are able to analyze the details of ion populations and densities within the major and minor grooves and in the space surrounding DNA. The results show higher ion populations than have typically been observed in earlier studies and sequence effects that go beyond the nature of individual base pairs or base pair steps. We also show that, in some special cases, ion distributions converge very slowly and, on a microsecond timescale, do not reflect the symmetry of the corresponding base sequence. PMID:25662221

Structure and information in spatial segregation.

PubMed

Chodrow, Philip S

2017-10-31

Ethnoracial residential segregation is a complex, multiscalar phenomenon with immense moral and economic costs. Modeling the structure and dynamics of segregation is a pressing problem for sociology and urban planning, but existing methods have limitations. In this paper, we develop a suite of methods, grounded in information theory, for studying the spatial structure of segregation. We first advance existing profile and decomposition methods by posing two related regionalization methods, which allow for profile curves with nonconstant spatial scale and decomposition analysis with nonarbitrary areal units. We then formulate a measure of local spatial scale, which may be used for both detailed, within-city analysis and intercity comparisons. These methods highlight detailed insights in the structure and dynamics of urban segregation that would be otherwise easy to miss or difficult to quantify. They are computationally efficient, applicable to a broad range of study questions, and freely available in open source software. Published under the PNAS license.

Analytical and experimental investigation of a 1/8-scale dynamic model of the shuttle orbiter. Volume 3B: Supporting data

NASA Technical Reports Server (NTRS)

Mason, P. W.; Harris, H. G.; Zalesak, J.; Bernstein, M.

1974-01-01

The NASA Structural Analysis System (NASTRAN) Model 1 finite element idealization, input data, and detailed analytical results are presented. The data presented include: substructuring analysis for normal modes, plots of member data, plots of symmetric free-free modes, plots of antisymmetric free-free modes, analysis of the wing, analysis of the cargo doors, analysis of the payload, and analysis of the orbiter.

Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations.

PubMed

Stelzl, Lukas S; Kells, Adam; Rosta, Edina; Hummer, Gerhard

2017-12-12

We present an algorithm to calculate free energies and rates from molecular simulations on biased potential energy surfaces. As input, it uses the accumulated times spent in each state or bin of a histogram and counts of transitions between them. Optimal unbiased equilibrium free energies for each of the states/bins are then obtained by maximizing the likelihood of a master equation (i.e., first-order kinetic rate model). The resulting free energies also determine the optimal rate coefficients for transitions between the states or bins on the biased potentials. Unbiased rates can be estimated, e.g., by imposing a linear free energy condition in the likelihood maximization. The resulting "dynamic histogram analysis method extended to detailed balance" (DHAMed) builds on the DHAM method. It is also closely related to the transition-based reweighting analysis method (TRAM) and the discrete TRAM (dTRAM). However, in the continuous-time formulation of DHAMed, the detailed balance constraints are more easily accounted for, resulting in compact expressions amenable to efficient numerical treatment. DHAMed produces accurate free energies in cases where the common weighted-histogram analysis method (WHAM) for umbrella sampling fails because of slow dynamics within the windows. Even in the limit of completely uncorrelated data, where WHAM is optimal in the maximum-likelihood sense, DHAMed results are nearly indistinguishable. We illustrate DHAMed with applications to ion channel conduction, RNA duplex formation, α-helix folding, and rate calculations from accelerated molecular dynamics. DHAMed can also be used to construct Markov state models from biased or replica-exchange molecular dynamics simulations. By using binless WHAM formulated as a numerical minimization problem, the bias factors for the individual states can be determined efficiently in a preprocessing step and, if needed, optimized globally afterward.

Recurrence analysis of ant activity patterns

PubMed Central

2017-01-01

In this study, we used recurrence quantification analysis (RQA) and recurrence plots (RPs) to compare the movement activity of individual workers of three ant species, as well as a gregarious beetle species. RQA and RPs quantify the number and duration of recurrences of a dynamical system, including a detailed quantification of signals that could be stochastic, deterministic, or both. First, we found substantial differences between the activity dynamics of beetles and ants, with the results suggesting that the beetles have quasi-periodic dynamics and the ants do not. Second, workers from different ant species varied with respect to their dynamics, presenting degrees of predictability as well as stochastic signals. Finally, differences were found among minor and major caste of the same (dimorphic) ant species. Our results underscore the potential of RQA and RPs in the analysis of complex behavioral patterns, as well as in general inferences on animal behavior and other biological phenomena. PMID:29016648

Propulsion System Dynamic Modeling for the NASA Supersonic Concept Vehicle: AeroPropulsoServoElasticity

NASA Technical Reports Server (NTRS)

Kopasakis, George; Connolly, Joseph; Seidel, Jonathan

2014-01-01

A summary of the propulsion system modeling under NASA's High Speed Project (HSP) AeroPropulsoServoElasticity (APSE) task is provided with a focus on the propulsion system for the low-boom supersonic configuration developed by Lockheed Martin and referred to as the N+2 configuration. This summary includes details on the effort to date to develop computational models for the various propulsion system components. The objective of this paper is to summarize the model development effort in this task, while providing more detail in the modeling areas that have not been previously published. The purpose of the propulsion system modeling and the overall APSE effort is to develop an integrated dynamic vehicle model to conduct appropriate unsteady analysis of supersonic vehicle performance. This integrated APSE system model concept includes the propulsion system model, and the vehicle structural-aerodynamics model. The development to date of such a preliminary integrated model will also be summarized in this report.propulsion system dynamics, the structural dynamics, and aerodynamics.

Epidemic patch models applied to pandemic influenza: contact matrix, stochasticity, robustness of predictions.

PubMed

Lunelli, Antonella; Pugliese, Andrea; Rizzo, Caterina

2009-07-01

Due to the recent emergence of H5N1 virus, the modelling of pandemic influenza has become a relevant issue. Here we present an SEIR model formulated to simulate a possible outbreak in Italy, analysing its structure and, more generally, the effect of including specific details into a model. These details regard population heterogeneities, such as age and spatial distribution, as well as stochasticity, that regulates the epidemic dynamics when the number of infectives is low. We discuss and motivate the specific modelling choices made when building the model and investigate how the model details influence the predicted dynamics. Our analysis may help in deciding which elements of complexity are worth including in the design of a deterministic model for pandemic influenza, in a balance between, on the one hand, keeping the model computationally efficient and the number of parameters low and, on the other hand, maintaining the necessary realistic features.

Resonance decay dynamics and their effects on pT spectra of pions in heavy-ion collisions

NASA Astrophysics Data System (ADS)

Lo, Pok Man

2018-03-01

The influence of resonance decay dynamics on the momentum spectra of pions in heavy-ion collisions is examined. Taking the decay processes ω →3 π and ρ →2 π as examples, I demonstrate how the resonance width and details of decay dynamics (via the decay matrix element) can modify the physical observables. The latter effect is commonly neglected in statistical models. To remedy the situation, a theoretical framework for incorporating hadron dynamics into the analysis is formulated, which can be straightforwardly extended to describe general N -body decays.

Wavelet transform analysis of dynamic speckle patterns texture

NASA Astrophysics Data System (ADS)

Limia, Margarita Fernandez; Nunez, Adriana Mavilio; Rabal, Hector; Trivi, Marcelo

2002-11-01

We propose the use of the wavelet transform to characterize the time evolution of dynamic speckle patterns. We describe it by using as an example a method used for the assessment of the drying of paint. Optimal texture features are determined and the time evolution is described in terms of the Mahalanobis distance to the final (dry) state. From the behavior of this distance function, two parameters are defined that characterize the evolution. Because detailed knowledge of the involved dynamics is not required, the methodology could be implemented for other complex or poorly understood dynamic phenomena.

Characterization of Microgravity Environment on Mir

NASA Technical Reports Server (NTRS)

Kim, Hyoung; Kaouk, Mohamed

2000-01-01

This paper presents the microgravity analysis results using dynamic response data collected during the first phase of the Mir Structural Dynamics Experiment (MiSDE). Although MiSDE was designed and performed to verify structural dynamic models, it also provided information for determining microgravity characteristics of the structure. This study analyzed ambient responses acquired during orbital day-to-night and night-to-day transitions, crew treadmill and ergometer exercises, and intentional crew activities. Acceleration levels for one-third octave bands were calculated to characterize the microgravity environment of the station. Spectrograms were also used to analyze the time transient nature of the responses. Detailed theoretical background and analysis results will also be included in the final draft.

Size of the Dynamic Bead in Polymers

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

Agapov, Alexander L; Sokolov, Alexei P

2010-01-01

Presented analysis of neutron, mechanical, and MD simulation data available in the literature demonstrates that the dynamic bead size (the smallest subchain that still exhibits the Rouse-like dynamics) in most of the polymers is significantly larger than the traditionally defined Kuhn segment. Moreover, our analysis emphasizes that even the static bead size (e.g., chain statistics) disagrees with the Kuhn segment length. We demonstrate that the deficiency of the Kuhn segment definition is based on the assumption of a chain being completely extended inside a single bead. The analysis suggests that representation of a real polymer chain by the bead-and-spring modelmore » with a single parameter C cannot be correct. One needs more parameters to reflect correctly details of the chain structure in the bead-and-spring model.« less

Simplified Dynamic Analysis of Grinders Spindle Node

NASA Astrophysics Data System (ADS)

Demec, Peter

2014-12-01

The contribution deals with the simplified dynamic analysis of surface grinding machine spindle node. Dynamic analysis is based on the use of the transfer matrix method, which is essentially a matrix form of method of initial parameters. The advantage of the described method, despite the seemingly complex mathematical apparatus, is primarily, that it does not require for solve the problem of costly commercial software using finite element method. All calculations can be made for example in MS Excel, which is advantageous especially in the initial stages of constructing of spindle node for the rapid assessment of the suitability its design. After detailing the entire structure of spindle node is then also necessary to perform the refined dynamic analysis in the environment of FEM, which it requires the necessary skills and experience and it is therefore economically difficult. This work was developed within grant project KEGA No. 023TUKE-4/2012 Creation of a comprehensive educational - teaching material for the article Production technique using a combination of traditional and modern information technology and e-learning.

On Dynamics of Spinning Structures

NASA Technical Reports Server (NTRS)

Gupta, K. K.; Ibrahim, A.

2012-01-01

This paper provides details of developments pertaining to vibration analysis of gyroscopic systems, that involves a finite element structural discretization followed by the solution of the resulting matrix eigenvalue problem by a progressive, accelerated simultaneous iteration technique. Thus Coriolis, centrifugal and geometrical stiffness matrices are derived for shell and line elements, followed by the eigensolution details as well as solution of representative problems that demonstrates the efficacy of the currently developed numerical procedures and tools.

Dynamic characteristics of a vibrating beam with periodic variation in bending stiffness

NASA Technical Reports Server (NTRS)

Townsend, John S.

1987-01-01

A detailed dynamic analysis is performed of a vibrating beam with bending stiffness periodic in the spatial coordinate. The effects of system parameters on beam response are explored with a perturbation expansion technique. It is found that periodic stiffness acts to modulate the modal displacements from the characteristic shape of a simple sine wave. The results are verified by a finite element solution and through experimental testing.

Calculational investigation of impact cratering dynamics - Material motions during the crater growth period

NASA Technical Reports Server (NTRS)

Austin, M. G.; Thomsen, J. M.; Ruhl, S. F.; Orphal, D. L.; Schultz, P. H.

1980-01-01

The considered investigation was conducted in connection with studies which are to provide a better understanding of the detailed dynamics of impact cratering processes. Such an understanding is vital for a comprehension of planetary surfaces. The investigation is the continuation of a study of impact dynamics in a uniform, nongeologic material at impact velocities achievable in laboratory-scale experiments conducted by Thomsen et al. (1979). A calculation of a 6 km/sec impact of a 0.3 g spherical 2024 aluminum projectile into low strength (50 kPa) homogeneous plasticene clay has been continued from 18 microseconds to past 600 microseconds. The cratering flow field, defined as the material flow field in the target beyond the transient cavity but well behind the outgoing shock wave, has been analyzed in detail to see how applicable the Maxwell Z-Model, developed from analysis of near-surface explosion cratering calculations, is to impact cratering

DFT-derived reactive potentials for the simulation of activated processes: the case of CdTe and CdTe:S.

PubMed

Hu, Xiao Liang; Ciaglia, Riccardo; Pietrucci, Fabio; Gallet, Grégoire A; Andreoni, Wanda

2014-06-19

We introduce a new ab initio derived reactive potential for the simulation of CdTe within density functional theory (DFT) and apply it to calculate both static and dynamical properties of a number of systems (bulk solid, defective structures, liquid, surfaces) at finite temperature. In particular, we also consider cases with low sulfur concentration (CdTe:S). The analysis of DFT and classical molecular dynamics (MD) simulations performed with the same protocol leads to stringent performance tests and to a detailed comparison of the two schemes. Metadynamics techniques are used to empower both Car-Parrinello and classical molecular dynamics for the simulation of activated processes. For the latter, we consider surface reconstruction and sulfur diffusion in the bulk. The same procedures are applied using previously proposed force fields for CdTe and CdTeS materials, thus allowing for a detailed comparison of the various schemes.

Canonical and symplectic analysis for three dimensional gravity without dynamics

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

Escalante, Alberto, E-mail: aescalan@ifuap.buap.mx; Osmart Ochoa-Gutiérrez, H.

2017-03-15

In this paper a detailed Hamiltonian analysis of three-dimensional gravity without dynamics proposed by V. Hussain is performed. We report the complete structure of the constraints and the Dirac brackets are explicitly computed. In addition, the Faddeev–Jackiw symplectic approach is developed; we report the complete set of Faddeev–Jackiw constraints and the generalized brackets, then we show that the Dirac and the generalized Faddeev–Jackiw brackets coincide to each other. Finally, the similarities and advantages between Faddeev–Jackiw and Dirac’s formalism are briefly discussed. - Highlights: • We report the symplectic analysis for three dimensional gravity without dynamics. • We report the Faddeev–Jackiwmore » constraints. • A pure Dirac’s analysis is performed. • The complete structure of Dirac’s constraints is reported. • We show that symplectic and Dirac’s brackets coincide to each other.« less

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).

Solar Dynamic Power System Stability Analysis and Control

NASA Technical Reports Server (NTRS)

Momoh, James A.; Wang, Yanchun

1996-01-01

The objective of this research is to conduct dynamic analysis, control design, and control performance test of solar power system. Solar power system consists of generation system and distribution network system. A bench mark system is used in this research, which includes a generator with excitation system and governor, an ac/dc converter, six DDCU's and forty-eight loads. A detailed model is used for modeling generator. Excitation system is represented by a third order model. DDCU is represented by a seventh order system. The load is modeled by the combination of constant power and constant impedance. Eigen-analysis and eigen-sensitivity analysis are used for system dynamic analysis. The effects of excitation system, governor, ac/dc converter control, and the type of load on system stability are discussed. In order to improve system transient stability, nonlinear ac/dc converter control is introduced. The direct linearization method is used for control design. The dynamic analysis results show that these controls affect system stability in different ways. The parameter coordination of controllers are recommended based on the dynamic analysis. It is concluded from the present studies that system stability is improved by the coordination of control parameters and the nonlinear ac/dc converter control stabilize system oscillation caused by the load change and system fault efficiently.

Digital microarray analysis for digital artifact genomics

NASA Astrophysics Data System (ADS)

Jaenisch, Holger; Handley, James; Williams, Deborah

2013-06-01

We implement a Spatial Voting (SV) based analogy of microarray analysis for digital gene marker identification in malware code sections. We examine a famous set of malware formally analyzed by Mandiant and code named Advanced Persistent Threat (APT1). APT1 is a Chinese organization formed with specific intent to infiltrate and exploit US resources. Manidant provided a detailed behavior and sting analysis report for the 288 malware samples available. We performed an independent analysis using a new alternative to the traditional dynamic analysis and static analysis we call Spatial Analysis (SA). We perform unsupervised SA on the APT1 originating malware code sections and report our findings. We also show the results of SA performed on some members of the families associated by Manidant. We conclude that SV based SA is a practical fast alternative to dynamics analysis and static analysis.

Faster than Real-Time Dynamic Simulation for Large-Size Power System with Detailed Dynamic Models using High-Performance Computing Platform

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

Huang, Renke; Jin, Shuangshuang; Chen, Yousu

This paper presents a faster-than-real-time dynamic simulation software package that is designed for large-size power system dynamic simulation. It was developed on the GridPACKTM high-performance computing (HPC) framework. The key features of the developed software package include (1) faster-than-real-time dynamic simulation for a WECC system (17,000 buses) with different types of detailed generator, controller, and relay dynamic models, (2) a decoupled parallel dynamic simulation algorithm with optimized computation architecture to better leverage HPC resources and technologies, (3) options for HPC-based linear and iterative solvers, (4) hidden HPC details, such as data communication and distribution, to enable development centered on mathematicalmore » models and algorithms rather than on computational details for power system researchers, and (5) easy integration of new dynamic models and related algorithms into the software package.« less

A Modern Picture of Barred Galaxy Dynamics

NASA Astrophysics Data System (ADS)

Petersen, Michael; Weinberg, Martin; Katz, Neal

2018-01-01

Observations of disk galaxies suggest that bars are responsible for altering global galaxy parameters (e.g. structures, gas fraction, star formation rate). The canonical understanding of the mechanisms underpinning bar-driven secular dynamics in disk galaxies has been largely built upon the analysis of linear theory, despite galactic bars being clearly demonstrated to be nonlinear phenomena in n-body simulations. We present simulations of barred Milky Way-like galaxy models designed to elucidate nonlinear barred galaxy dynamics. We have developed two new methodologies for analyzing n-body simulations that give the best of both powerful analytic linear theory and brute force simulation analysis: orbit family identification and multicomponent torque analysis. The software will be offered publicly to the community for their own simulation analysis.The orbit classifier reveals that the details of kinematic components in galactic disks (e.g. the bar, bulge, thin disk, and thick disk components) are powerful discriminators of evolutionary paradigms (i.e. violent instabilities and secular evolution) as well as the basic parameters of the dark matter halo (mass distribution, angular momentum distribution). Multicomponent torque analysis provides a thorough accounting of the transfer of angular momentum between orbits, global patterns, and distinct components in order to better explain the underlying physics which govern the secular evolution of barred disk galaxies.Using these methodologies, we are able to identify the successes and failures of linear theory and traditional n-body simulations en route to a detailed understanding of the control bars exhibit over secular evolution in galaxies. We present explanations for observed physical and velocity structures in observations of barred galaxies alongside predictions for how structures will vary with dynamical properties from galaxy to galaxy as well as over the lifetime of a galaxy, finding that the transfer of angular momentum through previously unidentified channels can more fully explain the observed dynamics.

Spreading dynamics of an e-commerce preferential information model on scale-free networks

NASA Astrophysics Data System (ADS)

Wan, Chen; Li, Tao; Guan, Zhi-Hong; Wang, Yuanmei; Liu, Xiongding

2017-02-01

In order to study the influence of the preferential degree and the heterogeneity of underlying networks on the spread of preferential e-commerce information, we propose a novel susceptible-infected-beneficial model based on scale-free networks. The spreading dynamics of the preferential information are analyzed in detail using the mean-field theory. We determine the basic reproductive number and equilibria. The theoretical analysis indicates that the basic reproductive number depends mainly on the preferential degree and the topology of the underlying networks. We prove the global stability of the information-elimination equilibrium. The permanence of preferential information and the global attractivity of the information-prevailing equilibrium are also studied in detail. Some numerical simulations are presented to verify the theoretical results.

How to Run FAST Simulations.

PubMed

Zimmerman, M I; Bowman, G R

2016-01-01

Molecular dynamics (MD) simulations are a powerful tool for understanding enzymes' structures and functions with full atomistic detail. These physics-based simulations model the dynamics of a protein in solution and store snapshots of its atomic coordinates at discrete time intervals. Analysis of the snapshots from these trajectories provides thermodynamic and kinetic properties such as conformational free energies, binding free energies, and transition times. Unfortunately, simulating biologically relevant timescales with brute force MD simulations requires enormous computing resources. In this chapter we detail a goal-oriented sampling algorithm, called fluctuation amplification of specific traits, that quickly generates pertinent thermodynamic and kinetic information by using an iterative series of short MD simulations to explore the vast depths of conformational space. © 2016 Elsevier Inc. All rights reserved.

Visual Environments for CFD Research

NASA Technical Reports Server (NTRS)

Watson, Val; George, Michael W. (Technical Monitor)

1994-01-01

This viewgraph presentation gives an overview of the visual environments for computational fluid dynamics (CFD) research. It includes details on critical needs from the future computer environment, features needed to attain this environment, prospects for changes in and the impact of the visualization revolution on the human-computer interface, human processing capabilities, limits of personal environment and the extension of that environment with computers. Information is given on the need for more 'visual' thinking (including instances of visual thinking), an evaluation of the alternate approaches for and levels of interactive computer graphics, a visual analysis of computational fluid dynamics, and an analysis of visualization software.

Innovations in Site Characterization Case Study: Hanscom Air Force Base, Operable Unit 1

EPA Pesticide Factsheets

This document is a condensation of the information provided in the much more detailed Hanscom AFB Report entitled A Dynamic Site Investigation: Adaptive Sampling and Analysis Program for Operable Unit 1 at Hanscom Air Force Base, Bedford, Massachusetts.

Post-hit dynamics of price limit hits in the Chinese stock markets

NASA Astrophysics Data System (ADS)

Wu, Ting; Wang, Yue; Li, Ming-Xia

2017-01-01

Price limit trading rules are useful to cool off traders short-term trading mania on individual stocks. The price dynamics approaching the limit boards are known as the magnet effect. However, the price dynamics after opening price limit hits are not well investigated. Here, we provide a detailed analysis on the price dynamics after the hits of up-limit or down-limit is open based on all A-share stocks traded in the Chinese stock markets. A "W" shape is found in the expected return, which reveals high probability of a continuous price limit hit on the following day. We also find that price dynamics after opening limit hits are dependent on the market trends. The time span of continuously hitting the price limit is found to an influence factor of the expected profit after the limit hit is open. Our analysis provides a better understanding of the price dynamics around the limit boards and contributes potential practical values for investors.

Alignment-free genetic sequence comparisons: a review of recent approaches by word analysis.

PubMed

Bonham-Carter, Oliver; Steele, Joe; Bastola, Dhundy

2014-11-01

Modern sequencing and genome assembly technologies have provided a wealth of data, which will soon require an analysis by comparison for discovery. Sequence alignment, a fundamental task in bioinformatics research, may be used but with some caveats. Seminal techniques and methods from dynamic programming are proving ineffective for this work owing to their inherent computational expense when processing large amounts of sequence data. These methods are prone to giving misleading information because of genetic recombination, genetic shuffling and other inherent biological events. New approaches from information theory, frequency analysis and data compression are available and provide powerful alternatives to dynamic programming. These new methods are often preferred, as their algorithms are simpler and are not affected by synteny-related problems. In this review, we provide a detailed discussion of computational tools, which stem from alignment-free methods based on statistical analysis from word frequencies. We provide several clear examples to demonstrate applications and the interpretations over several different areas of alignment-free analysis such as base-base correlations, feature frequency profiles, compositional vectors, an improved string composition and the D2 statistic metric. Additionally, we provide detailed discussion and an example of analysis by Lempel-Ziv techniques from data compression. © The Author 2013. Published by Oxford University Press. For Permissions, please email: journals.permissions@oup.com.

Global dynamics and diffusion in triaxial galactic models

NASA Astrophysics Data System (ADS)

Papaphilippou, Y.

We apply the Frequency Map Analysis method to the 3--dimensional logarithmic galactic potential in order to clarify the dynamical behaviour of triaxial power--law galactic models. All the fine dynamical details are displayed in the complete frequency map, a direct representation of the system's Arnol'd web. The influence of resonant lines and the extent of the chaotic zones are directly associated with the physical space of the system. Some new results related with the diffusion of galactic orbits are also discussed. This approach reveals many unknown dynamical features of triaxial galactic potentials and provides strong indications that chaos should be an innate characteristic of triaxial configurations.

Dynamical Networks Characterization of Geomagnetic Substorms and Transient Response to the Solar Wind State.

NASA Astrophysics Data System (ADS)

Chapman, S. C.; Dods, J.; Gjerloev, J. W.

2017-12-01

Observations of how the solar wind interacts with earth's magnetosphere, and its dynamical response, are increasingly becoming a data analytics challenge. Constellations of satellites observe the solar corona, the upstream solar wind and throughout earth's magnetosphere. These data are multipoint in space and extended in time, so in principle are ideal for study using dynamical networks to characterize the full time evolving spatial pattern. We focus here on analysis of data from the full set of 100+ auroral ground based magnetometer stations that have been collated by SuperMAG. Spatio-temporal patterns of correlation between the magnetometer time series can be used to form a dynamical network [1]. The properties of the network can then be captured by (time dependent) network parameters. This offers the possibility of characterizing detailed spatio-temporal pattern by a few parameters, so that many events can then be compared [2] with each other. Whilst networks are in widespread use in the data analytics of societal and commercial data, there are additional challenges in their application to physical timeseries. Determining whether two nodes (here, ground based magnetometer stations) are connected in a network (seeing the same dynamics) requires normalization w.r.t. the detailed sensitivities and dynamical responses of specific observing stations and seasonal conductivity variations and we have developed methods to achieve this dynamical normalization. The detailed properties of the network capture time dependent spatial correlation in the magnetometer responses and we will show how this can be used to infer a transient current system response to magnetospheric activity. [l] Dods et al, J. Geophys. Res 120, doi:10.1002/2015JA02 (2015). [2] Dods et al, J. Geophys. Res. 122, doi:10.1002/2016JA02 (2017).

A framework for biodynamic feedthrough analysis--part I: theoretical foundations.

PubMed

Venrooij, Joost; van Paassen, Marinus M; Mulder, Mark; Abbink, David A; Mulder, Max; van der Helm, Frans C T; Bulthoff, Heinrich H

2014-09-01

Biodynamic feedthrough (BDFT) is a complex phenomenon, which has been studied for several decades. However, there is little consensus on how to approach the BDFT problem in terms of definitions, nomenclature, and mathematical descriptions. In this paper, a framework for biodynamic feedthrough analysis is presented. The goal of this framework is two-fold. First, it provides some common ground between the seemingly large range of different approaches existing in the BDFT literature. Second, the framework itself allows for gaining new insights into BDFT phenomena. It will be shown how relevant signals can be obtained from measurement, how different BDFT dynamics can be derived from them, and how these different dynamics are related. Using the framework, BDFT can be dissected into several dynamical relationships, each relevant in understanding BDFT phenomena in more detail. The presentation of the BDFT framework is divided into two parts. This paper, Part I, addresses the theoretical foundations of the framework. Part II, which is also published in this issue, addresses the validation of the framework. The work is presented in two separate papers to allow for a detailed discussion of both the framework's theoretical background and its validation.

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

Moore, Jeffrey R.; Pankow, Kristine L.; Ford, Sean R.

The 2013 Bingham Canyon Mine rock avalanches represent one of the largest cumulative landslide events in recorded U.S. history and provide a unique opportunity to test remote analysis techniques for landslide characterization. We combine aerial photogrammetry surveying, topographic reconstruction, numerical runout modeling, and analysis of broadband seismic and infrasound data to extract salient details of the dynamics and evolution of the multiphase landslide event. Our results reveal a cumulative intact rock source volume of 52 Mm 3, which mobilized in two main rock avalanche phases separated by 1.5 h. We estimate that the first rock avalanche had 1.5–2 times greatermore » volume than the second. Each failure initiated by sliding along a gently dipping (21°), highly persistent basal fault before transitioning to a rock avalanche and spilling into the inner pit. The trajectory and duration of the two rock avalanches were reconstructed using runout modeling and independent force history inversion of intermediate-period (10–50 s) seismic data. Intermediate- and shorter-period (1–50 s) seismic data were sensitive to intervals of mass redirection and constrained finer details of the individual slide dynamics. Back projecting short-period (0.2–1 s) seismic energy, we located the two rock avalanches within 2 and 4 km of the mine. Further analysis of infrasound and seismic data revealed that the cumulative event included an additional 11 smaller landslides (volumes ~10 4–10 5 m 3) and that a trailing signal following the second rock avalanche may result from an air-coupled Rayleigh wave. These results demonstrate new and refined techniques for detailed remote characterization of the dynamics and evolution of large landslides.« less

Model-based time-series analysis of FIA panel data absent re-measurements

Treesearch

Raymond L. Czaplewski; Mike T. Thompson

2013-01-01

An epidemic of lodgepole pine (Pinus contorta) mortality from the mountain pine beetle (Dendroctonus ponderosae) has swept across the Interior West. Aerial surveys monitor the areal extent of the epidemic, but only Forest Inventory and Analysis (FIA) field data support a detailed assessment at the tree level. Dynamics of the lodgepole pine population occur at a more...

Turbulent Mixing of Primary and Secondary Flow Streams in a Rocket-Based Combined Cycle Engine

NASA Technical Reports Server (NTRS)

Cramer, J. M.; Greene, M. U.; Pal, S.; Santoro, R. J.; Turner, Jim (Technical Monitor)

2002-01-01

This viewgraph presentation gives an overview of the turbulent mixing of primary and secondary flow streams in a rocket-based combined cycle (RBCC) engine. A significant RBCC ejector mode database has been generated, detailing single and twin thruster configurations and global and local measurements. On-going analysis and correlation efforts include Marshall Space Flight Center computational fluid dynamics modeling and turbulent shear layer analysis. Potential follow-on activities include detailed measurements of air flow static pressure and velocity profiles, investigations into other thruster spacing configurations, performing a fundamental shear layer mixing study, and demonstrating single-shot Raman measurements.

A detailed analysis of the erythropoietic control system in the human, squirrel, monkey, rat and mouse

NASA Technical Reports Server (NTRS)

Nordheim, A. W.

1985-01-01

The erythropoiesis modeling performed in support of the Body Fluid and Blood Volume Regulation tasks is described. The mathematical formulation of the species independent model, the solutions to the steady state and dynamic versions of the model, and the individual species specific models for the human, squirrel monkey, rat and mouse are outlined. A detailed sensitivity analysis of the species independent model response to parameter changes and how those responses change from species to species is presented. The species to species response to a series of simulated stresses directly related to blood volume regulation during space flight is analyzed.

Dynamic Testing of a Pre-stretched Flexible Tube for Identifying the Factors Affecting Modal Parameter Estimation

NASA Astrophysics Data System (ADS)

Unnikrishnan, Madhusudanan; Rajan, Akash; Basanthvihar Raghunathan, Binulal; Kochupillai, Jayaraj

2017-08-01

Experimental modal analysis is the primary tool for obtaining the fundamental dynamic characteristics like natural frequency, mode shape and modal damping ratio that determine the behaviour of any structure under dynamic loading conditions. This paper discusses about a carefully designed experimental method for calculating the dynamic characteristics of a pre-stretched horizontal flexible tube made of polyurethane material. The factors that affect the modal parameter estimation like the application time of shaker excitation, pause time between successive excitation cycles, averaging and windowing of measured signal, as well as the precautions to be taken during the experiment are explained in detail. The modal parameter estimation is done using MEscopeVESTM software. A finite element based pre-stressed modal analysis of the flexible tube is also done using ANSYS ver.14.0 software. The experimental and analytical results agreed well. The proposed experimental methodology may be extended for carrying out the modal analysis of many flexible structures like inflatables, tires and membranes.

Detailed modeling of the train-to-train impact test : rail passenger equipment impact tests

DOT National Transportation Integrated Search

2007-07-01

This report describes the results of a finite element-based analysis of the train-to-train impact test conducted at the Federal Railroad Administrations Transportation Technology Center in Pueblo, CO, on January 31, 2002. The ABAQUS/Explicit dynam...

Numerical Investigation of the Microscopic Heat Current Inside a Nanofluid System Based on Molecular Dynamics Simulation and Wavelet Analysis.

PubMed

Jia, Tao; Gao, Di

2018-04-03

Molecular dynamics simulation is employed to investigate the microscopic heat current inside an argon-copper nanofluid. Wavelet analysis of the microscopic heat current inside the nanofluid system is conducted. The signal of the microscopic heat current is decomposed into two parts: one is the approximation part; the other is the detail part. The approximation part is associated with the low-frequency part of the signal, and the detail part is associated with the high-frequency part of the signal. Both the probability distributions of the high-frequency and the low-frequency parts of the signals demonstrate Gaussian-like characteristics. The curves fit to data of the probability distribution of the microscopic heat current are established, and the parameters including the mean value and the standard deviation in the mathematical formulas of the curves show dramatic changes for the cases before and after adding copper nanoparticles into the argon base fluid.

Environmental research program. 1995 Annual report

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

Brown, N.J.

1996-06-01

The objective of the Environmental Research Program is to enhance the understanding of, and mitigate the effects of pollutants on health, ecological systems, global and regional climate, and air quality. The program is multidisciplinary and includes fundamental research and development in efficient and environmentally benign combustion, pollutant abatement and destruction, and novel methods of detection and analysis of criteria and noncriteria pollutants. This diverse group conducts investigations in combustion, atmospheric and marine processes, flue-gas chemistry, and ecological systems. Combustion chemistry research emphasizes modeling at microscopic and macroscopic scales. At the microscopic scale, functional sensitivity analysis is used to explore themore » nature of the potential-to-dynamics relationships for reacting systems. Rate coefficients are estimated using quantum dynamics and path integral approaches. At the macroscopic level, combustion processes are modelled using chemical mechanisms at the appropriate level of detail dictated by the requirements of predicting particular aspects of combustion behavior. Parallel computing has facilitated the efforts to use detailed chemistry in models of turbulent reacting flow to predict minor species concentrations.« less

Deducing Electronic Unit Internal Response During a Vibration Test Using a Lumped Parameter Modeling Approach

NASA Technical Reports Server (NTRS)

Van Dyke, Michael B.

2014-01-01

During random vibration testing of electronic boxes there is often a desire to know the dynamic response of certain internal printed wiring boards (PWBs) for the purpose of monitoring the response of sensitive hardware or for post-test forensic analysis in support of anomaly investigation. Due to restrictions on internally mounted accelerometers for most flight hardware there is usually no means to empirically observe the internal dynamics of the unit, so one must resort to crude and highly uncertain approximations. One common practice is to apply Miles Equation, which does not account for the coupled response of the board in the chassis, resulting in significant over- or under-prediction. This paper explores the application of simple multiple-degree-of-freedom lumped parameter modeling to predict the coupled random vibration response of the PWBs in their fundamental modes of vibration. A simple tool using this approach could be used during or following a random vibration test to interpret vibration test data from a single external chassis measurement to deduce internal board dynamics by means of a rapid correlation analysis. Such a tool might also be useful in early design stages as a supplemental analysis to a more detailed finite element analysis to quickly prototype and analyze the dynamics of various design iterations. After developing the theoretical basis, a lumped parameter modeling approach is applied to an electronic unit for which both external and internal test vibration response measurements are available for direct comparison. Reasonable correlation of the results demonstrates the potential viability of such an approach. Further development of the preliminary approach presented in this paper will involve correlation with detailed finite element models and additional relevant test data.

Quadrupedal rodent gait compensations in a low dose monoiodoacetate model of osteoarthritis.

PubMed

Lakes, Emily H; Allen, Kyle D

2018-06-01

Rodent gait analysis provides robust, quantitative results for preclinical musculoskeletal and neurological models. In prior work, surgical models of osteoarthritis have been found to result in a hind limb shuffle-stepping gait compensation, while a high dose monoiodoacetate (MIA, 3 mg) model resulted in a hind limb antalgic gait. However, it is unknown whether the antalgic gait caused by MIA is associated with severity of degeneration from the high dosage or the whole-joint degeneration associated with glycolysis inhibition. This study evaluates rodent gait changes resulting from a low dose, 1 mg unilateral intra-articular injection of MIA compared to saline injected and naïve rats. Spatiotemporal and dynamic gait parameters were collected from a total of 42 male Lewis rats spread across 3 time points: 1, 2, and 4 weeks post-injection. To provide a detailed analysis of this low dose MIA model, gait analysis was used to uniquely quantify both fore and hind limb gait parameters. Our data indicate that 1 mg of MIA caused relatively minor degeneration and a shuffle-step gait compensation, similar to the compensation observed in prior surgical models. These data from a 1 mg MIA model show a different gait compensation compared to a previously studied 3 mg model. This 1 mg MIA model resulted in gait compensations more similar to a previously studied surgical model of osteoarthritis. Additionally, this study provides detailed 4 limb analysis of rodent gait that includes spatiotemporal and dynamic data from the same gait trial. These data highlight the importance of measuring dynamic data in combination with spatiotemporal data, since compensatory gait patterns may not be captured by spatial, temporal, or dynamic characterizations alone. Copyright © 2018 Elsevier B.V. All rights reserved.

Key Structures and Interactions for Binding of Mycobacterium tuberculosis Protein Kinase B Inhibitors from Molecular Dynamics Simulation.

PubMed

Punkvang, Auradee; Kamsri, Pharit; Saparpakorn, Patchreenart; Hannongbua, Supa; Wolschann, Peter; Irle, Stephan; Pungpo, Pornpan

2015-07-01

Substituted aminopyrimidine inhibitors have recently been introduced as antituberculosis agents. These inhibitors show impressive activity against protein kinase B, a Ser/Thr protein kinase that is essential for cell growth of M. tuberculosis. However, up to now, X-ray structures of the protein kinase B enzyme complexes with the substituted aminopyrimidine inhibitors are currently unavailable. Consequently, structural details of their binding modes are questionable, prohibiting the structural-based design of more potent protein kinase B inhibitors in the future. Here, molecular dynamics simulations, in conjunction with molecular mechanics/Poisson-Boltzmann surface area binding free-energy analysis, were employed to gain insight into the complex structures of the protein kinase B inhibitors and their binding energetics. The complex structures obtained by the molecular dynamics simulations show binding free energies in good agreement with experiment. The detailed analysis of molecular dynamics results shows that Glu93, Val95, and Leu17 are key residues responsible to the binding of the protein kinase B inhibitors. The aminopyrazole group and the pyrimidine core are the crucial moieties of substituted aminopyrimidine inhibitors for interaction with the key residues. Our results provide a structural concept that can be used as a guide for the future design of protein kinase B inhibitors with highly increased antagonistic activity. © 2014 John Wiley & Sons A/S.

Tradeoffs in manipulator structure and control. Part 4: Flexible manipulator analysis program. [user manual

NASA Technical Reports Server (NTRS)

Book, W. J.

1974-01-01

The Flexible Manipulator Analysis Program (FMAP) is a collection of FORTRAN coding to allow easy analysis of the flexible dynamics of mechanical arms. The user specifies the arm configuration and parameters and any or all of several frequency domain analyses to be performed, while the time domain impulse response is obtained by inverse Fourier transformation of the frequency response. A detailed explanation of how to use FMAP is provided.

3D MR flow analysis in realistic rapid-prototyping model systems of the thoracic aorta: comparison with in vivo data and computational fluid dynamics in identical vessel geometries.

PubMed

Canstein, C; Cachot, P; Faust, A; Stalder, A F; Bock, J; Frydrychowicz, A; Küffer, J; Hennig, J; Markl, M

2008-03-01

The knowledge of local vascular anatomy and function in the human body is of high interest for the diagnosis and treatment of cardiovascular disease. A comprehensive analysis of the hemodynamics in the thoracic aorta is presented based on the integration of flow-sensitive 4D MRI with state-of-the-art rapid prototyping technology and computational fluid dynamics (CFD). Rapid prototyping was used to transform aortic geometries as measured by contrast-enhanced MR angiography into realistic vascular models with large anatomical coverage. Integration into a flow circuit with patient-specific pulsatile in-flow conditions and application of flow-sensitive 4D MRI permitted detailed analysis of local and global 3D flow dynamics in a realistic vascular geometry. Visualization of characteristic 3D flow patterns and quantitative comparisons of the in vitro experiments with in vivo data and CFD simulations in identical vascular geometries were performed to evaluate the accuracy of vascular model systems. The results indicate the potential of such patient-specific model systems for detailed experimental simulation of realistic vascular hemodynamics. Further studies are warranted to examine the influence of refined boundary conditions of the human circulatory system such as fluid-wall interaction and their effect on normal and pathological blood flow characteristics associated with vascular geometry. (c) 2008 Wiley-Liss, Inc.

A simplified dynamic model of the T700 turboshaft engine

NASA Technical Reports Server (NTRS)

Duyar, Ahmet; Gu, Zhen; Litt, Jonathan S.

1992-01-01

A simplified open-loop dynamic model of the T700 turboshaft engine, valid within the normal operating range of the engine, is developed. This model is obtained by linking linear state space models obtained at different engine operating points. Each linear model is developed from a detailed nonlinear engine simulation using a multivariable system identification and realization method. The simplified model may be used with a model-based real time diagnostic scheme for fault detection and diagnostics, as well as for open loop engine dynamics studies and closed loop control analysis utilizing a user generated control law.

Emergent user behavior on Twitter modelled by a stochastic differential equation.

PubMed

Mollgaard, Anders; Mathiesen, Joachim

2015-01-01

Data from the social-media site, Twitter, is used to study the fluctuations in tweet rates of brand names. The tweet rates are the result of a strongly correlated user behavior, which leads to bursty collective dynamics with a characteristic 1/f noise. Here we use the aggregated "user interest" in a brand name to model collective human dynamics by a stochastic differential equation with multiplicative noise. The model is supported by a detailed analysis of the tweet rate fluctuations and it reproduces both the exact bursty dynamics found in the data and the 1/f noise.

Finite element formulation with embedded weak discontinuities for strain localization under dynamic conditions

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

Jin, Tao; Mourad, Hashem M.; Bronkhorst, Curt A.

Here, we present an explicit finite element formulation designed for the treatment of strain localization under highly dynamic conditions. We also used a material stability analysis to detect the onset of localization behavior. Finite elements with embedded weak discontinuities are employed with the aim of representing subsequent localized deformation accurately. The formulation and its algorithmic implementation are described in detail. Numerical results are presented to illustrate the usefulness of this computational framework in the treatment of strain localization under highly dynamic conditions, and to examine its performance characteristics in the context of two-dimensional plane-strain problems.

Emergent User Behavior on Twitter Modelled by a Stochastic Differential Equation

PubMed Central

Mollgaard, Anders; Mathiesen, Joachim

2015-01-01

Data from the social-media site, Twitter, is used to study the fluctuations in tweet rates of brand names. The tweet rates are the result of a strongly correlated user behavior, which leads to bursty collective dynamics with a characteristic 1/f noise. Here we use the aggregated "user interest" in a brand name to model collective human dynamics by a stochastic differential equation with multiplicative noise. The model is supported by a detailed analysis of the tweet rate fluctuations and it reproduces both the exact bursty dynamics found in the data and the 1/f noise. PMID:25955783

Finite element formulation with embedded weak discontinuities for strain localization under dynamic conditions

DOE PAGES

Jin, Tao; Mourad, Hashem M.; Bronkhorst, Curt A.; ...

2017-09-13

Here, we present an explicit finite element formulation designed for the treatment of strain localization under highly dynamic conditions. We also used a material stability analysis to detect the onset of localization behavior. Finite elements with embedded weak discontinuities are employed with the aim of representing subsequent localized deformation accurately. The formulation and its algorithmic implementation are described in detail. Numerical results are presented to illustrate the usefulness of this computational framework in the treatment of strain localization under highly dynamic conditions, and to examine its performance characteristics in the context of two-dimensional plane-strain problems.

Dynamical effects in Bragg coherent x-ray diffraction imaging of finite crystals

NASA Astrophysics Data System (ADS)

Shabalin, A. G.; Yefanov, O. M.; Nosik, V. L.; Bushuev, V. A.; Vartanyants, I. A.

2017-08-01

We present simulations of Bragg coherent x-ray diffractive imaging (CXDI) data from finite crystals in the frame of the dynamical theory of x-ray diffraction. The developed approach is based on a numerical solution of modified Takagi-Taupin equations and can be applied for modeling of a broad range of x-ray diffraction experiments with finite three-dimensional crystals of arbitrary shape also in the presence of strain. We performed simulations for nanocrystals of a cubic and hemispherical shape of different sizes and provided a detailed analysis of artifacts in the Bragg CXDI reconstructions introduced by the dynamical diffraction. Based on our theoretical analysis we developed an analytical procedure to treat effects of refraction and absorption in the reconstruction. Our results elucidate limitations for the kinematical approach in the Bragg CXDI and suggest a natural criterion to distinguish between kinematical and dynamical cases in coherent x-ray diffraction on a finite crystal.

Design and Analysis of Turbines for Space Applications

NASA Technical Reports Server (NTRS)

Griffin, Lisa W.; Dorney, Daniel J.; Huber, Frank W.

2003-01-01

In order to mitigate the risk of rocket propulsion development, efficient, accurate, detailed fluid dynamics analysis of the turbomachinery is necessary. This analysis is used for component development, design parametrics, performance prediction, and environment definition. To support this requirement, a task was developed at NASAh4arshall Space Flight Center (MSFC) to improve turbine aerodynamic performance through the application of advanced design and analysis tools. There are four major objectives of this task: 1) to develop, enhance, and integrate advanced turbine aerodynamic design and analysis tools; 2) to develop the methodology for application of the analytical techniques; 3) to demonstrate the benefits of the advanced turbine design procedure through its application to a relevant turbine design point; and 4) to verify the optimized design and analysis with testing. The turbine chosen on which to demonstrate the procedure was a supersonic design suitable for a reusable launch vehicle (RLV). The hot gas path and blading were redesigned to obtain an increased efficiency. The redesign of the turbine was conducted with a consideration of system requirements, realizing that a highly efficient turbine that, for example, significantly increases engine weight, is of limited benefit. Both preliminary and detailed designs were considered. To generate an improved design, one-dimensional (1D) design and analysis tools, computational fluid dynamics (CFD), response surface methodology (RSM), and neural nets (NN) were used.

Slow dynamics of a protein backbone in molecular dynamics simulation revealed by time-structure based independent component analysis

NASA Astrophysics Data System (ADS)

Naritomi, Yusuke; Fuchigami, Sotaro

2013-12-01

We recently proposed the method of time-structure based independent component analysis (tICA) to examine the slow dynamics involved in conformational fluctuations of a protein as estimated by molecular dynamics (MD) simulation [Y. Naritomi and S. Fuchigami, J. Chem. Phys. 134, 065101 (2011)]. Our previous study focused on domain motions of the protein and examined its dynamics by using rigid-body domain analysis and tICA. However, the protein changes its conformation not only through domain motions but also by various types of motions involving its backbone and side chains. Some of these motions might occur on a slow time scale: we hypothesize that if so, we could effectively detect and characterize them using tICA. In the present study, we investigated slow dynamics of the protein backbone using MD simulation and tICA. The selected target protein was lysine-, arginine-, ornithine-binding protein (LAO), which comprises two domains and undergoes large domain motions. MD simulation of LAO in explicit water was performed for 1 μs, and the obtained trajectory of Cα atoms in the backbone was analyzed by tICA. This analysis successfully provided us with slow modes for LAO that represented either domain motions or local movements of the backbone. Further analysis elucidated the atomic details of the suggested local motions and confirmed that these motions truly occurred on the expected slow time scale.

DORCA 2 computer program. Volume 2: Programmer's manual

NASA Technical Reports Server (NTRS)

Gold, B. J.

1972-01-01

A guide for coding the Dynamic Operational Requirements and Cost Analysis Program (DORCA 2) is presented. The manual provides a detailed operation of every subroutine, the layout in core of the major matrices and arrays, and the meaning of all program values. Flow charts are included.

An Improved Spectral Analysis Method for Fatigue Damage Assessment of Details in Liquid Cargo Tanks

NASA Astrophysics Data System (ADS)

Zhao, Peng-yuan; Huang, Xiao-ping

2018-03-01

Errors will be caused in calculating the fatigue damages of details in liquid cargo tanks by using the traditional spectral analysis method which is based on linear system, for the nonlinear relationship between the dynamic stress and the ship acceleration. An improved spectral analysis method for the assessment of the fatigue damage in detail of a liquid cargo tank is proposed in this paper. Based on assumptions that the wave process can be simulated by summing the sinusoidal waves in different frequencies and the stress process can be simulated by summing the stress processes induced by these sinusoidal waves, the stress power spectral density (PSD) is calculated by expanding the stress processes induced by the sinusoidal waves into Fourier series and adding the amplitudes of each harmonic component with the same frequency. This analysis method can take the nonlinear relationship into consideration and the fatigue damage is then calculated based on the PSD of stress. Take an independent tank in an LNG carrier for example, the accuracy of the improved spectral analysis method is proved much better than that of the traditional spectral analysis method by comparing the calculated damage results with the results calculated by the time domain method. The proposed spectral analysis method is more accurate in calculating the fatigue damages in detail of ship liquid cargo tanks.

Fluid Compressibility Effects on the Dynamic Response of Hydrostatic Journal Bearings

NASA Technical Reports Server (NTRS)

Sanandres, Luis A.

1991-01-01

A theoretical analysis for the dynamic performance characteristics of laminar flow, capillar/orifice compensated hydrostatic journal bearings is presented. The analysis considers in detail the effect of fluid compressibility in the bearing recesses. At high frequency excitations beyond a break frequency, the bearing hydrostatic stiffness increases sharply and it is accompanied by a rapid decrease in direct damping. Also, the potential of pneumatic hammer instability (negative damping) at low frequencies is likely to occur in hydrostatic bearing applications handling highly compressible fluids. Useful design criteria to avoid undesirable dynamic operating conditions at low and high frequencies are determined. The effect of fluid recess compressibility is brought into perspective, and found to be of utmost importance on the entire frequency spectrum response and stability characteristics of hydrostatic/hybrid journal bearings.

Application of Dynamic Analysis in Semi-Analytical Finite Element Method.

PubMed

Liu, Pengfei; Xing, Qinyan; Wang, Dawei; Oeser, Markus

2017-08-30

Analyses of dynamic responses are significantly important for the design, maintenance and rehabilitation of asphalt pavement. In order to evaluate the dynamic responses of asphalt pavement under moving loads, a specific computational program, SAFEM, was developed based on a semi-analytical finite element method. This method is three-dimensional and only requires a two-dimensional FE discretization by incorporating Fourier series in the third dimension. In this paper, the algorithm to apply the dynamic analysis to SAFEM was introduced in detail. Asphalt pavement models under moving loads were built in the SAFEM and commercial finite element software ABAQUS to verify the accuracy and efficiency of the SAFEM. The verification shows that the computational accuracy of SAFEM is high enough and its computational time is much shorter than ABAQUS. Moreover, experimental verification was carried out and the prediction derived from SAFEM is consistent with the measurement. Therefore, the SAFEM is feasible to reliably predict the dynamic response of asphalt pavement under moving loads, thus proving beneficial to road administration in assessing the pavement's state.

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

NASA Technical Reports Server (NTRS)

Cassarino, S.; Sopher, R.

1982-01-01

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

Architectural Analysis of Dynamically Reconfigurable Systems

NASA Technical Reports Server (NTRS)

Lindvall, Mikael; Godfrey, Sally; Ackermann, Chris; Ray, Arnab; Yonkwa, Lyly

2010-01-01

oTpics include: the problem (increased flexibility of architectural styles decrease analyzability, behavior emerges and varies depending on the configuration, does the resulting system run according to the intended design, and architectural decisions can impede or facilitate testing); top down approach to architecture analysis, detection of defects and deviations, and architecture and its testability; currently targeted projects GMSEC and CFS; analyzing software architectures; analyzing runtime events; actual architecture recognition; GMPUB in Dynamic SAVE; sample output from new approach; taking message timing delays into account; CFS examples of architecture and testability; some recommendations for improved testablity; and CFS examples of abstract interfaces and testability; CFS example of opening some internal details.

Digit replacement: A generic map for nonlinear dynamical systems.

PubMed

García-Morales, Vladimir

2016-09-01

A simple discontinuous map is proposed as a generic model for nonlinear dynamical systems. The orbit of the map admits exact solutions for wide regions in parameter space and the method employed (digit manipulation) allows the mathematical design of useful signals, such as regular or aperiodic oscillations with specific waveforms, the construction of complex attractors with nontrivial properties as well as the coexistence of different basins of attraction in phase space with different qualitative properties. A detailed analysis of the dynamical behavior of the map suggests how the latter can be used in the modeling of complex nonlinear dynamics including, e.g., aperiodic nonchaotic attractors and the hierarchical deposition of grains of different sizes on a surface.

Interaction between Liénard and Ikeda dynamics in a nonlinear electro-optical oscillator with delayed bandpass feedback.

PubMed

Marquez, Bicky A; Larger, Laurent; Brunner, Daniel; Chembo, Yanne K; Jacquot, Maxime

2016-12-01

We report on experimental and theoretical analysis of the complex dynamics generated by a nonlinear time-delayed electro-optic bandpass oscillator. We investigate the interaction between the slow- and fast-scale dynamics of autonomous oscillations in the breather regime. We analyze in detail the coupling between the fast-scale behavior associated to a characteristic low-pass Ikeda behavior and the slow-scale dynamics associated to a Liénard limit-cycle. Finally, we show that when projected onto a two-dimensional phase space, the attractors corresponding to periodic and chaotic breathers display a spiral-like pattern, which strongly depends on the shape of the nonlinear function.

Chaotic dynamics in premixed hydrogen/air channel flow combustion

NASA Astrophysics Data System (ADS)

Pizza, Gianmarco; Frouzakis, Christos E.; Mantzaras, John

2012-04-01

The complex oscillatory behaviour observed in fuel-lean premixed hydrogen/air atmospheric pressure flames in an open planar channel with prescribed wall temperature is investigated by means of direct numerical simulations, employing detailed chemistry descriptions and species transport, and nonlinear dynamics analysis. As the inflow velocity is varied, the sequence of transitions includes harmonic single frequency oscillations, intermittency, mixed mode oscillations, and finally a period-doubling cascade leading to chaotic dynamics. The observed modes are described and characterised by means of phase-space portraits and next amplitude maps. It is shown that the interplay of chemistry, transport, and wall-bounded developing flow leads to considerably richer dynamics compared to fuel-lean hydrogen/air continuously stirred tank reactor studies.

Online analysis: Deeper insights into water quality dynamics in spring water.

PubMed

Page, Rebecca M; Besmer, Michael D; Epting, Jannis; Sigrist, Jürg A; Hammes, Frederik; Huggenberger, Peter

2017-12-01

We have studied the dynamics of water quality in three karst springs taking advantage of new technological developments that enable high-resolution measurements of bacterial load (total cell concentration: TCC) as well as online measurements of abiotic parameters. We developed a novel data analysis approach, using self-organizing maps and non-linear projection methods, to approximate the TCC dynamics using the multivariate data sets of abiotic parameter time-series, thus providing a method that could be implemented in an online water quality management system for water suppliers. The (TCC) data, obtained over several months, provided a good basis to study the microbiological dynamics in detail. Alongside the TCC measurements, online abiotic parameter time-series, including spring discharge, turbidity, spectral absorption coefficient at 254nm (SAC254) and electrical conductivity, were obtained. High-density sampling over an extended period of time, i.e. every 45min for 3months, allowed a detailed analysis of the dynamics in karst spring water quality. Substantial increases in both the TCC and the abiotic parameters followed precipitation events in the catchment area. Differences between the parameter fluctuations were only apparent when analyzed at a high temporal scale. Spring discharge was always the first to react to precipitation events in the catchment area. Lag times between the onset of precipitation and a change in discharge varied between 0.2 and 6.7h, depending on the spring and event. TCC mostly reacted second or approximately concurrent with turbidity and SAC254, whereby the fastest observed reaction in the TCC time series occurred after 2.3h. The methodological approach described here enables a better understanding of bacterial dynamics in karst springs, which can be used to estimate risks and management options to avoid contamination of the drinking water. Copyright © 2017 Elsevier B.V. All rights reserved.

Quantitative analysis of backbone dynamics in a crystalline protein from nitrogen-15 spin-lattice relaxation.

PubMed

Giraud, Nicolas; Blackledge, Martin; Goldman, Maurice; Böckmann, Anja; Lesage, Anne; Penin, François; Emsley, Lyndon

2005-12-28

A detailed analysis of nitrogen-15 longitudinal relaxation times in microcrystalline proteins is presented. A theoretical model to quantitatively interpret relaxation times is developed in terms of motional amplitude and characteristic time scale. Different averaging schemes are examined in order to propose an analysis of relaxation curves that takes into account the specificity of MAS experiments. In particular, it is shown that magic angle spinning averages the relaxation rate experienced by a single spin over one rotor period, resulting in individual relaxation curves that are dependent on the orientation of their corresponding carousel with respect to the rotor axis. Powder averaging thus leads to a nonexponential behavior in the observed decay curves. We extract dynamic information from experimental decay curves, using a diffusion in a cone model. We apply this study to the analysis of spin-lattice relaxation rates of the microcrystalline protein Crh at two different fields and determine differential dynamic parameters for several residues in the protein.

Spatio-temporal hierarchy in the dynamics of a minimalist protein model

NASA Astrophysics Data System (ADS)

Matsunaga, Yasuhiro; Baba, Akinori; Li, Chun-Biu; Straub, John E.; Toda, Mikito; Komatsuzaki, Tamiki; Berry, R. Stephen

2013-12-01

A method for time series analysis of molecular dynamics simulation of a protein is presented. In this approach, wavelet analysis and principal component analysis are combined to decompose the spatio-temporal protein dynamics into contributions from a hierarchy of different time and space scales. Unlike the conventional Fourier-based approaches, the time-localized wavelet basis captures the vibrational energy transfers among the collective motions of proteins. As an illustrative vehicle, we have applied our method to a coarse-grained minimalist protein model. During the folding and unfolding transitions of the protein, vibrational energy transfers between the fast and slow time scales were observed among the large-amplitude collective coordinates while the other small-amplitude motions are regarded as thermal noise. Analysis employing a Gaussian-based measure revealed that the time scales of the energy redistribution in the subspace spanned by such large-amplitude collective coordinates are slow compared to the other small-amplitude coordinates. Future prospects of the method are discussed in detail.

CAMERRA: An analysis tool for the computation of conformational dynamics by evaluating residue-residue associations.

PubMed

Johnson, Quentin R; Lindsay, Richard J; Shen, Tongye

2018-02-21

A computational method which extracts the dominant motions from an ensemble of biomolecular conformations via a correlation analysis of residue-residue contacts is presented. The algorithm first renders the structural information into contact matrices, then constructs the collective modes based on the correlated dynamics of a selected set of dynamic contacts. Associated programs can bridge the results for further visualization using graphics software. The aim of this method is to provide an analysis of conformations of biopolymers from the contact viewpoint. It may assist a systematical uncovering of conformational switching mechanisms existing in proteins and biopolymer systems in general by statistical analysis of simulation snapshots. In contrast to conventional correlation analyses of Cartesian coordinates (such as distance covariance analysis and Cartesian principal component analysis), this program also provides an alternative way to locate essential collective motions in general. Herein, we detail the algorithm in a stepwise manner and comment on the importance of the method as applied to decoding allosteric mechanisms. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Comprehensive Structural Dynamic Analysis of the SSME/AT Fuel Pump First-Stage Turbine Blade

NASA Technical Reports Server (NTRS)

Brown, A. M.

1998-01-01

A detailed structural dynamic analysis of the Pratt & Whitney high-pressure fuel pump first-stage turbine blades has been performed to identify the cause of the tip cracking found in the turbomachinery in November 1997. The analysis was also used to help evaluate potential fixes for the problem. Many of the methods available in structural dynamics were applied, including modal displacement and stress analysis, frequency and transient response to tip loading from the first-stage Blade Outer Gas Seals (BOGS), fourier analysis, and shock spectra analysis of the transient response. The primary findings were that the BOGS tip loading is impulsive in nature, thereby exciting many modes of the blade that exhibit high stress at the tip cracking location. Therefore, a proposed BOGS count change would not help the situation because a clearly identifiable resonance situation does not exist. The recommendations for the resolution of the problem are to maintain the existing BOGS count, eliminate the stress concentration in the blade due to its geometric design, and reduce the applied load on the blade by adding shiplaps in the BOGS.

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

NASA Technical Reports Server (NTRS)

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

1991-01-01

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

Dynamic characteristics of a vibrating beam with periodic variation in bending stiffness

NASA Technical Reports Server (NTRS)

Townsend, John S.

1987-01-01

A detailed dynamic analysis is performed of a vibrating beam with bending stiffness periodic in the spatial coordinate. Using a perturbation expansion technique the free vibration solution is obtained in a closed-form, and the effects of system parameters on beam response are explored. It is found that periodic stiffness acts to modulate the modal displacements from the characteristic shape of a simple sine wave. The results are verified by a finite element solution and through experimental testing.

Distillation tray structural parameter study: Phase 1

NASA Technical Reports Server (NTRS)

Winter, J. Ronald

1991-01-01

The purpose here is to identify the structural parameters (plate thickness, liquid level, beam size, number of beams, tray diameter, etc.) that affect the structural integrity of distillation trays in distillation columns. Once the sensitivity of the trays' dynamic response to these parameters has been established, the designer will be able to use this information to prepare more accurate specifications for the construction of new trays. Information is given on both static and dynamic analysis, modal response, and tray failure details.

Novel R tools for analysis of genome-wide population genetic data with emphasis on clonality

USDA-ARS?s Scientific Manuscript database

To gain a detailed understanding of how plant microbes evolve and adapt to hosts, pesticides, and other factors, knowledge of the population dynamics and evolutionary history of populations is crucial. Plant pathogen populations are often clonal or partially clonal which requires different analytica...

Nonlinear dynamic modeling of rotor system supported by angular contact ball bearings

NASA Astrophysics Data System (ADS)

Wang, Hong; Han, Qinkai; Zhou, Daning

2017-02-01

In current bearing dynamic models, the displacement coordinate relations are usually utilized to approximately obtain the contact deformations between the rolling element and raceways, and then the nonlinear restoring forces of the rolling bearing could be calculated accordingly. Although the calculation efficiency is relatively higher, the accuracy is lower as the contact deformations should be solved through iterative analysis. Thus, an improved nonlinear dynamic model is presented in this paper. Considering the preload condition, surface waviness, Hertz contact and elastohydrodynamic lubrication, load distribution analysis is solved iteratively to more accurately obtain the contact deformations and angles between the rolling balls and raceways. The bearing restoring forces are then obtained through iteratively solving the load distribution equations at every time step. Dynamic tests upon a typical rotor system supported by two angular contact ball bearings are conducted to verify the model. Through comparisons, the differences between the nonlinear dynamic model and current models are also pointed out. The effects of axial preload, rotor eccentricity and inner/outer waviness amplitudes on the dynamic response are discussed in detail.

Two worlds collide: Image analysis methods for quantifying structural variation in cluster molecular dynamics

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

Steenbergen, K. G., E-mail: kgsteen@gmail.com; Gaston, N.

2014-02-14

Inspired by methods of remote sensing image analysis, we analyze structural variation in cluster molecular dynamics (MD) simulations through a unique application of the principal component analysis (PCA) and Pearson Correlation Coefficient (PCC). The PCA analysis characterizes the geometric shape of the cluster structure at each time step, yielding a detailed and quantitative measure of structural stability and variation at finite temperature. Our PCC analysis captures bond structure variation in MD, which can be used to both supplement the PCA analysis as well as compare bond patterns between different cluster sizes. Relying only on atomic position data, without requirement formore » a priori structural input, PCA and PCC can be used to analyze both classical and ab initio MD simulations for any cluster composition or electronic configuration. Taken together, these statistical tools represent powerful new techniques for quantitative structural characterization and isomer identification in cluster MD.« less

Two worlds collide: image analysis methods for quantifying structural variation in cluster molecular dynamics.

PubMed

Steenbergen, K G; Gaston, N

2014-02-14

Inspired by methods of remote sensing image analysis, we analyze structural variation in cluster molecular dynamics (MD) simulations through a unique application of the principal component analysis (PCA) and Pearson Correlation Coefficient (PCC). The PCA analysis characterizes the geometric shape of the cluster structure at each time step, yielding a detailed and quantitative measure of structural stability and variation at finite temperature. Our PCC analysis captures bond structure variation in MD, which can be used to both supplement the PCA analysis as well as compare bond patterns between different cluster sizes. Relying only on atomic position data, without requirement for a priori structural input, PCA and PCC can be used to analyze both classical and ab initio MD simulations for any cluster composition or electronic configuration. Taken together, these statistical tools represent powerful new techniques for quantitative structural characterization and isomer identification in cluster MD.

[3D visualization and analysis of vocal fold dynamics].

PubMed

Bohr, C; Döllinger, M; Kniesburges, S; Traxdorf, M

2016-04-01

Visual investigation methods of the larynx mainly allow for the two-dimensional presentation of the three-dimensional structures of the vocal fold dynamics. The vertical component of the vocal fold dynamics is often neglected, yielding a loss of information. The latest studies show that the vertical dynamic components are in the range of the medio-lateral dynamics and play a significant role within the phonation process. This work presents a method for future 3D reconstruction and visualization of endoscopically recorded vocal fold dynamics. The setup contains a high-speed camera (HSC) and a laser projection system (LPS). The LPS projects a regular grid on the vocal fold surfaces and in combination with the HSC allows a three-dimensional reconstruction of the vocal fold surface. Hence, quantitative information on displacements and velocities can be provided. The applicability of the method is presented for one ex-vivo human larynx, one ex-vivo porcine larynx and one synthetic silicone larynx. The setup introduced allows the reconstruction of the entire visible vocal fold surfaces for each oscillation status. This enables a detailed analysis of the three dimensional dynamics (i. e. displacements, velocities, accelerations) of the vocal folds. The next goal is the miniaturization of the LPS to allow clinical in-vivo analysis in humans. We anticipate new insight on dependencies between 3D dynamic behavior and the quality of the acoustic outcome for healthy and disordered phonation.

Calculation of three-dimensional, inviscid, supersonic, steady flows

NASA Technical Reports Server (NTRS)

Moretti, G.

1981-01-01

A detailed description of a computational program for the evaluation of three dimensional supersonic, inviscid, steady flow past airplanes is presented. Emphasis was put on how a powerful, automatic mapping technique is coupled to the fluid mechanical analysis. Each of the three constituents of the analysis (body geometry, mapping technique, and gas dynamical effects) was carefully coded and described. Results of computations based on sample geometrics and discussions are also presented.

United States Air Force Graduate Student Research Program. Program Management Report

DTIC Science & Technology

1988-12-01

PRELIMINARY STRUCTURAL DESIGN/OPTIMIZATION by Richard A. Swift ABSTRACT Finite element analysis for use in structural design has advanced to the point where...Plates Subjected Gregory Schoeppner to Low Velocity Impact *** Same Report as Prof. William Wolfe * 57 Finite Element Analysis for Preliminary Richard...and dynamic load conditions using both radial and bias- ply tires. A detailed three-dimensional finite - element model of the wheel was generated for

A Dynamic Simulation of Musculoskeletal Function in the Mouse Hindlimb During Trotting Locomotion

PubMed Central

Charles, James P.; Cappellari, Ornella; Hutchinson, John R.

2018-01-01

Mice are often used as animal models of various human neuromuscular diseases, and analysis of these models often requires detailed gait analysis. However, little is known of the dynamics of the mouse musculoskeletal system during locomotion. In this study, we used computer optimization procedures to create a simulation of trotting in a mouse, using a previously developed mouse hindlimb musculoskeletal model in conjunction with new experimental data, allowing muscle forces, activation patterns, and levels of mechanical work to be estimated. Analyzing musculotendon unit (MTU) mechanical work throughout the stride allowed a deeper understanding of their respective functions, with the rectus femoris MTU dominating the generation of positive and negative mechanical work during the swing and stance phases. This analysis also tested previous functional inferences of the mouse hindlimb made from anatomical data alone, such as the existence of a proximo-distal gradient of muscle function, thought to reflect adaptations for energy-efficient locomotion. The results do not strongly support the presence of this gradient within the mouse musculoskeletal system, particularly given relatively high negative net work output from the ankle plantarflexor MTUs, although more detailed simulations could test this further. This modeling analysis lays a foundation for future studies of the control of vertebrate movement through the development of neuromechanical simulations. PMID:29868576

Improved numerical solutions for chaotic-cancer-model

NASA Astrophysics Data System (ADS)

Yasir, Muhammad; Ahmad, Salman; Ahmed, Faizan; Aqeel, Muhammad; Akbar, Muhammad Zubair

2017-01-01

In biological sciences, dynamical system of cancer model is well known due to its sensitivity and chaoticity. Present work provides detailed computational study of cancer model by counterbalancing its sensitive dependency on initial conditions and parameter values. Cancer chaotic model is discretized into a system of nonlinear equations that are solved using the well-known Successive-Over-Relaxation (SOR) method with a proven convergence. This technique enables to solve large systems and provides more accurate approximation which is illustrated through tables, time history maps and phase portraits with detailed analysis.

The influence of carrier dynamics on double-state lasing in quantum dot lasers at variable temperature

NASA Astrophysics Data System (ADS)

Korenev, V. V.; Savelyev, A. V.; Zhukov, A. E.; Omelchenko, A. V.; Maximov, M. V.

2014-12-01

It is shown in analytical form that the carrier capture from the matrix as well as carrier dynamics in quantum dots plays an important role in double-state lasing phenomenon. In particular, the de-synchronization of hole and electron captures allows one to describe recently observed quenching of ground-state lasing, which takes place in quantum dot lasers operating in double-state lasing regime at high injection. From the other side, the detailed analysis of charge carrier dynamics in the single quantum dot enables one to describe the observed light-current characteristics and key temperature dependences.

Kapitza resistance of Si/SiO2 interface

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

Bowen Deng; Aleksandr Chenatynskiy; Marat Khafizov

2014-02-01

A phonon wave packet dynamics method is used to characterize the Kapitza resistance of a Si/SiO2 interface in a Si/SiO2/Si heterostructure. By varying the thickness of SiO2 layer sandwiched between two Si layers, we determine the Kapitza resistance for the Si/SiO2 interface from both wave packet dynamics and a direct, non-equilibrium molecular dynamics approach. The good agreement between the two methods indicates that they have each captured the anharmonic phonon scatterings at the interface. Moreover, detailed analysis provides insights as to how individual phonon mode scatters at the interface and their contribution to the Kapitza resistance.

Analysis of ISO NE Balancing Requirements: Uncertainty-based Secure Ranges for ISO New England Dynamic Inerchange Adjustments

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

Etingov, Pavel V.; Makarov, Yuri V.; Wu, Di

The document describes detailed uncertainty quantification (UQ) methodology developed by PNNL to estimate secure ranges of potential dynamic intra-hour interchange adjustments in the ISO-NE system and provides description of the dynamic interchange adjustment (DINA) tool developed under the same contract. The overall system ramping up and down capability, spinning reserve requirements, interchange schedules, load variations and uncertainties from various sources that are relevant to the ISO-NE system are incorporated into the methodology and the tool. The DINA tool has been tested by PNNL and ISO-NE staff engineers using ISO-NE data.

Multiphysics Nuclear Thermal Rocket Thrust Chamber Analysis

NASA Technical Reports Server (NTRS)

Wang, Ten-See

2005-01-01

The objective of this effort is t o develop an efficient and accurate thermo-fluid computational methodology to predict environments for hypothetical thrust chamber design and analysis. The current task scope is to perform multidimensional, multiphysics analysis of thrust performance and heat transfer analysis for a hypothetical solid-core, nuclear thermal engine including thrust chamber and nozzle. The multiphysics aspects of the model include: real fluid dynamics, chemical reactivity, turbulent flow, and conjugate heat transfer. The model will be designed to identify thermal, fluid, and hydrogen environments in all flow paths and materials. This model would then be used to perform non- nuclear reproduction of the flow element failures demonstrated in the Rover/NERVA testing, investigate performance of specific configurations and assess potential issues and enhancements. A two-pronged approach will be employed in this effort: a detailed analysis of a multi-channel, flow-element, and global modeling of the entire thrust chamber assembly with a porosity modeling technique. It is expected that the detailed analysis of a single flow element would provide detailed fluid, thermal, and hydrogen environments for stress analysis, while the global thrust chamber assembly analysis would promote understanding of the effects of hydrogen dissociation and heat transfer on thrust performance. These modeling activities will be validated as much as possible by testing performed by other related efforts.

Dynamic analysis of horizontal axis wind turbine by thin-walled beam theory

NASA Astrophysics Data System (ADS)

Wang, Jianhong; Qin, Datong; Lim, Teik C.

2010-08-01

A mixed flexible-rigid multi-body mathematical model is applied to predict the dynamic performance of a wind turbine system. Since the tower and rotor are both flexible thin-walled structures, a consistent expression for their deformations is applied, which employs a successive series of transformations to locate any point on the blade and tower relative to an inertial coordinate system. The kinetic and potential energy terms of each flexible body and rigid body are derived for use in the Lagrange approach to formulate the wind turbine system's governing equation. The mode shapes are then obtained from the free vibration solution, while the distributions of dynamic stress and displacement of the tower and rotor are computed from the forced vibration response analysis. Using this dynamic model, the influence of the tower's stiffness on the blade tip deformation is studied. From the analysis, it is evident that the proposed model not only inherits the simplicity of the traditional 1-D beam element, but also able to provide detailed information about the tower and rotor response due to the incorporation of the flexible thin-walled beam theory.

An online input force time history reconstruction algorithm using dynamic principal component analysis

NASA Astrophysics Data System (ADS)

Prawin, J.; Rama Mohan Rao, A.

2018-01-01

The knowledge of dynamic loads acting on a structure is always required for many practical engineering problems, such as structural strength analysis, health monitoring and fault diagnosis, and vibration isolation. In this paper, we present an online input force time history reconstruction algorithm using Dynamic Principal Component Analysis (DPCA) from the acceleration time history response measurements using moving windows. We also present an optimal sensor placement algorithm to place limited sensors at dynamically sensitive spatial locations. The major advantage of the proposed input force identification algorithm is that it does not require finite element idealization of structure unlike the earlier formulations and therefore free from physical modelling errors. We have considered three numerical examples to validate the accuracy of the proposed DPCA based method. Effects of measurement noise, multiple force identification, different kinds of loading, incomplete measurements, and high noise levels are investigated in detail. Parametric studies have been carried out to arrive at optimal window size and also the percentage of window overlap. Studies presented in this paper clearly establish the merits of the proposed algorithm for online load identification.

Analysis of pilot control strategy

NASA Technical Reports Server (NTRS)

Heffley, R. K.; Hanson, G. D.; Jewell, W. F.; Clement, W. F.

1983-01-01

Methods for nonintrusive identification of pilot control strategy and task execution dynamics are presented along with examples based on flight data. The specific analysis technique is Nonintrusive Parameter Identification Procedure (NIPIP), which is described in a companion user's guide (NASA CR-170398). Quantification of pilot control strategy and task execution dynamics is discussed in general terms followed by a more detailed description of how NIPIP can be applied. The examples are based on flight data obtained from the NASA F-8 digital fly by wire airplane. These examples involve various piloting tasks and control axes as well as a demonstration of how the dynamics of the aircraft itself are identified using NIPIP. Application of NIPIP to the AFTI/F-16 flight test program is discussed. Recommendations are made for flight test applications in general and refinement of NIPIP to include interactive computer graphics.

Experimental Determination of the Dynamic Hydraulic Transfer Function for the J-2X Oxidizer Turbopump. Part One; Methodology

NASA Technical Reports Server (NTRS)

Zoladz, Tom; Patel, Sandeep; Lee, Erik; Karon, Dave

2011-01-01

An advanced methodology for extracting the hydraulic dynamic pump transfer matrix (Yp) for a cavitating liquid rocket engine turbopump inducer+impeller has been developed. The transfer function is required for integrated vehicle pogo stability analysis as well as optimization of local inducer pumping stability. Laboratory pulsed subscale waterflow test of the J-2X oxygen turbo pump is introduced and our new extraction method applied to the data collected. From accurate measures of pump inlet and discharge perturbational mass flows and pressures, and one-dimensional flow models that represents complete waterflow loop physics, we are able to derive Yp and hence extract the characteristic pump parameters: compliance, pump gain, impedance, mass flow gain. Detailed modeling is necessary to accurately translate instrument plane measurements to the pump inlet and discharge and extract Yp. We present the MSFC Dynamic Lump Parameter Fluid Model Framework and describe critical dynamic component details. We report on fit minimization techniques, cost (fitness) function derivation, and resulting model fits to our experimental data are presented. Comparisons are made to alternate techniques for spatially translating measurement stations to actual pump inlet and discharge.

Preparation, characterization and dynamical mechanical properties of dextran-coated iron oxide nanoparticles (DIONPs).

PubMed

Can, Hatice Kaplan; Kavlak, Serap; ParviziKhosroshahi, Shahed; Güner, Ali

2018-03-01

Dextran-coated iron oxide nanoparticles (DIONPs) with appropriate surface chemistry exhibit many interesting properties that can be exploited in a variety of biomedical applications such as magnetic resonance imaging (MRI) contrast enhancement, tissue repair, hyperthermia, drug delivery and in cell separation. This paper reports the experimental detail for preparation, characterization and investigation of thermal and dynamical mechanical characteristics of the dextran-coated Fe 3 O 4 magnetic nanoparticles. In our work, DIONPs were prepared in a 1:2 ratio of Fe(II) and Fe(III) salt in the HCl solution with NaOH at given temperature. The obtained dextran-coated iron-oxide nanoparticles structure-property correlation was characterized by spectroscopic methods; attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) and XRD. Coating dextran on the iron-oxide proof of important peaks can be seen from the ATR-FTIR. Dramatic crystallinity increment can be observed from the XRD pattern of the iron-oxide dextran nanoparticles. The thermal analysis was examined by differential scanning calorimetry (DSC), thermal gravimetric analysis (TGA) and differential thermal analysis (DTA). Dynamical mechanical properties of dextran nanoparticles were analysed by dynamic mechanical analysis (DMA). Thermal stability of the iron oxide dextran nanoparticles is higher than that of the dextran.

Principal component analysis of molecular dynamics: On the use of Cartesian vs. internal coordinates

NASA Astrophysics Data System (ADS)

Sittel, Florian; Jain, Abhinav; Stock, Gerhard

2014-07-01

Principal component analysis of molecular dynamics simulations is a popular method to account for the essential dynamics of the system on a low-dimensional free energy landscape. Using Cartesian coordinates, first the translation and overall rotation need to be removed from the trajectory. Since the rotation depends via the moment of inertia on the molecule's structure, this separation is only straightforward for relatively rigid systems. Adopting millisecond molecular dynamics simulations of the folding of villin headpiece and the functional dynamics of BPTI provided by D. E. Shaw Research, it is demonstrated via a comparison of local and global rotational fitting that the structural dynamics of flexible molecules necessarily results in a mixing of overall and internal motion. Even for the small-amplitude functional motion of BPTI, the conformational distribution obtained from a Cartesian principal component analysis therefore reflects to some extend the dominant overall motion rather than the much smaller internal motion of the protein. Internal coordinates such as backbone dihedral angles, on the other hand, are found to yield correct and well-resolved energy landscapes for both examples. The virtues and shortcomings of the choice of various fitting schemes and coordinate sets as well as the generality of these results are discussed in some detail.

Principal component analysis of molecular dynamics: on the use of Cartesian vs. internal coordinates.

PubMed

Sittel, Florian; Jain, Abhinav; Stock, Gerhard

2014-07-07

Principal component analysis of molecular dynamics simulations is a popular method to account for the essential dynamics of the system on a low-dimensional free energy landscape. Using Cartesian coordinates, first the translation and overall rotation need to be removed from the trajectory. Since the rotation depends via the moment of inertia on the molecule's structure, this separation is only straightforward for relatively rigid systems. Adopting millisecond molecular dynamics simulations of the folding of villin headpiece and the functional dynamics of BPTI provided by D. E. Shaw Research, it is demonstrated via a comparison of local and global rotational fitting that the structural dynamics of flexible molecules necessarily results in a mixing of overall and internal motion. Even for the small-amplitude functional motion of BPTI, the conformational distribution obtained from a Cartesian principal component analysis therefore reflects to some extend the dominant overall motion rather than the much smaller internal motion of the protein. Internal coordinates such as backbone dihedral angles, on the other hand, are found to yield correct and well-resolved energy landscapes for both examples. The virtues and shortcomings of the choice of various fitting schemes and coordinate sets as well as the generality of these results are discussed in some detail.

Coupled protein-ligand dynamics in truncated hemoglobin N from atomistic simulations and transition networks.

PubMed

Cazade, Pierre-André; Berezovska, Ganna; Meuwly, Markus

2015-05-01

The nature of ligand motion in proteins is difficult to characterize directly using experiment. Specifically, it is unclear to what degree these motions are coupled. All-atom simulations are used to sample ligand motion in truncated Hemoglobin N. A transition network analysis including ligand- and protein-degrees of freedom is used to analyze the microscopic dynamics. Clustering of two different subsets of MD trajectories highlights the importance of a diverse and exhaustive description to define the macrostates for a ligand-migration network. Monte Carlo simulations on the transition matrices from one particular clustering are able to faithfully capture the atomistic simulations. Contrary to clustering by ligand positions only, including a protein degree of freedom yields considerably improved coarse grained dynamics. Analysis with and without imposing detailed balance agree closely which suggests that the underlying atomistic simulations are converged with respect to sampling transitions between neighboring sites. Protein and ligand dynamics are not independent from each other and ligand migration through globular proteins is not passive diffusion. Transition network analysis is a powerful tool to analyze and characterize the microscopic dynamics in complex systems. This article is part of a Special Issue entitled Recent developments of molecular dynamics. Copyright © 2014 Elsevier B.V. All rights reserved.

ReaDDy - A Software for Particle-Based Reaction-Diffusion Dynamics in Crowded Cellular Environments

PubMed Central

Schöneberg, Johannes; Noé, Frank

2013-01-01

We introduce the software package ReaDDy for simulation of detailed spatiotemporal mechanisms of dynamical processes in the cell, based on reaction-diffusion dynamics with particle resolution. In contrast to other particle-based reaction kinetics programs, ReaDDy supports particle interaction potentials. This permits effects such as space exclusion, molecular crowding and aggregation to be modeled. The biomolecules simulated can be represented as a sphere, or as a more complex geometry such as a domain structure or polymer chain. ReaDDy bridges the gap between small-scale but highly detailed molecular dynamics or Brownian dynamics simulations and large-scale but little-detailed reaction kinetics simulations. ReaDDy has a modular design that enables the exchange of the computing core by efficient platform-specific implementations or dynamical models that are different from Brownian dynamics. PMID:24040218

Excited state dynamics of thiophene and bithiophene: new insights into theoretically challenging systems.

PubMed

Prlj, Antonio; Curchod, Basile F E; Corminboeuf, Clémence

2015-06-14

The computational elucidation and proper description of the ultrafast deactivation mechanisms of simple organic electronic units, such as thiophene and its oligomers, is as challenging as it is contentious. A comprehensive excited state dynamics analysis of these systems utilizing reliable electronic structure approaches is currently lacking, with earlier pictures of the photochemistry of these systems being conceived based upon high-level static computations or lower level dynamic trajectories. Here a detailed surface hopping molecular dynamics of thiophene and bithiophene using the algebraic diagrammatic construction to second order (ADC(2)) method is presented. Our findings illustrate that ring puckering plays an important role in thiophene photochemistry and that the photostability increases when going upon dimerization into bithiophene.

Revealing time bunching effect in single-molecule enzyme conformational dynamics.

PubMed

Lu, H Peter

2011-04-21

In this perspective, we focus our discussion on how the single-molecule spectroscopy and statistical analysis are able to reveal enzyme hidden properties, taking the study of T4 lysozyme as an example. Protein conformational fluctuations and dynamics play a crucial role in biomolecular functions, such as in enzymatic reactions. Single-molecule spectroscopy is a powerful approach to analyze protein conformational dynamics under physiological conditions, providing dynamic perspectives on a molecular-level understanding of protein structure-function mechanisms. Using single-molecule fluorescence spectroscopy, we have probed T4 lysozyme conformational motions under the hydrolysis reaction of a polysaccharide of E. coli B cell walls by monitoring the fluorescence resonant energy transfer (FRET) between a donor-acceptor probe pair tethered to T4 lysozyme domains involving open-close hinge-bending motions. Based on the single-molecule spectroscopic results, molecular dynamics simulation, a random walk model analysis, and a novel 2D statistical correlation analysis, we have revealed a time bunching effect in protein conformational motion dynamics that is critical to enzymatic functions. Bunching effect implies that conformational motion times tend to bunch in a finite and narrow time window. We show that convoluted multiple Poisson rate processes give rise to the bunching effect in the enzymatic reaction dynamics. Evidently, the bunching effect is likely common in protein conformational dynamics involving in conformation-gated protein functions. In this perspective, we will also discuss a new approach of 2D regional correlation analysis capable of analyzing fluctuation dynamics of complex multiple correlated and anti-correlated fluctuations under a non-correlated noise background. Using this new method, we are able to map out any defined segments along the fluctuation trajectories and determine whether they are correlated, anti-correlated, or non-correlated; after which, a cross correlation analysis can be applied for each specific segment to obtain a detailed fluctuation dynamics analysis.

Time Step Considerations when Simulating Dynamic Behavior of High Performance Homes

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

Tabares-Velasco, Paulo Cesar

2016-09-01

Building energy simulations, especially those concerning pre-cooling strategies and cooling/heating peak demand management, require careful analysis and detailed understanding of building characteristics. Accurate modeling of the building thermal response and material properties for thermally massive walls or advanced materials like phase change materials (PCMs) are critically important.

Team Design Communication Patterns in e-Learning Design and Development

ERIC Educational Resources Information Center

Rapanta, Chrysi; Maina, Marcelo; Lotz, Nicole; Bacchelli, Alberto

2013-01-01

Prescriptive stage models have been found insufficient to describe the dynamic aspects of designing, especially in interdisciplinary e-learning design teams. There is a growing need for a systematic empirical analysis of team design processes that offer deeper and more detailed insights into instructional design (ID) than general models can offer.…

Damped Mechanical Oscillator: Experiment and Detailed Energy Analysis

ERIC Educational Resources Information Center

Corridoni, Tommaso; D'Anna, Michele; Fuchs, Hans

2014-01-01

The damped oscillator is discussed in every high school textbook or introductory physics course, and a large number of papers are devoted to it in physics didactics journals. Papers typically focus on kinematic and dynamic aspects and less often on energy. Among the latter, some are devoted to the peculiar decreasing behavior of energy…

Damped Mechanical Oscillator: Experiment and Detailed Energy Analysis

NASA Astrophysics Data System (ADS)

Corridoni, Tommaso; D'Anna, Michele; Fuchs, Hans

2014-02-01

The damped oscillator is discussed in every high school textbook or introductory physics course, and a large number of papers are devoted to it in physics didactics journals. Papers typically focus on kinematic and dynamic aspects and less often on energy. Among the latter, some are devoted to the peculiar decreasing behavior of energy characterized by ripples, which can easily be demonstrated by using a dynamic modeling approach.8 In this note we consider an oscillator consisting of a cart running on a horizontal track, two springs, and a damping device created with magnets and a metal plate attached to the cart (Fig. 1). Using sensors and data-acquisition software,9 we measure kinematic quantities and three forces: those of the springs on the cart and, separately, the force between magnets and the plate. A detailed analysis of the energy exchanges between the cart and the interacting parts is obtained. In particular, we show that only the energy exchanges with the magnets are affected by dissipative processes while over a suitable time interval the net energy exchanged between cart and springs equals zero.

Development of a simulation model for dynamic derailment analysis of high-speed trains

NASA Astrophysics Data System (ADS)

Ling, Liang; Xiao, Xin-Biao; Jin, Xue-Song

2014-12-01

The running safety of high-speed trains has become a major concern of the current railway research with the rapid development of high-speed railways around the world. The basic safety requirement is to prevent the derailment. The root causes of the dynamic derailment of high-speed trains operating in severe environments are not easy to identify using the field tests or laboratory experiments. Numerical simulation using an advanced train-track interaction model is a highly efficient and low-cost approach to investigate the dynamic derailment behavior and mechanism of high-speed trains. This paper presents a three-dimensional dynamic model of a high-speed train coupled with a ballast track for dynamic derailment analysis. The model considers a train composed of multiple vehicles and the nonlinear inter-vehicle connections. The ballast track model consists of rails, fastenings, sleepers, ballasts, and roadbed, which are modeled by Euler beams, nonlinear spring-damper elements, equivalent ballast bodies, and continuous viscoelastic elements, in which the modal superposition method was used to reduce the order of the partial differential equations of Euler beams. The commonly used derailment safety assessment criteria around the world are embedded in the simulation model. The train-track model was then used to investigate the dynamic derailment responses of a high-speed train passing over a buckled track, in which the derailment mechanism and train running posture during the dynamic derailment process were analyzed in detail. The effects of train and track modelling on dynamic derailment analysis were also discussed. The numerical results indicate that the train and track modelling options have a significant effect on the dynamic derailment analysis. The inter-vehicle impacts and the track flexibility and nonlinearity should be considered in the dynamic derailment simulations.

Coupled Loads Analysis of the Modified NASA Barge Pegasus and Space Launch System Hardware

NASA Technical Reports Server (NTRS)

Knight, J. Brent

2015-01-01

A Coupled Loads Analysis (CLA) has been performed for barge transport of Space Launch System hardware on the recently modified NASA barge Pegasus. The barge re-design was facilitated with detailed finite element analyses by the ARMY Corps of Engineers - Marine Design Center. The Finite Element Model (FEM) utilized in the design was also used in the subject CLA. The Pegasus FEM and CLA results are presented as well as a comparison of the analysis process to that of a payload being transported to space via the Space Shuttle. Discussion of the dynamic forcing functions is included as well. The process of performing a dynamic CLA of NASA hardware during marine transport is thought to be a first and can likely support minimization of undue conservatism.

Post-processing interstitialcy diffusion from molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Bhardwaj, U.; Bukkuru, S.; Warrier, M.

2016-01-01

An algorithm to rigorously trace the interstitialcy diffusion trajectory in crystals is developed. The algorithm incorporates unsupervised learning and graph optimization which obviate the need to input extra domain specific information depending on crystal or temperature of the simulation. The algorithm is implemented in a flexible framework as a post-processor to molecular dynamics (MD) simulations. We describe in detail the reduction of interstitialcy diffusion into known computational problems of unsupervised clustering and graph optimization. We also discuss the steps, computational efficiency and key components of the algorithm. Using the algorithm, thermal interstitialcy diffusion from low to near-melting point temperatures is studied. We encapsulate the algorithms in a modular framework with functionality to calculate diffusion coefficients, migration energies and other trajectory properties. The study validates the algorithm by establishing the conformity of output parameters with experimental values and provides detailed insights for the interstitialcy diffusion mechanism. The algorithm along with the help of supporting visualizations and analysis gives convincing details and a new approach to quantifying diffusion jumps, jump-lengths, time between jumps and to identify interstitials from lattice atoms.

Post-processing interstitialcy diffusion from molecular dynamics simulations

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

Bhardwaj, U., E-mail: haptork@gmail.com; Bukkuru, S.; Warrier, M.

2016-01-15

An algorithm to rigorously trace the interstitialcy diffusion trajectory in crystals is developed. The algorithm incorporates unsupervised learning and graph optimization which obviate the need to input extra domain specific information depending on crystal or temperature of the simulation. The algorithm is implemented in a flexible framework as a post-processor to molecular dynamics (MD) simulations. We describe in detail the reduction of interstitialcy diffusion into known computational problems of unsupervised clustering and graph optimization. We also discuss the steps, computational efficiency and key components of the algorithm. Using the algorithm, thermal interstitialcy diffusion from low to near-melting point temperatures ismore » studied. We encapsulate the algorithms in a modular framework with functionality to calculate diffusion coefficients, migration energies and other trajectory properties. The study validates the algorithm by establishing the conformity of output parameters with experimental values and provides detailed insights for the interstitialcy diffusion mechanism. The algorithm along with the help of supporting visualizations and analysis gives convincing details and a new approach to quantifying diffusion jumps, jump-lengths, time between jumps and to identify interstitials from lattice atoms. -- Graphical abstract:.« less

The Shock and Vibration Bulletin. Part 1. Welcome, Keynote Address, Invited Papers, Pyrotechnic Shock, and Shock Testing and Analysis

DTIC Science & Technology

1983-05-01

DESIGN PROCEDURE M. S. IIAndal, University of Vermont, Burlington, VT Machinery Dynamics ANALYTICAL AND EXPERIMENTAL INVESTIGATION OF ROTATING BLADE... methodology to accurately predict rotor vibratory loads and has recently been initiated for detail design and bench test- coupled rotor/airframe vibrations... design methodology , a trating on the basic disciplines of aerodynamics and struc. coupled rotor/airframe vibration analysis has been developed. tural

Quantifying the spatio-temporal pattern of the ground impact of space weather events using dynamical networks formed from the SuperMAG database of ground based magnetometer stations.

NASA Astrophysics Data System (ADS)

Dods, Joe; Chapman, Sandra; Gjerloev, Jesper

2016-04-01

Quantitative understanding of the full spatial-temporal pattern of space weather is important in order to estimate the ground impact. Geomagnetic indices such as AE track the peak of a geomagnetic storm or substorm, but cannot capture the full spatial-temporal pattern. Observations by the ~100 ground based magnetometers in the northern hemisphere have the potential to capture the detailed evolution of a given space weather event. We present the first analysis of the full available set of ground based magnetometer observations of substorms using dynamical networks. SuperMAG offers a database containing ground station magnetometer data at a cadence of 1min from 100s stations situated across the globe. We use this data to form dynamic networks which capture spatial dynamics on timescales from the fast reconfiguration seen in the aurora, to that of the substorm cycle. Windowed linear cross-correlation between pairs of magnetometer time series along with a threshold is used to determine which stations are correlated and hence connected in the network. Variations in ground conductivity and differences in the response functions of magnetometers at individual stations are overcome by normalizing to long term averages of the cross-correlation. These results are tested against surrogate data in which phases have been randomised. The network is then a collection of connected points (ground stations); the structure of the network and its variation as a function of time quantify the detailed dynamical processes of the substorm. The network properties can be captured quantitatively in time dependent dimensionless network parameters and we will discuss their behaviour for examples of 'typical' substorms and storms. The network parameters provide a detailed benchmark to compare data with models of substorm dynamics, and can provide new insights on the similarities and differences between substorms and how they correlate with external driving and the internal state of the magnetosphere. We can also investigate the solar wind control of the magnetospheric-ionospheric convection system using dynamical networks. The dynamical networks are first interpolated onto a regular grid. Statistically averaged network responses are then formed for a variety of solar wind conditions, including investigating the network response to southward turnings. [1] Dods, J., S. C. Chapman, and J. W. Gjerloev (2015), Network analysis of geomagnetic substorms using the SuperMAG database of ground-based magnetometer stations, J. Geophys. Res. Space Physics, 120, 7774-7784, doi:10.1002/2015JA021456

Parameterization and Sensitivity Analysis of a Complex Simulation Model for Mosquito Population Dynamics, Dengue Transmission, and Their Control

PubMed Central

Ellis, Alicia M.; Garcia, Andres J.; Focks, Dana A.; Morrison, Amy C.; Scott, Thomas W.

2011-01-01

Models can be useful tools for understanding the dynamics and control of mosquito-borne disease. More detailed models may be more realistic and better suited for understanding local disease dynamics; however, evaluating model suitability, accuracy, and performance becomes increasingly difficult with greater model complexity. Sensitivity analysis is a technique that permits exploration of complex models by evaluating the sensitivity of the model to changes in parameters. Here, we present results of sensitivity analyses of two interrelated complex simulation models of mosquito population dynamics and dengue transmission. We found that dengue transmission may be influenced most by survival in each life stage of the mosquito, mosquito biting behavior, and duration of the infectious period in humans. The importance of these biological processes for vector-borne disease models and the overwhelming lack of knowledge about them make acquisition of relevant field data on these biological processes a top research priority. PMID:21813844

Time-resolved investigations of the non-thermal ablation process of graphite induced by femtosecond laser pulses

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

Kalupka, C., E-mail: christian.kalupka@llt.rwth-aachen.de; Finger, J.; Reininghaus, M.

2016-04-21

We report on the in-situ analysis of the ablation dynamics of the, so-called, laser induced non-thermal ablation process of graphite. A highly oriented pyrolytic graphite is excited by femtosecond laser pulses with fluences below the classic thermal ablation threshold. The ablation dynamics are investigated by axial pump-probe reflection measurements, transversal pump-probe shadowgraphy, and time-resolved transversal emission photography. The combination of the applied analysis methods allows for a continuous and detailed time-resolved observation of the non-thermal ablation dynamics from several picoseconds up to 180 ns. Formation of large, μm-sized particles takes place within the first 3.5 ns after irradiation. The following propagation ofmore » ablation products and the shock wave front are tracked by transversal shadowgraphy up to 16 ns. The comparison of ablation dynamics of different fluences by emission photography reveals thermal ablation products even for non-thermal fluences.« less

Dynamic Analysis and Control of Lightweight Manipulators with Flexible Parallel Link Mechanisms. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Lee, Jeh Won

1990-01-01

The objective is the theoretical analysis and the experimental verification of dynamics and control of a two link flexible manipulator with a flexible parallel link mechanism. Nonlinear equations of motion of the lightweight manipulator are derived by the Lagrangian method in symbolic form to better understand the structure of the dynamic model. The resulting equation of motion have a structure which is useful to reduce the number of terms calculated, to check correctness, or to extend the model to higher order. A manipulator with a flexible parallel link mechanism is a constrained dynamic system whose equations are sensitive to numerical integration error. This constrained system is solved using singular value decomposition of the constraint Jacobian matrix. Elastic motion is expressed by the assumed mode method. Mode shape functions of each link are chosen using the load interfaced component mode synthesis. The discrepancies between the analytical model and the experiment are explained using a simplified and a detailed finite element model.

Estimation of skeletal movement of human locomotion from body surface shapes using dynamic spatial video camera (DSVC) and 4D human model.

PubMed

Saito, Toshikuni; Suzuki, Naoki; Hattori, Asaki; Suzuki, Shigeyuki; Hayashibe, Mitsuhiro; Otake, Yoshito

2006-01-01

We have been developing a DSVC (Dynamic Spatial Video Camera) system to measure and observe human locomotion quantitatively and freely. A 4D (four-dimensional) human model with detailed skeletal structure, joint, muscle, and motor functionality has been built. The purpose of our research was to estimate skeletal movements from body surface shapes using DSVC and the 4D human model. For this purpose, we constructed a body surface model of a subject and resized the standard 4D human model to match with geometrical features of the subject's body surface model. Software that integrates the DSVC system and the 4D human model, and allows dynamic skeletal state analysis from body surface movement data was also developed. We practically applied the developed system in dynamic skeletal state analysis of a lower limb in motion and were able to visualize the motion using geometrically resized standard 4D human model.

Nonlinear dynamics analysis of the spur gear system for railway locomotive

NASA Astrophysics Data System (ADS)

Wang, Junguo; He, Guangyue; Zhang, Jie; Zhao, Yongxiang; Yao, Yuan

2017-02-01

Considering the factors such as the nonlinearity backlash, static transmission error and time-varying meshing stiffness, a three-degree-of-freedom torsional vibration model of spur gear transmission system for a typical locomotive is developed, in which the wheel/rail adhesion torque is considered as uncertain but bounded parameter. Meantime, the Ishikawa method is used for analysis and calculation of the time-varying mesh stiffness of the gear pair in meshing process. With the help of bifurcation diagrams, phase plane diagrams, Poincaré maps, time domain response diagrams and amplitude-frequency spectrums, the effects of the pinion speed and stiffness on the dynamic behavior of gear transmission system for locomotive are investigated in detail by using the numerical integration method. Numerical examples reveal various types of nonlinear phenomena and dynamic evolution mechanism involving one-period responses, multi-periodic responses, bifurcation and chaotic responses. Some research results present useful information to dynamic design and vibration control of the gear transmission system for railway locomotive.

NOAA/DOE CWP structural analysis package. [CWPFLY, CWPEXT, COTEC, and XOTEC codes

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

Pompa, J.A.; Lunz, D.F.

1979-09-01

The theoretical development and computer code user's manual for analysis of the Ocean Thermal Energy Conversion (OTEC) plant cold water pipe (CWP) are presented. The analysis of the CWP includes coupled platform/CWP loadngs and dynamic responses. This report with the exception of the Introduction and Appendix F was orginally published as Hydronautics, Inc., Technical Report No. 7825-2 (by Barr, Chang, and Thasanatorn) in November 1978. A detailed theoretical development of the equations describing the coupled platform/CWP system and preliminary validation efforts are described. The appendices encompass a complete user's manual, describing the inputs, outputs and operation of the four componentmore » programs, and detail changes and updates implemented since the original release of the code by Hydronautics. The code itself is available through NOAA's Office of Ocean Technology and Engineering Services.« less

Coupled vibration analysis of Maglev vehicle-guideway while standing still or moving at low speeds

NASA Astrophysics Data System (ADS)

Kim, Ki-Jung; Han, Jong-Boo; Han, Hyung-Suk; Yang, Seok-Jo

2015-04-01

Dynamic instability, that is, resonance, may occur on an electromagnetic suspension-type Maglev that runs over the elevated guideway, particularly at very low speeds, due to the flexibility of the guideway. An analysis of the dynamic interaction between the vehicle and guideway is required at the design stage to investigate such instability, setting slender guideway in design direction for reducing construction costs. In addition, it is essential to design an effective control algorithm to solve the problem of instability. In this article, a more detailed model for the dynamic interaction of vehicle/guideway is proposed. The proposed model incorporates a 3D full vehicle model based on virtual prototyping, flexible guideway by a modal superposition method and levitation electromagnets including feedback controller into an integrated model. By applying the proposed model to an urban Maglev vehicle newly developed for commercial application, an analysis of the instability phenomenon and an investigation of air gap control performance are carried out through a simulation.

A coarse-grained model for DNA origami.

PubMed

Reshetnikov, Roman V; Stolyarova, Anastasia V; Zalevsky, Arthur O; Panteleev, Dmitry Y; Pavlova, Galina V; Klinov, Dmitry V; Golovin, Andrey V; Protopopova, Anna D

2018-02-16

Modeling tools provide a valuable support for DNA origami design. However, current solutions have limited application for conformational analysis of the designs. In this work we present a tool for a thorough study of DNA origami structure and dynamics. The tool is based on a novel coarse-grained model dedicated to geometry optimization and conformational analysis of DNA origami. We explored the ability of the model to predict dynamic behavior, global shapes, and fine details of two single-layer systems designed in hexagonal and square lattices using atomic force microscopy, Förster resonance energy transfer spectroscopy, and all-atom molecular dynamic simulations for validation of the results. We also examined the performance of the model for multilayer systems by simulation of DNA origami with published cryo-electron microscopy and atomic force microscopy structures. A good agreement between the simulated and experimental data makes the model suitable for conformational analysis of DNA origami objects. The tool is available at http://vsb.fbb.msu.ru/cosm as a web-service and as a standalone version.

A coarse-grained model for DNA origami

PubMed Central

Stolyarova, Anastasia V; Zalevsky, Arthur O; Panteleev, Dmitry Y; Pavlova, Galina V; Klinov, Dmitry V; Golovin, Andrey V; Protopopova, Anna D

2018-01-01

Abstract Modeling tools provide a valuable support for DNA origami design. However, current solutions have limited application for conformational analysis of the designs. In this work we present a tool for a thorough study of DNA origami structure and dynamics. The tool is based on a novel coarse-grained model dedicated to geometry optimization and conformational analysis of DNA origami. We explored the ability of the model to predict dynamic behavior, global shapes, and fine details of two single-layer systems designed in hexagonal and square lattices using atomic force microscopy, Förster resonance energy transfer spectroscopy, and all-atom molecular dynamic simulations for validation of the results. We also examined the performance of the model for multilayer systems by simulation of DNA origami with published cryo-electron microscopy and atomic force microscopy structures. A good agreement between the simulated and experimental data makes the model suitable for conformational analysis of DNA origami objects. The tool is available at http://vsb.fbb.msu.ru/cosm as a web-service and as a standalone version. PMID:29267876

Modelling and Analysis of a New Piezoelectric Dynamic Balance Regulator

PubMed Central

Du, Zhe; Mei, Xue-Song; Xu, Mu-Xun

2012-01-01

In this paper, a new piezoelectric dynamic balance regulator, which can be used in motorised spindle systems, is presented. The dynamic balancing adjustment mechanism is driven by an in-plane bending vibration from an annular piezoelectric stator excited by a high-frequency sinusoidal input voltage. This device has different construction, characteristics and operating principles than a conventional balance regulator. In this work, a dynamic model of the regulator is first developed using a detailed analytical method. Thereafter, MATLAB is employed to numerically simulate the relations between the dominant parameters and the characteristics of the regulator based on thedynamic model. Finally, experimental measurements are used to certify the validity of the dynamic model. Consequently, the mathematical model presented and analysed in this paper can be used as a tool for optimising the design of a piezoelectric dynamic balance regulator during steady state operation. PMID:23202182

Dynamics of delay-coupled FitzHugh-Nagumo neural rings.

PubMed

Mao, Xiaochen; Sun, Jianqiao; Li, Shaofan

2018-01-01

This paper studies the dynamical behaviors of a pair of FitzHugh-Nagumo neural networks with bidirectional delayed couplings. It presents a detailed analysis of delay-independent and delay-dependent stabilities and the existence of bifurcated oscillations. Illustrative examples are performed to validate the analytical results and to discover interesting phenomena. It is shown that the network exhibits a variety of complicated activities, such as multiple stability switches, the coexistence of periodic and quasi-periodic oscillations, the coexistence of periodic and chaotic orbits, and the coexisting chaotic attractors.

Dynamics of delay-coupled FitzHugh-Nagumo neural rings

NASA Astrophysics Data System (ADS)

Mao, Xiaochen; Sun, Jianqiao; Li, Shaofan

2018-01-01

This paper studies the dynamical behaviors of a pair of FitzHugh-Nagumo neural networks with bidirectional delayed couplings. It presents a detailed analysis of delay-independent and delay-dependent stabilities and the existence of bifurcated oscillations. Illustrative examples are performed to validate the analytical results and to discover interesting phenomena. It is shown that the network exhibits a variety of complicated activities, such as multiple stability switches, the coexistence of periodic and quasi-periodic oscillations, the coexistence of periodic and chaotic orbits, and the coexisting chaotic attractors.

Analysis and test for space shuttle propellant dynamics

NASA Technical Reports Server (NTRS)

Berry, R. L.; Demchak, L. J.; Tegart, J. R.

1983-01-01

This report presents the results of a study to develop an analytical model capable of predicting the dynamic interaction forces on the Shuttle External Tank, due to large amplitude propellant slosh during RTLS separation. The report details low-g drop tower and KC-135 test programs that were conducted to investigate propellant reorientation during RTLS. In addition, the development of a nonlinear finite element slosh model (LAMPS2, two dimensional, and one LAMPS3, three dimensional) is presented. Correlation between the model and test data is presented as a verification of the modeling approach.

Above Saddle-Point Regions of Order in a Sea of Chaos in the Vibrational Dynamics of KCN.

PubMed

Párraga, H; Arranz, F J; Benito, R M; Borondo, F

2018-04-05

The dynamical characteristics of a region of regular vibrational motion in the sea of chaos above the saddle point corresponding to the linear C-N-K configuration is examined in detail. To explain the origin of this regularity, the associated phase space structures were characterized using suitably defined Poincaré surfaces of section, identifying the different resonances between the stretching and bending modes, as a function of excitation energy. The corresponding topology is elucidated by means of periodic orbit analysis.

Probing dynamical symmetry breaking using quantum-entangled photons

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

Li, Hao; Piryatinski, Andrei; Jerke, Jonathan

Here, we present an input/output analysis of photon-correlation experiments whereby a quantum mechanically entangled bi-photon state interacts with a material sample placed in one arm of a Hong–Ou–Mandel apparatus. We show that the output signal contains detailed information about subsequent entanglement with the microscopic quantum states in the sample. In particular, we apply the method to an ensemble of emitters interacting with a common photon mode within the open-system Dicke model. Our results indicate considerable dynamical information concerning spontaneous symmetry breaking can be revealed with such an experimental system.

Probing dynamical symmetry breaking using quantum-entangled photons

DOE PAGES

Li, Hao; Piryatinski, Andrei; Jerke, Jonathan; ...

2017-11-15

Here, we present an input/output analysis of photon-correlation experiments whereby a quantum mechanically entangled bi-photon state interacts with a material sample placed in one arm of a Hong–Ou–Mandel apparatus. We show that the output signal contains detailed information about subsequent entanglement with the microscopic quantum states in the sample. In particular, we apply the method to an ensemble of emitters interacting with a common photon mode within the open-system Dicke model. Our results indicate considerable dynamical information concerning spontaneous symmetry breaking can be revealed with such an experimental system.

A statistical physics viewpoint on the dynamics of the bouncing ball

NASA Astrophysics Data System (ADS)

Chastaing, Jean-Yonnel; Géminard, Jean-Christophe; Bertin, Eric

2016-06-01

We compute, in a statistical physics perspective, the dynamics of a bouncing ball maintained in a chaotic regime thanks to collisions with a plate experiencing an aperiodic vibration. We analyze in details the energy exchanges between the bead and the vibrating plate, and show that the coupling between the bead and the plate can be modeled in terms of both a dissipative process and an injection mechanism by an energy reservoir. An analysis of the injection statistics in terms of fluctuation relation is also provided.

Dynamics Explorer 1: Energetic Ion Composition Spectrometer (EICS)

NASA Technical Reports Server (NTRS)

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

1994-01-01

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

Application of Dynamic Analysis in Semi-Analytical Finite Element Method

PubMed Central

Oeser, Markus

2017-01-01

Analyses of dynamic responses are significantly important for the design, maintenance and rehabilitation of asphalt pavement. In order to evaluate the dynamic responses of asphalt pavement under moving loads, a specific computational program, SAFEM, was developed based on a semi-analytical finite element method. This method is three-dimensional and only requires a two-dimensional FE discretization by incorporating Fourier series in the third dimension. In this paper, the algorithm to apply the dynamic analysis to SAFEM was introduced in detail. Asphalt pavement models under moving loads were built in the SAFEM and commercial finite element software ABAQUS to verify the accuracy and efficiency of the SAFEM. The verification shows that the computational accuracy of SAFEM is high enough and its computational time is much shorter than ABAQUS. Moreover, experimental verification was carried out and the prediction derived from SAFEM is consistent with the measurement. Therefore, the SAFEM is feasible to reliably predict the dynamic response of asphalt pavement under moving loads, thus proving beneficial to road administration in assessing the pavement’s state. PMID:28867813

Global dynamics in a stoichiometric food chain model with two limiting nutrients.

PubMed

Chen, Ming; Fan, Meng; Kuang, Yang

2017-07-01

Ecological stoichiometry studies the balance of energy and multiple chemical elements in ecological interactions to establish how the nutrient content affect food-web dynamics and nutrient cycling in ecosystems. In this study, we formulate a food chain with two limiting nutrients in the form of a stoichiometric population model. A comprehensive global analysis of the rich dynamics of the targeted model is explored both analytically and numerically. Chaotic dynamic is observed in this simple stoichiometric food chain model and is compared with traditional model without stoichiometry. The detailed comparison reveals that stoichiometry can reduce the parameter space for chaotic dynamics. Our findings also show that decreasing producer production efficiency may have only a small effect on the consumer growth but a more profound impact on the top predator growth. Copyright © 2017 Elsevier Inc. All rights reserved.

Impact of the dynamical core on the direct simulation of tropical cyclones in a high-resolution global model

DOE PAGES

Reed, K. A.; Bacmeister, J. T.; Rosenbloom, N. A.; ...

2015-05-13

Our paper examines the impact of the dynamical core on the simulation of tropical cyclone (TC) frequency, distribution, and intensity. The dynamical core, the central fluid flow component of any general circulation model (GCM), is often overlooked in the analysis of a model's ability to simulate TCs compared to the impact of more commonly documented components (e.g., physical parameterizations). The Community Atmosphere Model version 5 is configured with multiple dynamics packages. This analysis demonstrates that the dynamical core has a significant impact on storm intensity and frequency, even in the presence of similar large-scale environments. In particular, the spectral elementmore » core produces stronger TCs and more hurricanes than the finite-volume core using very similar parameterization packages despite the latter having a slightly more favorable TC environment. Furthermore, these results suggest that more detailed investigations into the impact of the GCM dynamical core on TC climatology are needed to fully understand these uncertainties. Key Points The impact of the GCM dynamical core is often overlooked in TC assessments The CAM5 dynamical core has a significant impact on TC frequency and intensity A larger effort is needed to better understand this uncertainty« less

Nonlinear dynamics of solitary and optically injected two-element laser arrays with four different waveguide structures: a numerical study.

PubMed

Li, Nianqiang; Susanto, H; Cemlyn, B R; Henning, I D; Adams, M J

2018-02-19

We study the nonlinear dynamics of solitary and optically injected two-element laser arrays with a range of waveguide structures. The analysis is performed with a detailed direct numerical simulation, where high-resolution dynamic maps are generated to identify regions of dynamic instability in the parameter space of interest. Our combined one- and two-parameter bifurcation analysis uncovers globally diverse dynamical regimes (steady-state, oscillation, and chaos) in the solitary laser arrays, which are greatly influenced by static design waveguiding structures, the amplitude-phase coupling factor of the electric field, i.e. the linewidth-enhancement factor, as well as the control parameter, e.g. the pump rate. When external optical injection is introduced to one element of the arrays, we show that the whole system can be either injection-locked simultaneously or display rich, different dynamics outside the locking region. The effect of optical injection is to significantly modify the nature and the regions of nonlinear dynamics from those found in the solitary case. We also show similarities and differences (asymmetry) between the oscillation amplitude of the two elements of the array in specific well-defined regions, which hold for all the waveguiding structures considered. Our findings pave the way to a better understanding of dynamic instability in large arrays of lasers.

Particle-In-Cell simulations of electron beam microbunching instability in three dimensions

NASA Astrophysics Data System (ADS)

Huang, Chengkun; Zeng, Y.; Meyers, M. D.; Yi, S.; Albright, B. J.; Kwan, T. J. T.

2013-10-01

Microbunching instability due to Coherent Synchrotron Radiation (CSR) in a magnetic chicane is one of the major effects that can degrade the electron beam quality in an X-ray Free Electron Laser. Self-consistent simulation using the Particle-In-Cell (PIC) method for the CSR fields of the beam and their effects on beam dynamics have been elusive due to the excessive dispersion error on the grid. We have implemented a high-order finite-volume PIC scheme that models the propagation of the CSR fields accurately. This new scheme is characterized and optimized through a detailed dispersion analysis. The CSR fields from our improved PIC calculation are compared to the extended CSR numerical model based on the Lienard-Wiechert formula in 2D/3D. We also conduct beam dynamics simulation of the microbunching instability using our new PIC capability. Detailed self-consistent PIC simulations of the CSR fields and beam dynamics will be presented and discussed. Work supported by the U.S. Department of Energy through the LDRD program at Los Alamos National Laboratory.

Trade Studies of Space Launch Architectures using Modular Probabilistic Risk Analysis

NASA Technical Reports Server (NTRS)

Mathias, Donovan L.; Go, Susie

2006-01-01

A top-down risk assessment in the early phases of space exploration architecture development can provide understanding and intuition of the potential risks associated with new designs and technologies. In this approach, risk analysts draw from their past experience and the heritage of similar existing systems as a source for reliability data. This top-down approach captures the complex interactions of the risk driving parts of the integrated system without requiring detailed knowledge of the parts themselves, which is often unavailable in the early design stages. Traditional probabilistic risk analysis (PRA) technologies, however, suffer several drawbacks that limit their timely application to complex technology development programs. The most restrictive of these is a dependence on static planning scenarios, expressed through fault and event trees. Fault trees incorporating comprehensive mission scenarios are routinely constructed for complex space systems, and several commercial software products are available for evaluating fault statistics. These static representations cannot capture the dynamic behavior of system failures without substantial modification of the initial tree. Consequently, the development of dynamic models using fault tree analysis has been an active area of research in recent years. This paper discusses the implementation and demonstration of dynamic, modular scenario modeling for integration of subsystem fault evaluation modules using the Space Architecture Failure Evaluation (SAFE) tool. SAFE is a C++ code that was originally developed to support NASA s Space Launch Initiative. It provides a flexible framework for system architecture definition and trade studies. SAFE supports extensible modeling of dynamic, time-dependent risk drivers of the system and functions at the level of fidelity for which design and failure data exists. The approach is scalable, allowing inclusion of additional information as detailed data becomes available. The tool performs a Monte Carlo analysis to provide statistical estimates. Example results of an architecture system reliability study are summarized for an exploration system concept using heritage data from liquid-fueled expendable Saturn V/Apollo launch vehicles.

Cookbook asymptotics for spiral and scroll waves in excitable media.

PubMed

Margerit, Daniel; Barkley, Dwight

2002-09-01

Algebraic formulas predicting the frequencies and shapes of waves in a reaction-diffusion model of excitable media are presented in the form of four recipes. The formulas themselves are based on a detailed asymptotic analysis (published elsewhere) of the model equations at leading order and first order in the asymptotic parameter. The importance of the first order contribution is stressed throughout, beginning with a discussion of the Fife limit, Fife scaling, and Fife regime. Recipes are given for spiral waves and detailed comparisons are presented between the asymptotic predictions and the solutions of the full reaction-diffusion equations. Recipes for twisted scroll waves with straight filaments are given and again comparisons are shown. The connection between the asymptotic results and filament dynamics is discussed, and one of the previously unknown coefficients in the theory of filament dynamics is evaluated in terms of its asymptotic expansion. (c) 2002 American Institute of Physics.

Cookbook asymptotics for spiral and scroll waves in excitable media

NASA Astrophysics Data System (ADS)

Margerit, Daniel; Barkley, Dwight

2002-09-01

Algebraic formulas predicting the frequencies and shapes of waves in a reaction-diffusion model of excitable media are presented in the form of four recipes. The formulas themselves are based on a detailed asymptotic analysis (published elsewhere) of the model equations at leading order and first order in the asymptotic parameter. The importance of the first order contribution is stressed throughout, beginning with a discussion of the Fife limit, Fife scaling, and Fife regime. Recipes are given for spiral waves and detailed comparisons are presented between the asymptotic predictions and the solutions of the full reaction-diffusion equations. Recipes for twisted scroll waves with straight filaments are given and again comparisons are shown. The connection between the asymptotic results and filament dynamics is discussed, and one of the previously unknown coefficients in the theory of filament dynamics is evaluated in terms of its asymptotic expansion.

Infrastructure Analysis Tools: A Focus on Cash Flow Analysis (Presentation)

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

Melaina, M.; Penev, M.

2012-09-01

NREL has developed and maintains a variety of infrastructure analysis models for the U.S. Department of Energy. Business case analysis has recently been added to this tool set. This presentation focuses on cash flow analysis. Cash flows depend upon infrastructure costs, optimized spatially and temporally, and assumptions about financing and revenue. NREL has incorporated detailed metrics on financing and incentives into the models. Next steps in modeling include continuing to collect feedback on regional/local infrastructure development activities and 'roadmap' dynamics, and incorporating consumer preference assumptions on infrastructure to provide direct feedback between vehicles and station rollout.

Structure and dynamics of European sports science textual contents: Analysis of ECSS abstracts (1996-2014).

PubMed

Hristovski, Robert; Aceski, Aleksandar; Balague, Natalia; Seifert, Ludovic; Tufekcievski, Aleksandar; Cecilia, Aguirre

2017-02-01

The article discusses general structure and dynamics of the sports science research content as obtained from the analysis of 21998 European College of Sport Science abstracts belonging to 12 science topics. The structural analysis showed intertwined multidisciplinary and unifying tendencies structured along horizontal (scope) and vertical (level) axes. Methodological (instrumental and mode of inquiry) integrative tendencies are dominant. Theoretical integrative tendencies are much less detectable along both horizontal and vertical axes. The dynamic analysis of written abstracts text content over the 19 years reveals the contextualizing and guiding role of thematic skeletons of each sports science topic in forming more detailed contingent research ideas and the role of the latter in stabilizing and procreating the former. This circular causality between both hierarchical levels and functioning on separate characteristic time scales is crucial for understanding how stable research traditions self-maintain and self-procreate through innovative contingencies. The structure of sports science continuously rebuilds itself through use and re-use of contingent research ideas. The thematic skeleton ensures its identity and the contingent conceptual sets its flexibility and adaptability to different research or applicative problems.

The dynamics of information-driven coordination phenomena: A transfer entropy analysis

PubMed Central

Borge-Holthoefer, Javier; Perra, Nicola; Gonçalves, Bruno; González-Bailón, Sandra; Arenas, Alex; Moreno, Yamir; Vespignani, Alessandro

2016-01-01

Data from social media provide unprecedented opportunities to investigate the processes that govern the dynamics of collective social phenomena. We consider an information theoretical approach to define and measure the temporal and structural signatures typical of collective social events as they arise and gain prominence. We use the symbolic transfer entropy analysis of microblogging time series to extract directed networks of influence among geolocalized subunits in social systems. This methodology captures the emergence of system-level dynamics close to the onset of socially relevant collective phenomena. The framework is validated against a detailed empirical analysis of five case studies. In particular, we identify a change in the characteristic time scale of the information transfer that flags the onset of information-driven collective phenomena. Furthermore, our approach identifies an order-disorder transition in the directed network of influence between social subunits. In the absence of clear exogenous driving, social collective phenomena can be represented as endogenously driven structural transitions of the information transfer network. This study provides results that can help define models and predictive algorithms for the analysis of societal events based on open source data. PMID:27051875

The dynamics of information-driven coordination phenomena: A transfer entropy analysis.

PubMed

Borge-Holthoefer, Javier; Perra, Nicola; Gonçalves, Bruno; González-Bailón, Sandra; Arenas, Alex; Moreno, Yamir; Vespignani, Alessandro

2016-04-01

Data from social media provide unprecedented opportunities to investigate the processes that govern the dynamics of collective social phenomena. We consider an information theoretical approach to define and measure the temporal and structural signatures typical of collective social events as they arise and gain prominence. We use the symbolic transfer entropy analysis of microblogging time series to extract directed networks of influence among geolocalized subunits in social systems. This methodology captures the emergence of system-level dynamics close to the onset of socially relevant collective phenomena. The framework is validated against a detailed empirical analysis of five case studies. In particular, we identify a change in the characteristic time scale of the information transfer that flags the onset of information-driven collective phenomena. Furthermore, our approach identifies an order-disorder transition in the directed network of influence between social subunits. In the absence of clear exogenous driving, social collective phenomena can be represented as endogenously driven structural transitions of the information transfer network. This study provides results that can help define models and predictive algorithms for the analysis of societal events based on open source data.

Analysis of Video-Based Microscopic Particle Trajectories Using Kalman Filtering

PubMed Central

Wu, Pei-Hsun; Agarwal, Ashutosh; Hess, Henry; Khargonekar, Pramod P.; Tseng, Yiider

2010-01-01

Abstract The fidelity of the trajectories obtained from video-based particle tracking determines the success of a variety of biophysical techniques, including in situ single cell particle tracking and in vitro motility assays. However, the image acquisition process is complicated by system noise, which causes positioning error in the trajectories derived from image analysis. Here, we explore the possibility of reducing the positioning error by the application of a Kalman filter, a powerful algorithm to estimate the state of a linear dynamic system from noisy measurements. We show that the optimal Kalman filter parameters can be determined in an appropriate experimental setting, and that the Kalman filter can markedly reduce the positioning error while retaining the intrinsic fluctuations of the dynamic process. We believe the Kalman filter can potentially serve as a powerful tool to infer a trajectory of ultra-high fidelity from noisy images, revealing the details of dynamic cellular processes. PMID:20550894

Design and Performance Evaluation of an Electro-Hydraulic Camless Engine Valve Actuator for Future Vehicle Applications

PubMed Central

Nam, Kanghyun; Cho, Kwanghyun; Park, Sang-Shin; Choi, Seibum B.

2017-01-01

This paper details the new design and dynamic simulation of an electro-hydraulic camless engine valve actuator (EH-CEVA) and experimental verification with lift position sensors. In general, camless engine technologies have been known for improving fuel efficiency, enhancing power output, and reducing emissions of internal combustion engines. Electro-hydraulic valve actuators are used to eliminate the camshaft of an existing internal combustion engines and used to control the valve timing and valve duration independently. This paper presents novel electro-hydraulic actuator design, dynamic simulations, and analysis based on design specifications required to satisfy the operation performances. An EH-CEVA has initially been designed and modeled by means of a powerful hydraulic simulation software, AMESim, which is useful for the dynamic simulations and analysis of hydraulic systems. Fundamental functions and performances of the EH-CEVA have been validated through comparisons with experimental results obtained in a prototype test bench. PMID:29258270

Design and Performance Evaluation of an Electro-Hydraulic Camless Engine Valve Actuator for Future Vehicle Applications.

PubMed

Nam, Kanghyun; Cho, Kwanghyun; Park, Sang-Shin; Choi, Seibum B

2017-12-18

This paper details the new design and dynamic simulation of an electro-hydraulic camless engine valve actuator (EH-CEVA) and experimental verification with lift position sensors. In general, camless engine technologies have been known for improving fuel efficiency, enhancing power output, and reducing emissions of internal combustion engines. Electro-hydraulic valve actuators are used to eliminate the camshaft of an existing internal combustion engines and used to control the valve timing and valve duration independently. This paper presents novel electro-hydraulic actuator design, dynamic simulations, and analysis based on design specifications required to satisfy the operation performances. An EH-CEVA has initially been designed and modeled by means of a powerful hydraulic simulation software, AMESim, which is useful for the dynamic simulations and analysis of hydraulic systems. Fundamental functions and performances of the EH-CEVA have been validated through comparisons with experimental results obtained in a prototype test bench.

Understanding the connection between conformational changes of peptides and equilibrium thermal fluctuations.

PubMed

Soler, Miguel A; Zúñiga, José; Requena, Alberto; Bastida, Adolfo

2017-02-01

Despite the increasing evidence that conformational transitions in peptides and proteins are driven by specific vibrational energy pathways along the molecule, the current experimental techniques of analysis do as yet not allow to study these biophysical processes in terms of anisotropic energy flows. Computational methods offer a complementary approach to obtain a more detailed understanding of the vibrational and conformational dynamics of these systems. Accordingly, in this work we investigate jointly the vibrational energy distribution and the conformational dynamics of trialanine peptide in water solution at room temperature by applying the Instantaneous Normal Mode analysis to the results derived from equilibrium molecular dynamics simulations. It is shown that conformational changes in trialanine are triggered by the vibrational energy accumulated in the low-frequency modes of the molecule, and that excitation is caused exclusively by thermal fluctuations of the solute-solvent system, thus excluding the possibility of an intramolecular vibrational energy redistribution process.

T-cell epitope prediction and immune complex simulation using molecular dynamics: state of the art and persisting challenges

PubMed Central

2010-01-01

Atomistic Molecular Dynamics provides powerful and flexible tools for the prediction and analysis of molecular and macromolecular systems. Specifically, it provides a means by which we can measure theoretically that which cannot be measured experimentally: the dynamic time-evolution of complex systems comprising atoms and molecules. It is particularly suitable for the simulation and analysis of the otherwise inaccessible details of MHC-peptide interaction and, on a larger scale, the simulation of the immune synapse. Progress has been relatively tentative yet the emergence of truly high-performance computing and the development of coarse-grained simulation now offers us the hope of accurately predicting thermodynamic parameters and of simulating not merely a handful of proteins but larger, longer simulations comprising thousands of protein molecules and the cellular scale structures they form. We exemplify this within the context of immunoinformatics. PMID:21067546

Fixed gain and adaptive techniques for rotorcraft vibration control

NASA Technical Reports Server (NTRS)

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

1985-01-01

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

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

Saha, Debajyoti, E-mail: debajyoti.saha@saha.ac.in; Kumar Shaw, Pankaj; Janaki, M. S.

Order-chaos-order was observed in the relaxation oscillations of a glow discharge plasma with variation in the discharge voltage. The first transition exhibits an inverse homoclinic bifurcation followed by a homoclinic bifurcation in the second transition. For the two regimes of observations, a detailed analysis of correlation dimension, Lyapunov exponent, and Renyi entropy was carried out to explore the complex dynamics of the system.

Tracing Ideologies of Learning in Group Talk and Their Impediments to Collaboration

ERIC Educational Resources Information Center

Anderson, Kate T.; Weninger, Csilla

2012-01-01

In this paper we examine the complex relationship between dynamics of group talk and students' ideologies of learning. Through an interactional analysis and thematic coding of group talk, this study details barriers to collaboration in a digital storytelling workshop with primary-aged youth in Singapore. Drawing on 25 h of video-recorded data, we…

Brought-Along Identities and the Dynamics of Ideology: Accomplishing Bivalent Stances in a Multilingual Interaction

ERIC Educational Resources Information Center

Williams, Ashley M.

2008-01-01

This paper examines how the interconnected aspects of the stance triangle (Du Bois 2007) allow speakers to tap into multiple ideological layers as they take a stance and reveal intra-ethnic group tensions. Using a detailed interaction analysis of a Chinese American family's multilingual interaction, the paper explores how such ideological dynamics…

Analysis of oscillatory pressure data including dynamic stall effects

NASA Technical Reports Server (NTRS)

Carta, F. O.

1974-01-01

The dynamic stall phenomenon was examined in detail by analyzing an existing set of unsteady pressure data obtained on an airfoil oscillating in pitch. Most of the data were for sinusoidal oscillations which penetrated the stall region in varying degrees, and here the effort was concentrated on the chordwise propagation of pressure waves associated with the dynamic stall. It was found that this phenomenon could be quantified in terms of a pressure wave velocity which is consistently much less than free-stream velocity, and which varies directly with frequency. It was also found that even when the stall region has been deeply penetrated and a substantial dynamic stall occurs during the downstroke, stall recovery near minimum incidence will occur, followed by a potential flow behavior up to stall inception.

Development of an improved MATLAB GUI for the prediction of coefficients of restitution, and integration into LMS.

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

Baca, Renee Nicole; Congdon, Michael L.; Brake, Matthew Robert

In 2012, a Matlab GUI for the prediction of the coefficient of restitution was developed in order to enable the formulation of more accurate Finite Element Analysis (FEA) models of components. This report details the development of a new Rebound Dynamics GUI, and how it differs from the previously developed program. The new GUI includes several new features, such as source and citation documentation for the material database, as well as a multiple materials impact modeler for use with LMS Virtual.Lab Motion (LMS VLM), and a rigid body dynamics modeling software. The Rebound Dynamics GUI has been designed to workmore » with LMS VLM to enable straightforward incorporation of velocity-dependent coefficients of restitution in rigid body dynamics simulations.« less

Dynamic stall reattachment revisited

NASA Astrophysics Data System (ADS)

Mulleners, Karen

2017-11-01

Dynamic stall on pitching airfoils is an important practical problem that affects for example rotary wing aircraft and wind turbines. It also comprises a number of interesting fundamental fluid dynamical phenomena such as unsteady flow separation, vortex formation and shedding, unsteady flow reattachment, and dynamic hysteresis. Following up on past efforts focussing on the separation development, we now revisited the flow reattachment or stall recovery process. Experimental time-resolved velocity field and surface pressure data for a two-dimensional sinusoidally pitching airfoil with various reduced frequencies was analysed using different Eulerian, Lagrangian, and modal decomposition methods. This complementary analysis resulted in the identification of the chain of events that play a role in the flow reattachment process, a detailed description of that role, and characterisation of the individual events by the governing time-scales and flow features.

Optical Traps to Study Properties of Molecular Motors

PubMed Central

Spudich, James A.; Rice, Sarah E.; Rock, Ronald S.; Purcell, Thomas J.; Warrick, Hans M.

2016-01-01

In vitro motility assays enabled the analysis of coupling between ATP hydrolysis and movement of myosin along actin filaments or kinesin along microtubules. Single-molecule assays using laser trapping have been used to obtain more detailed information about kinesins, myosins, and processive DNA enzymes. The combination of in vitro motility assays with laser-trap measurements has revealed detailed dynamic structural changes associated with the ATPase cycle. This article describes the use of optical traps to study processive and nonprocessive molecular motor proteins, focusing on the design of the instrument and the assays to characterize motility. PMID:22046048

Development of an integrated thermal-hydraulics capability incorporating RELAP5 and PANTHER neutronics code

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

Page, R.; Jones, J.R.

1997-07-01

Ensuring that safety analysis needs are met in the future is likely to lead to the development of new codes and the further development of existing codes. It is therefore advantageous to define standards for data interfaces and to develop software interfacing techniques which can readily accommodate changes when they are made. Defining interface standards is beneficial but is necessarily restricted in application if future requirements are not known in detail. Code interfacing methods are of particular relevance with the move towards automatic grid frequency response operation where the integration of plant dynamic, core follow and fault study calculation toolsmore » is considered advantageous. This paper describes the background and features of a new code TALINK (Transient Analysis code LINKage program) used to provide a flexible interface to link the RELAP5 thermal hydraulics code with the PANTHER neutron kinetics and the SIBDYM whole plant dynamic modelling codes used by Nuclear Electric. The complete package enables the codes to be executed in parallel and provides an integrated whole plant thermal-hydraulics and neutron kinetics model. In addition the paper discusses the capabilities and pedigree of the component codes used to form the integrated transient analysis package and the details of the calculation of a postulated Sizewell `B` Loss of offsite power fault transient.« less

Dynamic Positioning Capability Analysis for Marine Vessels Based on A DPCap Polar Plot Program

NASA Astrophysics Data System (ADS)

Wang, Lei; Yang, Jian-min; Xu, Sheng-wen

2018-03-01

Dynamic positioning capability (DPCap) analysis is essential in the selection of thrusters, in their configuration, and during preliminary investigation of the positioning ability of a newly designed vessel dynamic positioning system. DPCap analysis can help determine the maximum environmental forces, in which the DP system can counteract in given headings. The accuracy of the DPCap analysis is determined by the precise estimation of the environmental forces as well as the effectiveness of the thrust allocation logic. This paper is dedicated to developing an effective and efficient software program for the DPCap analysis for marine vessels. Estimation of the environmental forces can be obtained by model tests, hydrodynamic computation and empirical formulas. A quadratic programming method is adopted to allocate the total thrust on every thruster of the vessel. A detailed description of the thrust allocation logic of the software program is given. The effectiveness of the new program DPCap Polar Plot (DPCPP) was validated by a DPCap analysis for a supply vessel. The present study indicates that the developed program can be used in the DPCap analysis for marine vessels. Moreover, DPCap analysis considering the thruster failure mode might give guidance to the designers of vessels whose thrusters need to be safer.

Preliminary analysis of the PreFlexMS molten salt once-through steam generator dynamics and control strategy

NASA Astrophysics Data System (ADS)

Trabucchi, Stefano; Casella, Francesco; Maioli, Tommaso; Elsido, Cristina; Franzini, Davide; Ramond, Mathieu

2017-06-01

Concentrated Solar Power plants (CSP) coupled with thermal storage have the potential to guarantee both flexible and continuous energy production, thus being competitive with conventional fossil fuel and hydro power plants, in terms of dispatchability and provision of ancillary services. Hence, the plant equipment and control design have to be focused on flexible operation on one hand, and on plant safety concerning the molten salt freezing on the other hand. The PreFlexMS European project aims to introduce a molten salt Once-Through Steam Generator (OTSG) within a Rankine cycle based power unit, a technology that has greater flexibility potential if compared to steam drum boilers, currently used in CSP plants. The dynamic modelling and simulation from the early design stages is, thus, of paramount importance, to assess the plant dynamic behavior and controllability, and to predict the achievable closed-loop dynamic performance, potentially saving money and time during the detailed design, construction and commissioning phases. The present paper reports the main results of the analysis carried out during the first part of the project, regarding the system analysis and control design. In particular, two different control systems have been studied and tested with the plant dynamic model: a decentralized control strategy based on PI controllers and a Linear Model Predictive Control (LMPC).

Sample path analysis of contribution and reward in cooperative groups.

PubMed

Toyoizumi, Hiroshi

2009-02-07

Explaining cooperative behavior is one of the major challenges in both biology and human society. The individual reward in cooperative group depends on how we share the rewards in the group. Thus, the group size dynamics in a cooperative group and reward-allocation rule seem essential to evaluate the emergence of cooperative groups. We apply a sample path-based analysis called an extension of Little's formula to general cooperative group. We show that the expected reward is insensitive to the specific reward-allocation rule and probabilistic structure of group dynamics, and the simple productivity condition guarantees the expected reward to be larger than the average contribution. As an example, we take social queues to see the insensitivity result in detail.

5D imaging via light sheet microscopy reveals cell dynamics during the eye-antenna disc primordium formation in Drosophila

NASA Astrophysics Data System (ADS)

Huang, Yu Shan; Ku, Hui Yu; Tsai, Yun Chi; Chang, Chin Hao; Pao, Sih Hua; Sun, Y. Henry; Chiou, Arthur

2017-03-01

5D images of engrailed (en) and eye gone (eyg) gene expressions during the course of the eye-antenna disc primordium (EADP) formation of Drosophila embryos from embryonic stages 13 through 16 were recorded via light sheet microscopy and analyzed to reveal the cell dynamics involved in the development of the EADP. Detailed analysis of the time-lapsed images revealed the process of EADP formation and its invagination trajectory, which involved an inversion of the EADP anterior-posterior axis relative to the body. Furthermore, analysis of the en-expression pattern in the EADP provided strong evidence that the EADP is derived from one of the en-expressing head segments.

Experimental analysis of bruises in human volunteers using radiometric depth profiling and diffuse reflectance spectroscopy

NASA Astrophysics Data System (ADS)

Vidovič, Luka; Milanič, Matija; Majaron, Boris

2015-07-01

We combine pulsed photothermal radiometry (PPTR) depth profiling with diffuse reflectance spectroscopy (DRS) measurements for a comprehensive analysis of bruise evolution in vivo. While PPTR enables extraction of detailed depth distribution and concentration profiles of selected absorbers (e.g. melanin, hemoglobin), DRS provides information in a wide range of visible wavelengths and thus offers an additional insight into dynamics of the hemoglobin degradation products. Combining the two approaches enables us to quantitatively characterize bruise evolution dynamics. Our results indicate temporal variations of the bruise evolution parameters in the course of bruise self-healing process. The obtained parameter values and trends represent a basis for a future development of an objective technique for bruise age determination.

Physicians and Drug Representatives: Exploring the Dynamics of the Relationship

PubMed Central

Chimonas, Susan; Brennan, Troyen A.

2007-01-01

Background Interactions between physicians and drug representatives are common, even though research shows that physicians understand the conflict of interest between marketing and patient care. Little is known about how physicians resolve this contradiction. Objective To determine physicians’ techniques for managing cognitive inconsistencies within their relationships with drug representatives. Design, Setting, and Participants Six focus groups were conducted with 32 academic and community physicians in San Diego, Atlanta, and Chicago. Measurements Qualitative analysis of focus group transcripts to determine physicians’ attitudes towards conflict of interest and detailing, their beliefs about the quality of information conveyed and the impact on prescribing, and their resolution of the conflict between detailers’ desire to sell product and patient care. Results Physicians understood the concept of conflict of interest and applied it to relationships with detailers. However, they maintained favorable views of physician–detailer exchanges. Holding these mutually contradictory attitudes, physicians were in a position of cognitive dissonance. To resolve the dissonance, they used a variety of denials and rationalizations: They avoided thinking about the conflict of interest, they disagreed that industry relationships affected physician behavior, they denied responsibility for the problem, they enumerated techniques for remaining impartial, and they reasoned that meetings with detailers were educational and benefited patients. Conclusions Although physicians understood the concept of conflict of interest, relationships with detailers set up psychological dynamics that influenced their reasoning. Our findings suggest that voluntary guidelines, like those proposed by most major medical societies, are inadequate. It may be that only the prohibition of physician–detailer interactions will be effective. PMID:17356984

Analysis on the dynamic error for optoelectronic scanning coordinate measurement network

NASA Astrophysics Data System (ADS)

Shi, Shendong; Yang, Linghui; Lin, Jiarui; Guo, Siyang; Ren, Yongjie

2018-01-01

Large-scale dynamic three-dimension coordinate measurement technique is eagerly demanded in equipment manufacturing. Noted for advantages of high accuracy, scale expandability and multitask parallel measurement, optoelectronic scanning measurement network has got close attention. It is widely used in large components jointing, spacecraft rendezvous and docking simulation, digital shipbuilding and automated guided vehicle navigation. At present, most research about optoelectronic scanning measurement network is focused on static measurement capacity and research about dynamic accuracy is insufficient. Limited by the measurement principle, the dynamic error is non-negligible and restricts the application. The workshop measurement and positioning system is a representative which can realize dynamic measurement function in theory. In this paper we conduct deep research on dynamic error resources and divide them two parts: phase error and synchronization error. Dynamic error model is constructed. Based on the theory above, simulation about dynamic error is carried out. Dynamic error is quantized and the rule of volatility and periodicity has been found. Dynamic error characteristics are shown in detail. The research result lays foundation for further accuracy improvement.

Performance Analysis of Multilevel Parallel Applications on Shared Memory Architectures

NASA Technical Reports Server (NTRS)

Jost, Gabriele; Jin, Haoqiang; Labarta, Jesus; Gimenez, Judit; Caubet, Jordi; Biegel, Bryan A. (Technical Monitor)

2002-01-01

In this paper we describe how to apply powerful performance analysis techniques to understand the behavior of multilevel parallel applications. We use the Paraver/OMPItrace performance analysis system for our study. This system consists of two major components: The OMPItrace dynamic instrumentation mechanism, which allows the tracing of processes and threads and the Paraver graphical user interface for inspection and analyses of the generated traces. We describe how to use the system to conduct a detailed comparative study of a benchmark code implemented in five different programming paradigms applicable for shared memory

Verifying detailed fluctuation relations for discrete feedback-controlled quantum dynamics

NASA Astrophysics Data System (ADS)

Camati, Patrice A.; Serra, Roberto M.

2018-04-01

Discrete quantum feedback control consists of a managed dynamics according to the information acquired by a previous measurement. Energy fluctuations along such dynamics satisfy generalized fluctuation relations, which are useful tools to study the thermodynamics of systems far away from equilibrium. Due to the practical challenge to assess energy fluctuations in the quantum scenario, the experimental verification of detailed fluctuation relations in the presence of feedback control remains elusive. We present a feasible method to experimentally verify detailed fluctuation relations for discrete feedback control quantum dynamics. Two detailed fluctuation relations are developed and employed. The method is based on a quantum interferometric strategy that allows the verification of fluctuation relations in the presence of feedback control. An analytical example to illustrate the applicability of the method is discussed. The comprehensive technique introduced here can be experimentally implemented at a microscale with the current technology in a variety of experimental platforms.

Dynamics of temporally localized states in passively mode-locked semiconductor lasers

NASA Astrophysics Data System (ADS)

Schelte, C.; Javaloyes, J.; Gurevich, S. V.

2018-05-01

We study the emergence and the stability of temporally localized structures in the output of a semiconductor laser passively mode locked by a saturable absorber in the long-cavity regime. For large yet realistic values of the linewidth enhancement factor, we disclose the existence of secondary dynamical instabilities where the pulses develop regular and subsequent irregular temporal oscillations. By a detailed bifurcation analysis we show that additional solution branches that consist of multipulse (molecules) solutions exist. We demonstrate that the various solution curves for the single and multipeak pulses can splice and intersect each other via transcritical bifurcations, leading to a complex web of solutions. Our analysis is based on a generic model of mode locking that consists of a time-delayed dynamical system, but also on a much more numerically efficient, yet approximate, partial differential equation. We compare the results of the bifurcation analysis of both models in order to assess up to which point the two approaches are equivalent. We conclude our analysis by the study of the influence of group velocity dispersion, which is only possible in the framework of the partial differential equation model, and we show that it may have a profound impact on the dynamics of the localized states.

Combining short- and long-range fluorescence reporters with simulations to explore the intramolecular dynamics of an intrinsically disordered protein.

PubMed

Zosel, Franziska; Haenni, Dominik; Soranno, Andrea; Nettels, Daniel; Schuler, Benjamin

2017-10-21

Intrinsically disordered proteins (IDPs) are increasingly recognized as a class of molecules that can exert essential biological functions even in the absence of a well-defined three-dimensional structure. Understanding the conformational distributions and dynamics of these highly flexible proteins is thus essential for explaining the molecular mechanisms underlying their function. Single-molecule fluorescence spectroscopy in combination with Förster resonance energy transfer (FRET) is a powerful tool for probing intramolecular distances and the rapid long-range distance dynamics in IDPs. To complement the information from FRET, we combine it with photoinduced electron transfer (PET) quenching to monitor local loop-closure kinetics at the same time and in the same molecule. Here we employed this combination to investigate the intrinsically disordered N-terminal domain of HIV-1 integrase. The results show that both long-range dynamics and loop closure kinetics on the sub-microsecond time scale can be obtained reliably from a single set of measurements by the analysis with a comprehensive model of the underlying photon statistics including both FRET and PET. A more detailed molecular interpretation of the results is enabled by direct comparison with a recent extensive atomistic molecular dynamics simulation of integrase. The simulations are in good agreement with experiment and can explain the deviation from simple models of chain dynamics by the formation of persistent local secondary structure. The results illustrate the power of a close combination of single-molecule spectroscopy and simulations for advancing our understanding of the dynamics and detailed mechanisms in unfolded and intrinsically disordered proteins.

Combining short- and long-range fluorescence reporters with simulations to explore the intramolecular dynamics of an intrinsically disordered protein

NASA Astrophysics Data System (ADS)

Zosel, Franziska; Haenni, Dominik; Soranno, Andrea; Nettels, Daniel; Schuler, Benjamin

2017-10-01

Intrinsically disordered proteins (IDPs) are increasingly recognized as a class of molecules that can exert essential biological functions even in the absence of a well-defined three-dimensional structure. Understanding the conformational distributions and dynamics of these highly flexible proteins is thus essential for explaining the molecular mechanisms underlying their function. Single-molecule fluorescence spectroscopy in combination with Förster resonance energy transfer (FRET) is a powerful tool for probing intramolecular distances and the rapid long-range distance dynamics in IDPs. To complement the information from FRET, we combine it with photoinduced electron transfer (PET) quenching to monitor local loop-closure kinetics at the same time and in the same molecule. Here we employed this combination to investigate the intrinsically disordered N-terminal domain of HIV-1 integrase. The results show that both long-range dynamics and loop closure kinetics on the sub-microsecond time scale can be obtained reliably from a single set of measurements by the analysis with a comprehensive model of the underlying photon statistics including both FRET and PET. A more detailed molecular interpretation of the results is enabled by direct comparison with a recent extensive atomistic molecular dynamics simulation of integrase. The simulations are in good agreement with experiment and can explain the deviation from simple models of chain dynamics by the formation of persistent local secondary structure. The results illustrate the power of a close combination of single-molecule spectroscopy and simulations for advancing our understanding of the dynamics and detailed mechanisms in unfolded and intrinsically disordered proteins.

Solution NMR views of dynamical ordering of biomacromolecules.

PubMed

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

2018-02-01

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

Identification of Time-Varying Pilot Control Behavior in Multi-Axis Control Tasks

NASA Technical Reports Server (NTRS)

Zaal, Peter M. T.; Sweet, Barbara T.

2012-01-01

Recent developments in fly-by-wire control architectures for rotorcraft have introduced new interest in the identification of time-varying pilot control behavior in multi-axis control tasks. In this paper a maximum likelihood estimation method is used to estimate the parameters of a pilot model with time-dependent sigmoid functions to characterize time-varying human control behavior. An experiment was performed by 9 general aviation pilots who had to perform a simultaneous roll and pitch control task with time-varying aircraft dynamics. In 8 different conditions, the axis containing the time-varying dynamics and the growth factor of the dynamics were varied, allowing for an analysis of the performance of the estimation method when estimating time-dependent parameter functions. In addition, a detailed analysis of pilots adaptation to the time-varying aircraft dynamics in both the roll and pitch axes could be performed. Pilot control behavior in both axes was significantly affected by the time-varying aircraft dynamics in roll and pitch, and by the growth factor. The main effect was found in the axis that contained the time-varying dynamics. However, pilot control behavior also changed over time in the axis not containing the time-varying aircraft dynamics. This indicates that some cross coupling exists in the perception and control processes between the roll and pitch axes.

Geometric analysis characterizes molecular rigidity in generic and non-generic protein configurations

PubMed Central

Budday, Dominik; Leyendecker, Sigrid; van den Bedem, Henry

2015-01-01

Proteins operate and interact with partners by dynamically exchanging between functional substates of a conformational ensemble on a rugged free energy landscape. Understanding how these substates are linked by coordinated, collective motions requires exploring a high-dimensional space, which remains a tremendous challenge. While molecular dynamics simulations can provide atomically detailed insight into the dynamics, computational demands to adequately sample conformational ensembles of large biomolecules and their complexes often require tremendous resources. Kinematic models can provide high-level insights into conformational ensembles and molecular rigidity beyond the reach of molecular dynamics by reducing the dimensionality of the search space. Here, we model a protein as a kinematic linkage and present a new geometric method to characterize molecular rigidity from the constraint manifold Q and its tangent space Q at the current configuration q. In contrast to methods based on combinatorial constraint counting, our method is valid for both generic and non-generic, e.g., singular configurations. Importantly, our geometric approach provides an explicit basis for collective motions along floppy modes, resulting in an efficient procedure to probe conformational space. An atomically detailed structural characterization of coordinated, collective motions would allow us to engineer or allosterically modulate biomolecules by selectively stabilizing conformations that enhance or inhibit function with broad implications for human health. PMID:26213417

Geometric analysis characterizes molecular rigidity in generic and non-generic protein configurations

NASA Astrophysics Data System (ADS)

Budday, Dominik; Leyendecker, Sigrid; van den Bedem, Henry

2015-10-01

Proteins operate and interact with partners by dynamically exchanging between functional substates of a conformational ensemble on a rugged free energy landscape. Understanding how these substates are linked by coordinated, collective motions requires exploring a high-dimensional space, which remains a tremendous challenge. While molecular dynamics simulations can provide atomically detailed insight into the dynamics, computational demands to adequately sample conformational ensembles of large biomolecules and their complexes often require tremendous resources. Kinematic models can provide high-level insights into conformational ensembles and molecular rigidity beyond the reach of molecular dynamics by reducing the dimensionality of the search space. Here, we model a protein as a kinematic linkage and present a new geometric method to characterize molecular rigidity from the constraint manifold Q and its tangent space Tq Q at the current configuration q. In contrast to methods based on combinatorial constraint counting, our method is valid for both generic and non-generic, e.g., singular configurations. Importantly, our geometric approach provides an explicit basis for collective motions along floppy modes, resulting in an efficient procedure to probe conformational space. An atomically detailed structural characterization of coordinated, collective motions would allow us to engineer or allosterically modulate biomolecules by selectively stabilizing conformations that enhance or inhibit function with broad implications for human health.

Universality classes of fluctuation dynamics in hierarchical complex systems

NASA Astrophysics Data System (ADS)

Macêdo, A. M. S.; González, Iván R. Roa; Salazar, D. S. P.; Vasconcelos, G. L.

2017-03-01

A unified approach is proposed to describe the statistics of the short-time dynamics of multiscale complex systems. The probability density function of the relevant time series (signal) is represented as a statistical superposition of a large time-scale distribution weighted by the distribution of certain internal variables that characterize the slowly changing background. The dynamics of the background is formulated as a hierarchical stochastic model whose form is derived from simple physical constraints, which in turn restrict the dynamics to only two possible classes. The probability distributions of both the signal and the background have simple representations in terms of Meijer G functions. The two universality classes for the background dynamics manifest themselves in the signal distribution as two types of tails: power law and stretched exponential, respectively. A detailed analysis of empirical data from classical turbulence and financial markets shows excellent agreement with the theory.

Design optimization of a prescribed vibration system using conjoint value analysis

NASA Astrophysics Data System (ADS)

Malinga, Bongani; Buckner, Gregory D.

2016-12-01

This article details a novel design optimization strategy for a prescribed vibration system (PVS) used to mechanically filter solids from fluids in oil and gas drilling operations. A dynamic model of the PVS is developed, and the effects of disturbance torques are detailed. This model is used to predict the effects of design parameters on system performance and efficiency, as quantified by system attributes. Conjoint value analysis, a statistical technique commonly used in marketing science, is utilized to incorporate designer preferences. This approach effectively quantifies and optimizes preference-based trade-offs in the design process. The effects of designer preferences on system performance and efficiency are simulated. This novel optimization strategy yields improvements in all system attributes across all simulated vibration profiles, and is applicable to other industrial electromechanical systems.

Analysis of wind-resistant and stability for cable tower in cable-stayed bridge with four towers

NASA Astrophysics Data System (ADS)

Meng, Yangjun; Li, Can

2017-06-01

Wind speed time history simulation methods have been introduced first, especially the harmonic synthesis method introduced in detail. Second, taking Chishi bridge for example, choosing the particular sections, and combined with the design wind speed, three-component coefficient simulate analysis between -4°and 4°has been carry out with the Fluent software. The results show that drag coefficient reaches maximum when the attack Angle is 1°. According to measured wind speed samples,time history curves of wind speed at bridge deck and tower roof have been obtained,and wind-resistant time history analysis for No.5 tower has been carry out. Their results show that the dynamic coefficients are different with different calculation standard, especially transverse bending moment, pulsating crosswind load does not show a dynamic amplification effect.Under pulsating wind loads at bridge deck or tower roof, the maximum displacement at the top of the tower and the maximum stress at the bottom of the tower are within the allowable range. The transverse stiffness of tower is greater than that of the longitudinal stiffness, therefore wind-resistant analysis should give priority to the longitudinal direction. Dynamic coefficients are different with different standard, the maximum dynamic coefficient should be used for the pseudo-static analysis.Finally, the static stability of tower is analyzed with different load combinations, and the galloping stabilities of cable tower is proved.

Composition-driven Cu-speciation and reducibility in Cu-CHA zeolite catalysts: a multivariate XAS/FTIR approach to complexity† †Electronic supplementary information (ESI) available: Sample description and synthesis details, experimental setup for in situ XAS and FTIR spectroscopy, details on the MCR-ALS method, details on DFT-assisted XANES simulations, details on the determination of N pure by PCA, MCR-ALS results for downsized and upsized component spaces, additional information to support the assignment of theoretical XANES curves, details on EXAFS analysis, details on IR spectral deconvolution. See DOI: 10.1039/c7sc02266b Click here for additional data file.

PubMed Central

Martini, A.; Lomachenko, K. A.; Pankin, I. A.; Negri, C.; Berlier, G.; Beato, P.; Falsig, H.; Bordiga, S.; Lamberti, C.

2017-01-01

The small pore Cu-CHA zeolite is attracting increasing attention as a versatile platform to design novel single-site catalysts for deNOx applications and for the direct conversion of methane to methanol. Understanding at the atomic scale how the catalyst composition influences the Cu-species formed during thermal activation is a key step to unveil the relevant composition–activity relationships. Herein, we explore by in situ XAS the impact of Cu-CHA catalyst composition on temperature-dependent Cu-speciation and reducibility. Advanced multivariate analysis of in situ XANES in combination with DFT-assisted simulation of XANES spectra and multi-component EXAFS fits as well as in situ FTIR spectroscopy of adsorbed N2 allow us to obtain unprecedented quantitative structural information on the complex dynamics during the speciation of Cu-sites inside the framework of the CHA zeolite. PMID:29147509

Transonic propulsion system integration analysis at McDonnell Aircraft Company

NASA Technical Reports Server (NTRS)

Cosner, Raymond R.

1989-01-01

The technology of Computational Fluid Dynamics (CFD) is becoming an important tool in the development of aircraft propulsion systems. Two of the most valuable features of CFD are: (1) quick acquisition of flow field data; and (2) complete description of flow fields, allowing detailed investigation of interactions. Current analysis methods complement wind tunnel testing in several ways. Herein, the discussion is focused on CFD methods. However, aircraft design studies need data from both CFD and wind tunnel testing. Each approach complements the other.

Aeroelastic Stability and Response of Rotating Structures

NASA Technical Reports Server (NTRS)

Keith, Theo G., Jr.; Reddy, Tondapu

2004-01-01

A summary of the work performed under NASA grant is presented. More details can be found in the cited references. This grant led to the development of relatively faster aeroelastic analysis methods for predicting flutter and forced response in fans, compressors, and turbines using computational fluid dynamic (CFD) methods. These methods are based on linearized two- and three-dimensional, unsteady, nonlinear aerodynamic equations. During the period of the grant, aeroelastic analysis that includes the effects of uncertainties in the design variables has also been developed.

Analysis of high velocity impact on hybrid composite fan blades

NASA Technical Reports Server (NTRS)

Chamis, C. C.; Sinclair, J. H.

1979-01-01

Recent developments in the analysis of high velocity impact of composite blades are described, using a computerized capability which consists of coupling a composites mechanics code with the direct-time integration features of NASTRAN. The application of the capability to determine the linear dynamic response of an interply hybrid composite aircraft engine fan blade is described in detail. The results also show that the impact stresses reach sufficiently high magnitudes to cause failures in the impact region at early times of the impact event.

Flight dynamics analysis and simulation of heavy lift airships. Volume 2: Technical manual

NASA Technical Reports Server (NTRS)

Ringland, R. F.; Tischler, M. B.; Jex, H. R.; Emmen, R. D.; Ashkenas, I. L.

1982-01-01

The mathematical models embodied in the simulation are described in considerable detail and with supporting evidence for the model forms chosen. In addition the trimming and linearization algorithms used in the simulation are described. Appendices to the manual identify reference material for estimating the needed coefficients for the input data and provide example simulation results.

A View from UMBC: Using Real-Time Labor-Market Data to Evaluate Professional Program Opportunities

ERIC Educational Resources Information Center

Steele, Christopher; Goldberger, Susan; Restuccia, Dan

2013-01-01

Continuing and professional education units are faced with the constant need to keep pace with dynamic labor markets when assessing program offerings and content. Real-time labor-market data derived from detailed analysis of online job postings offers a new tool for more easily aligning programs to local labor-market demand. The authors describe a…

Comparison of Experimental Data and Computations Fluid Dynamics Analysis for a Three Dimensional Linear Plug Nozzle

NASA Technical Reports Server (NTRS)

Ruf, J. H.; Hagemann, G.; Immich, H.

2003-01-01

A three dimensional linear plug nozzle of area ratio 12.79 was designed by EADS Space Transportation (former Astrium Space Infrastructure). The nozzle was tested within the German National Technology Program 'LION' in a cold air wind tunnel by TU Dresden. The experimental hardware and test conditions are described. Experimental data was obtained for the nozzle without plug side wall fences at a nozzle pressure ratio of 116 and then with plug side wall fences at NPR 110. Schlieren images were recorded and axial profiles of plug wall static pressures were measured at several spanwise locations and on the plug base. Detailed CFD analysis was performed for these nozzle configurations at NPR 116 by NASA MSFC. The CFD exhibits good agreement with the experimental data. A detailed comparison of the CFD results and the experimental plug wall pressure data are given. Comparisons are made for both the without and with plug side wall fence configurations. Numerical results for density gradient are compared to experimental Schlieren images. Experimental nozzle thrust efficiencies are calculated based on the CFD results. The CFD results are used to illustrate the plug nozzle fluid dynamics. The effect of the plug side wall is emphasized.

Finite Element Model Development For Aircraft Fuselage Structures

NASA Technical Reports Server (NTRS)

Buehrle, Ralph D.; Fleming, Gary A.; Pappa, Richard S.; Grosveld, Ferdinand W.

2000-01-01

The ability to extend the valid frequency range for finite element based structural dynamic predictions using detailed models of the structural components and attachment interfaces is examined for several stiffened aircraft fuselage structures. This extended dynamic prediction capability is needed for the integration of mid-frequency noise control technology. Beam, plate and solid element models of the stiffener components are evaluated. Attachment models between the stiffener and panel skin range from a line along the rivets of the physical structure to a constraint over the entire contact surface. The finite element models are validated using experimental modal analysis results.

On the use of attachment modes in substructure coupling for dynamic analysis

NASA Technical Reports Server (NTRS)

Craig, R. R., Jr.; Chang, C.-J.

1977-01-01

Substructure coupling or component-mode synthesis may be employed in the solution of dynamics problems for complex structures. Although numerous substructure-coupling methods have been devised, little attention has been devoted to methods employing attachment modes. In the present paper the various mode sets (normal modes, constraint modes, attachment modes) are defined. A generalized substructure-coupling procedure is described. Those substructure-coupling methods which employ attachment modes are described in detail. One of these methods is shown to lead to results (e.g., system natural frequencies) comparable to or better than those obtained by the Hurty (1965) method.

Dynamical analysis on f(R, G) cosmology

NASA Astrophysics Data System (ADS)

Santos da Costa, S.; Roig, F. V.; Alcaniz, J. S.; Capozziello, S.; De Laurentis, M.; Benetti, M.

2018-04-01

We use a dynamical system approach to study the cosmological viability of f(R, G) gravity theories. The method consists of formulating the evolution equations as an autonomous system of ordinary differential equations, using suitable variables. The formalism is applied to a class of models in which f(R, G)\\propto RnG1-n and its solutions and corresponding stability are analysed in detail. New accelerating solutions that can be attractors in the phase space are found. We also find that this class of models does not exhibit a matter-dominated epoch, a solution which is inconsistent with current cosmological observations.

Reflow dynamics of thin patterned viscous films

NASA Astrophysics Data System (ADS)

Leveder, T.; Landis, S.; Davoust, L.

2008-01-01

This letter presents a study of viscous smoothening dynamics of a nanopatterned thin film. Ultrathin film manufacturing processes appearing to be a key point of nanotechnology engineering and numerous studies have been recently led in order to exhibit driving parameters of this transient surface motion, focusing on time scale accuracy method. Based on nanomechanical analysis, this letter shows that controlled shape measurements provided much more detailed information about reflow mechanism. Control of reflow process of any complex surface shape, or measurement of material parameter as thin film viscosity, free surface energy, or even Hamaker constant are therefore possible.

Dynamism & Detail

ERIC Educational Resources Information Center

Flannery, Maura C.

2004-01-01

New material discovered in the study of cell research is presented for the benefit of biology teachers. Huge amounts of data are being generated in fields like cellular dynamics, and it is felt that people's understanding of the cell is becoming much more complex and detailed.

Passenger rail vehicle safety assessment methodology. Volume II, Detailed analyses and simulation results.

DOT National Transportation Integrated Search

2000-04-01

This report presents detailed analytic tools and results on dynamic response which are used to develop the safe dynamic performance limits of commuter passenger vehicles. The methodology consists of determining the critical parameters and characteris...

Dynamic Relaxation: A Technique for Detailed Thermo-Elastic Structural Analysis of Transportation Structures

NASA Astrophysics Data System (ADS)

Shoukry, Samir N.; William, Gergis W.; Riad, Mourad Y.; McBride, Kevyn C.

2006-08-01

Dynamic relaxation is a technique developed to solve static problems through an explicit integration in finite element. The main advantage of such a technique is the ability to solve a large problem in a relatively short time compared with the traditional implicit techniques, especially when using nonlinear material models. This paper describes the use of such a technique in analyzing large transportation structures as dowel jointed concrete pavements and 306-m-long, reinforced concrete bridge superstructure under the effect of temperature variations. The main feature of the pavement model is the detailed modeling of dowel bars and their interfaces with the surrounding concrete using extremely fine mesh of solid elements, while in the bridge structure it is the detailed modeling of the girder-deck interface as well as the bracing members between the girders. The 3DFE results were found to be in a good agreement with experimentally measured data obtained from an instrumented pavements sections and a highway bridge constructed in West Virginia. Thus, such a technique provides a good tool for analyzing the response of large structures to static loads in a fraction of the time required by traditional, implicit finite element methods.

Fundamental limits on dynamic inference from single-cell snapshots

PubMed Central

Weinreb, Caleb; Tusi, Betsabeh K.; Socolovsky, Merav

2018-01-01

Single-cell expression profiling reveals the molecular states of individual cells with unprecedented detail. Because these methods destroy cells in the process of analysis, they cannot measure how gene expression changes over time. However, some information on dynamics is present in the data: the continuum of molecular states in the population can reflect the trajectory of a typical cell. Many methods for extracting single-cell dynamics from population data have been proposed. However, all such attempts face a common limitation: for any measured distribution of cell states, there are multiple dynamics that could give rise to it, and by extension, multiple possibilities for underlying mechanisms of gene regulation. Here, we describe the aspects of gene expression dynamics that cannot be inferred from a static snapshot alone and identify assumptions necessary to constrain a unique solution for cell dynamics from static snapshots. We translate these constraints into a practical algorithmic approach, population balance analysis (PBA), which makes use of a method from spectral graph theory to solve a class of high-dimensional differential equations. We use simulations to show the strengths and limitations of PBA, and then apply it to single-cell profiles of hematopoietic progenitor cells (HPCs). Cell state predictions from this analysis agree with HPC fate assays reported in several papers over the past two decades. By highlighting the fundamental limits on dynamic inference faced by any method, our framework provides a rigorous basis for dynamic interpretation of a gene expression continuum and clarifies best experimental designs for trajectory reconstruction from static snapshot measurements. PMID:29463712

SRM Internal Flow Test and Computational Fluid Dynamic Analysis. Volume 1; Major Task Summaries

NASA Technical Reports Server (NTRS)

Whitesides, R. Harold; Dill, Richard A.; Purinton, David C.

1995-01-01

During the four year period of performance for NASA contract, NASB-39095, ERC has performed a wide variety of tasks to support the design and continued development of new and existing solid rocket motors and the resolution of operational problems associated with existing solid rocket motor's at NASA MSFC. This report summarizes the support provided to NASA MSFC during the contractual period of performance. The report is divided into three main sections. The first section presents summaries for the major tasks performed. These tasks are grouped into three major categories: full scale motor analysis, subscale motor analysis and cold flow analysis. The second section includes summaries describing the computational fluid dynamics (CFD) tasks performed. The third section, the appendices of the report, presents detailed descriptions of the analysis efforts as well as published papers, memoranda and final reports associated with specific tasks. These appendices are referenced in the summaries. The subsection numbers for the three sections correspond to the same topics for direct cross referencing.

Interactions in the Dark Sector of Cosmology

NASA Astrophysics Data System (ADS)

Bean, Rachel

The success of modern cosmology hinges on two dramatic augmentations beyond the minimalist assumption of baryonic matter interacting gravitationally through general relativity. The first assumption is that there must exist either new gravitational dynamics or a new component of the cosmic energy budget - dark matter - that allows structure to form and accounts for weak lensing and galactic rotation curves. The second assumption is that a further dynamical modification or energy component - dark energy - exists, driving late-time cosmic acceleration. The need for these is now firmly established through a host of observations, which have raised crucial questions, and present a deep challenge to fundamental physics. The central theme of this proposal is the detailed understanding of the nature of the dark sector through the inevitable interactions between its individual components and with the visible universe. Such interactions can be crucial to a given model's viability, affecting its capability to reproduce the cosmic expansion history; the detailed predictions or structure formation; the gravitational dynamics on astrophysical and solar system scales; the stability of the microphysical model, and its ultimate consistency. While many models are consistent with cosmology on the coarsest scales, as is often the case, the devil may lie in the details. In this proposal we plan a comprehensive analysis of these details, focusing on the interactions within the dark sector and between it and visible matter, and on how these interactions affect the observational and theoretical consistency of models. Since it is unlikely that there will be a silver bullet allowing us to isolate the cause of cosmic acceleration, it is critical to develop a coherent view of the landscape of proposed models, extract clear predictions, and determine what combination of experiments and observations might allow us to test these predictions.

Detailed Balance of Thermalization Dynamics in Rydberg-Atom Quantum Simulators.

PubMed

Kim, Hyosub; Park, YeJe; Kim, Kyungtae; Sim, H-S; Ahn, Jaewook

2018-05-04

Dynamics of large complex systems, such as relaxation towards equilibrium in classical statistical mechanics, often obeys a master equation that captures essential information from the complexities. Here, we find that thermalization of an isolated many-body quantum state can be described by a master equation. We observe sudden quench dynamics of quantum Ising-like models implemented in our quantum simulator, defect-free single-atom tweezers in conjunction with Rydberg-atom interaction. Saturation of their local observables, a thermalization signature, obeys a master equation experimentally constructed by monitoring the occupation probabilities of prequench states and imposing the principle of the detailed balance. Our experiment agrees with theories and demonstrates the detailed balance in a thermalization dynamics that does not require coupling to baths or postulated randomness.

Detailed Balance of Thermalization Dynamics in Rydberg-Atom Quantum Simulators

NASA Astrophysics Data System (ADS)

Kim, Hyosub; Park, YeJe; Kim, Kyungtae; Sim, H.-S.; Ahn, Jaewook

2018-05-01

Dynamics of large complex systems, such as relaxation towards equilibrium in classical statistical mechanics, often obeys a master equation that captures essential information from the complexities. Here, we find that thermalization of an isolated many-body quantum state can be described by a master equation. We observe sudden quench dynamics of quantum Ising-like models implemented in our quantum simulator, defect-free single-atom tweezers in conjunction with Rydberg-atom interaction. Saturation of their local observables, a thermalization signature, obeys a master equation experimentally constructed by monitoring the occupation probabilities of prequench states and imposing the principle of the detailed balance. Our experiment agrees with theories and demonstrates the detailed balance in a thermalization dynamics that does not require coupling to baths or postulated randomness.

A Detailed Analysis of the HD 73526 2:1 Resonant Planetary System

NASA Astrophysics Data System (ADS)

Wittenmyer, Robert A.; Tan, Xianyu; Lee, Man Hoi; Horner, Jonathan; Tinney, C. G.; Butler, R. P.; Salter, G. S.; Carter, B. D.; Jones, H. R. A.; O'Toole, S. J.; Bailey, J.; Wright, D.; Crane, J. D.; Schectman, S. A.; Arriagada, P.; Thompson, I.; Minniti, D.; Diaz, M.

2014-01-01

We present six years of new radial velocity data from the Anglo-Australian and Magellan Telescopes on the HD 73526 2:1 resonant planetary system. We investigate both Keplerian and dynamical (interacting) fits to these data, yielding four possible configurations for the system. The new data now show that both resonance angles are librating, with amplitudes of 40° and 60°, respectively. We then perform long-term dynamical stability tests to differentiate these solutions, which only differ significantly in the masses of the planets. We show that while there is no clearly preferred system inclination, the dynamical fit with i = 90° provides the best combination of goodness-of-fit and long-term dynamical stability. This paper includes data gathered with the 6.5 meter Magellan Telescopes located at Las Campanas Observatory, Chile.

Proton dynamics and the phase diagram of dense water ice.

PubMed

Hernandez, J-A; Caracas, R

2018-06-07

All the different phases of water ice between 2 GPa and several megabars are based on a single body-centered cubic sub-lattice of oxygen atoms. They differ only by the behavior of the hydrogen atoms. In this study, we investigate the dynamics of the H atoms at high pressures and temperatures in water ice from first-principles molecular dynamics simulations. We provide a detailed analysis of the O-H⋯O bonding dynamics over the entire stability domain of the body-centered cubic (bcc) water ices and compute transport properties and vibrational density-of-states. We report the first ab initio evidence for a plastic phase of water and we propose a coherent phase diagram for bcc water ices compatible with the two groups of melting curves and with the multiple anomalies reported in ice VII around 15 GPa.

Adaptive integral dynamic surface control of a hypersonic flight vehicle

NASA Astrophysics Data System (ADS)

Aslam Butt, Waseem; Yan, Lin; Amezquita S., Kendrick

2015-07-01

In this article, non-linear adaptive dynamic surface air speed and flight path angle control designs are presented for the longitudinal dynamics of a flexible hypersonic flight vehicle. The tracking performance of the control design is enhanced by introducing a novel integral term that caters to avoiding a large initial control signal. To ensure feasibility, the design scheme incorporates magnitude and rate constraints on the actuator commands. The uncertain non-linear functions are approximated by an efficient use of the neural networks to reduce the computational load. A detailed stability analysis shows that all closed-loop signals are uniformly ultimately bounded and the ? tracking performance is guaranteed. The robustness of the design scheme is verified through numerical simulations of the flexible flight vehicle model.

Acceleration of Singlet Fission in an Aza-Derivative of TIPS-Pentacene.

PubMed

Herz, Julia; Buckup, Tiago; Paulus, Fabian; Engelhart, Jens; Bunz, Uwe H F; Motzkus, Marcus

2014-07-17

The influence of the carbon to nitrogen substitution on the photoinduced dynamics of TIPS-pentacene was investigated by ultrafast transient absorption measurements on spin-coated thin films in the visible and in the near-infrared spectral region. A global target analysis was performed to provide a detailed picture of the excited-state dynamics. We found that the chemical modification has a high impact on the triplet formation and leads to shorter dynamics; hence it speeds up the singlet fission process. A faster relaxation from the singlet into the triplet manifold implies a higher efficiency because other relaxation channels are avoided. The air-stable aza-derivatives have the potential to exceed the energy conversion efficiency of TIPS-pentacene.

The dynamic two-fluid model OLGA; Theory and application

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

Bendiksen, K.H.; Maines, D.; Moe, R.

1991-05-01

Dynamic two-fluid models have found a wide range of application in the simulation of two-phase-flow systems, particularly for the analysis of steam/water flow in the core of a nuclear reactor. Until quite recently, however, very few attempts have been made to use such models in the simulation of two-phase oil and gas flow in pipelines. This paper presents a dynamic two-fluid model, OLGA, in detail, stressing the basic equations and the two-fluid models applied. Predictions of steady-state pressure drop, liquid hold-up, and flow-regime transitions are compared with data from the SINTEF Two-Phase Flow Laboratory and from the literature. Comparisons withmore » evaluated field data are also presented.« less

Simultaneous measurement of temperature and emissivity of lunar regolith simulant using dual-channel millimeter-wave radiometry.

PubMed

McCloy, J S; Sundaram, S K; Matyas, J; Woskov, P P

2011-05-01

Millimeter wave (MMW) radiometry can be used for simultaneous measurement of emissivity and temperature of materials under extreme environments (high temperature, pressure, and corrosive environments). The state-of-the-art dual channel MMW passive radiometer with active interferometric capabilities at 137 GHz described here allows for radiometric measurements of sample temperature and emissivity up to at least 1600 °C with simultaneous measurement of sample surface dynamics. These capabilities have been used to demonstrate dynamic measurement of melting of powders of simulated lunar regolith and static measurement of emissivity of solid samples. The paper presents the theoretical background and basis for the dual-receiver system, describes the hardware in detail, and demonstrates the data analysis. Post-experiment analysis of emissivity versus temperature allows further extraction from the radiometric data of millimeter wave viewing beam coupling factors, which provide corroboratory evidence to the interferometric data of the process dynamics observed. These results show the promise of the MMW system for extracting quantitative and qualitative process parameters for industrial processes and access to real-time dynamics of materials behavior in extreme environments.

NSTX Disruption Simulations of Detailed Divertor and Passive Plate Models by Vector Potential Transfer from OPERA Global Analysis Results

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

P. H. Titus, S. Avasaralla, A.Brooks, R. Hatcher

2010-09-22

The National Spherical Torus Experiment (NSTX) project is planning upgrades to the toroidal field, plasma current and pulse length. This involves the replacement of the center-stack, including the inner legs of the TF, OH, and inner PF coils. A second neutral beam will also be added. The increased performance of the upgrade requires qualification of the remaining components including the vessel, passive plates, and divertor for higher disruption loads. The hardware needing qualification is more complex than is typically accessible by large scale electromagnetic (EM) simulations of the plasma disruptions. The usual method is to include simplified representations of componentsmore » in the large EM models and attempt to extract forces to apply to more detailed models. This paper describes a more efficient approach of combining comprehensive modeling of the plasma and tokamak conducting structures, using the 2D OPERA code, with much more detailed treatment of individual components using ANSYS electromagnetic (EM) and mechanical analysis. This capture local eddy currents and resulting loads in complex details, and allows efficient non-linear, and dynamic structural analyses.« less

Dynamics of land change in India: a fine-scale spatial analysis

NASA Astrophysics Data System (ADS)

Meiyappan, P.; Roy, P. S.; Sharma, Y.; Jain, A. K.; Ramachandran, R.; Joshi, P. K.

2015-12-01

Land is scarce in India: India occupies 2.4% of worlds land area, but supports over 1/6th of worlds human and livestock population. This high population to land ratio, combined with socioeconomic development and increasing consumption has placed tremendous pressure on India's land resources for food, feed, and fuel. In this talk, we present contemporary (1985 to 2005) spatial estimates of land change in India using national-level analysis of Landsat imageries. Further, we investigate the causes of the spatial patterns of change using two complementary lines of evidence. First, we use statistical models estimated at macro-scale to understand the spatial relationships between land change patterns and their concomitant drivers. This analysis using our newly compiled extensive socioeconomic database at village level (~630,000 units), is 100x higher in spatial resolution compared to existing datasets, and covers over 200 variables. The detailed socioeconomic data enabled the fine-scale spatial analysis with Landsat data. Second, we synthesized information from over 130 survey based case studies on land use drivers in India to complement our macro-scale analysis. The case studies are especially useful to identify unobserved variables (e.g. farmer's attitude towards risk). Ours is the most detailed analysis of contemporary land change in India, both in terms of national extent, and the use of detailed spatial information on land change, socioeconomic factors, and synthesis of case studies.

Reynolds-number-dependent dynamical transitions on hydrodynamic synchronization modes of externally driven colloids

NASA Astrophysics Data System (ADS)

Oyama, Norihiro; Teshigawara, Kosuke; Molina, John Jairo; Yamamoto, Ryoichi; Taniguchi, Takashi

2018-03-01

The collective dynamics of externally driven Np-colloidal systems (1 ≤Np≤4 ) in a confined viscous fluid have been investigated using three-dimensional direct numerical simulations with fully resolved hydrodynamics. The dynamical modes of collective particle motion are studied by changing the particle Reynolds number as determined by the strength of the external driving force and the confining wall distance. For a system with Np=3 , we found that at a critical Reynolds number a dynamical mode transition occurs from the doublet-singlet mode to the triplet mode, which has not been reported experimentally. The dynamical mode transition was analyzed in detail from the following two viewpoints: (1) spectrum analysis of the time evolution of a tagged particle velocity and (2) the relative acceleration of the doublet cluster with respect to the singlet particle. For a system with Np=4 , we found similar dynamical mode transitions from the doublet-singlet-singlet mode to the triplet-singlet mode and further to the quartet mode.

Reynolds-number-dependent dynamical transitions on hydrodynamic synchronization modes of externally driven colloids.

PubMed

Oyama, Norihiro; Teshigawara, Kosuke; Molina, John Jairo; Yamamoto, Ryoichi; Taniguchi, Takashi

2018-03-01

The collective dynamics of externally driven N_{p}-colloidal systems (1≤N_{p}≤4) in a confined viscous fluid have been investigated using three-dimensional direct numerical simulations with fully resolved hydrodynamics. The dynamical modes of collective particle motion are studied by changing the particle Reynolds number as determined by the strength of the external driving force and the confining wall distance. For a system with N_{p}=3, we found that at a critical Reynolds number a dynamical mode transition occurs from the doublet-singlet mode to the triplet mode, which has not been reported experimentally. The dynamical mode transition was analyzed in detail from the following two viewpoints: (1) spectrum analysis of the time evolution of a tagged particle velocity and (2) the relative acceleration of the doublet cluster with respect to the singlet particle. For a system with N_{p}=4, we found similar dynamical mode transitions from the doublet-singlet-singlet mode to the triplet-singlet mode and further to the quartet mode.

Site-level model intercomparison of high latitude and high altitude soil thermal dynamics in tundra and barren landscapes

NASA Astrophysics Data System (ADS)

Ekici, A.; Chadburn, S.; Chaudhary, N.; Hajdu, L. H.; Marmy, A.; Peng, S.; Boike, J.; Burke, E.; Friend, A. D.; Hauck, C.; Krinner, G.; Langer, M.; Miller, P. A.; Beer, C.

2015-07-01

Modeling soil thermal dynamics at high latitudes and altitudes requires representations of physical processes such as snow insulation, soil freezing and thawing and subsurface conditions like soil water/ice content and soil texture. We have compared six different land models: JSBACH, ORCHIDEE, JULES, COUP, HYBRID8 and LPJ-GUESS, at four different sites with distinct cold region landscape types, to identify the importance of physical processes in capturing observed temperature dynamics in soils. The sites include alpine, high Arctic, wet polygonal tundra and non-permafrost Arctic, thus showing how a range of models can represent distinct soil temperature regimes. For all sites, snow insulation is of major importance for estimating topsoil conditions. However, soil physics is essential for the subsoil temperature dynamics and thus the active layer thicknesses. This analysis shows that land models need more realistic surface processes, such as detailed snow dynamics and moss cover with changing thickness and wetness, along with better representations of subsoil thermal dynamics.

The Leeuwin Current and its eddies: An introductory overview

NASA Astrophysics Data System (ADS)

Waite, A. M.; Thompson, P. A.; Pesant, S.; Feng, M.; Beckley, L. E.; Domingues, C. M.; Gaughan, D.; Hanson, C. E.; Holl, C. M.; Koslow, T.; Meuleners, M.; Montoya, J. P.; Moore, T.; Muhling, B. A.; Paterson, H.; Rennie, S.; Strzelecki, J.; Twomey, L.

2007-04-01

The Leeuwin Current (LC) is an anomalous poleward-flowing eastern boundary current that carries warm, low-salinity water southward along the coast of Western Australia. We present an introduction to a new body of work on the physical and biological dynamics of the LC and its eddies, collected in this Special Issue of Deep-Sea Research II, including (1) several modelling efforts aimed at understanding LC dynamics and eddy generation, (2) papers from regional surveys of primary productivity and nitrogen uptake patterns in the LC, and (3) the first detailed field investigations of the biological oceanography of LC mesoscale eddies. Key results in papers collected here include insight into the source regions of the LC and the Leeuwin Undercurrent (LUC), the energetic interactions of the LC and LUC, and their roles in the generation of warm-core (WC) and cold-core (CC) eddies, respectively. In near-shore waters, the dynamics of upwelling were found to control the spatio-temporal variability of primary production, and important latitudinal differences were found in the fraction of production driven by nitrate (the f-ratio). The ubiquitous deep chlorophyll maximum within LC was found to be a significant contributor to total water column production within the region. WC eddies including a single large eddy studied in 2000 contained relatively elevated chlorophyll a concentrations thought to originate at least in part from the continental shelf/shelf break region and to have been incorporated during eddy formation. During the Eddies 2003 voyage, a more detailed study comparing the WC and CC eddies illuminated more mechanistic details of the unusual dynamics and ecology of the eddies. Food web analysis suggested that the WC eddy had an enhanced "classic" food web, with more concentrated mesozooplankton and larger diatom populations than in the CC eddy. Finally, implications for fisheries management are addressed.

Moments distributions of single dye molecule spectra in a low-temperature polymer: Analysis of system ergodicity

NASA Astrophysics Data System (ADS)

Anikushina, T. A.; Naumov, A. V.

2013-12-01

This article demonstrates the principal advantages of the technique for analysis of the long-term spectral evolution of single molecules (SM) in the study of the microscopic nature of the dynamic processes in low-temperature polymers. We performed the detailed analysis of the spectral trail of single tetra-tert-butylterrylene (TBT) molecule in an amorphous polyisobutylene matrix, measured over 5 hours at T = 7K. It has been shown that the slow temporal dynamics is in qualitative agreement with the standard model of two-level systems and stochastic sudden-jump model. At the same time the distributions of the first four moments (cumulants) of the spectra of the selected SM measured at different time points were found not consistent with the standard theory prediction. It was considered as evidence that in a given time interval the system is not ergodic

The observed life cycle of a baroclinic instability

NASA Technical Reports Server (NTRS)

Randel, W. J.; Stanford, J. L.

1985-01-01

Medium-scale waves (zonal wavenumbers 4-7) frequently dominate Southern Hemisphere summer circulation patterns. Randel and Stanford have studied the dynamics of these features, demonstrating that the medium-scale waves result from baroclinic excitation and exhibit well-defined life cycles. This study details the evolution of the medium-scale waves during a particular life cycle. The specific case chosen exhibits a high degree of zonal symmetry, prompting study based upon zonally averaged diagnostics. An analysis of the medium-scale wave energetics reveals a well-defined life cycle of baroclinic growth, maturity, and barotropic decay. Eliassen-Palm flux diagrams detail the daily wave structure and its interaction with the zonally-averaged flow.

The New Maia Detector System: Methods For High Definition Trace Element Imaging Of Natural Material

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

Ryan, C. G.; School of Physics, University of Melbourne, Parkville VIC; CODES Centre of Excellence, University of Tasmania, Hobart TAS

2010-04-06

Motivated by the need for megapixel high definition trace element imaging to capture intricate detail in natural material, together with faster acquisition and improved counting statistics in elemental imaging, a large energy-dispersive detector array called Maia has been developed by CSIRO and BNL for SXRF imaging on the XFM beamline at the Australian Synchrotron. A 96 detector prototype demonstrated the capacity of the system for real-time deconvolution of complex spectral data using an embedded implementation of the Dynamic Analysis method and acquiring highly detailed images up to 77 M pixels spanning large areas of complex mineral sample sections.

The New Maia Detector System: Methods For High Definition Trace Element Imaging Of Natural Material

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

Ryan, C.G.; Siddons, D.P.; Kirkham, R.

2010-05-25

Motivated by the need for megapixel high definition trace element imaging to capture intricate detail in natural material, together with faster acquisition and improved counting statistics in elemental imaging, a large energy-dispersive detector array called Maia has been developed by CSIRO and BNL for SXRF imaging on the XFM beamline at the Australian Synchrotron. A 96 detector prototype demonstrated the capacity of the system for real-time deconvolution of complex spectral data using an embedded implementation of the Dynamic Analysis method and acquiring highly detailed images up to 77 M pixels spanning large areas of complex mineral sample sections.

Respiratory monitoring system based on the nasal pressure technique for the analysis of sleep breathing disorders: Reduction of static and dynamic errors, and comparisons with thermistors and pneumotachographs

NASA Astrophysics Data System (ADS)

Alves de Mesquita, Jayme; Lopes de Melo, Pedro

2004-03-01

Thermally sensitive devices—thermistors—have usually been used to monitor sleep-breathing disorders. However, because of their long time constant, these devices are not able to provide a good characterization of fast events, like hypopneas. Nasal pressure recording technique (NPR) has recently been suggested to quantify airflow during sleep. It is claimed that the short time constants of the devices used to implement this technique would allow an accurate analysis of fast abnormal respiratory events. However, these devices present errors associated with nonlinearities and acoustic resonance that could reduce the diagnostic value of the NPR. Moreover, in spite of the high scientific and clinical potential, there is no detailed description of a complete instrumentation system to implement this promising technique in sleep studies. In this context, the purpose of this work was twofold: (1) describe the development of a flexible NPR device and (2) evaluate the performance of this device when compared to pneumotachographs (PNTs) and thermistors. After the design details are described, the system static accuracy is evaluated by a comparative analysis with a PNT. This analysis revealed a significant reduction (p<0.001) of the static error when system nonlinearities were reduced. The dynamic performance of the NPR system was investigated by frequency response analysis and time constant evaluations and the results showed that the developed device response was as good as PNT and around 100 times faster (τ=5,3 ms) than thermistors (τ=512 ms). Experimental results obtained in simulated clinical conditions and in a patient are presented as examples, and confirmed the good features achieved in engineering tests. These results are in close agreement with physiological fundamentals, supplying substantial evidence that the improved dynamic and static characteristics of this device can contribute to a more accurate implementation of medical research projects and to improve the diagnoses of sleep-breathing disorders.

Dynamic analysis of trapping and escaping in dual beam optical trap

NASA Astrophysics Data System (ADS)

Li, Wenqiang; Hu, Huizhu; Su, Heming; Li, Zhenggang; Shen, Yu

2016-10-01

In this paper, we simulate the dynamic movement of a dielectric sphere in optical trap. This dynamic analysis can be used to calibrate optical forces, increase trapping efficiency and measure viscous coefficient of surrounding medium. Since an accurate dynamic analysis is based on a detailed force calculation, we calculate all forces a sphere receives. We get the forces of dual-beam gradient radiation pressure on a micron-sized dielectric sphere in the ray optics regime and utilize Einstein-Ornstein-Uhlenbeck to deal with its Brownian motion forces. Hydrodynamic viscous force also exists when the sphere moves in liquid. Forces from buoyance and gravity are also taken into consideration. Then we simulate trajectory of a sphere when it is subject to all these forces in a dual optical trap. From our dynamic analysis, the sphere can be trapped at an equilibrium point in static water, although it permanently fluctuates around the equilibrium point due to thermal effects. We go a step further to analyze the effects of misalignment of two optical traps. Trapping and escaping phenomena of the sphere in flowing water are also simulated. In flowing water, the sphere is dragged away from the equilibrium point. This dragging distance increases with the decrease of optical power, which results in escaping of the sphere with optical power below a threshold. In both trapping and escaping process we calculate the forces and position of the sphere. Finally, we analyze a trapping region in dual optical tweezers.

Dynamic fluctuation of proteins watched in real time

PubMed Central

Ormos, Pál

2008-01-01

The dynamic nature of protein function is a fundamental concept in the physics of proteins. Although the basic general ideas are well accepted most experimental evidence has an indirect nature. The detailed characterization of the dynamics is necessary for the understanding in detail. The dynamic fluctuations thought crucial for the function span an extremely broad time, starting from the picosecond regime. Recently, a few new experimental techniques emerged that permit the observation of dynamical phenomena directly. Notably, pulsed infrared (IR) spectroscopy has been applied with great success to observe structural changes with picosecond time resolution. Using two-dimensional-IR vibrational echo chemical exchange spectroscopy Ishikawa and co-workers [Ishikawa et al. (2008), Proc. Natl. Acad. Sci. U.S.A. 101, 14402–14407] managed to observe the transition between well defined conformational substrates of carbonmonoxy myoglobin directly. This is an important step in improving our insight into the details of protein function. PMID:19436491

Sleep dynamics: A self-organized critical system

NASA Astrophysics Data System (ADS)

Comte, J. C.; Ravassard, P.; Salin, P. A.

2006-05-01

In psychiatric and neurological diseases, sleep is often perturbed. Moreover, recent works on humans and animals tend to show that sleep plays a strong role in memory processes. Reciprocally, sleep dynamics following a learning task is modified [Hubert , Nature (London) 02663, 1 (2004), Peigneux , Neuron 44, 535 (2004)]. However, sleep analysis in humans and animals is often limited to the total sleep and wake duration quantification. These two parameters are not fully able to characterize the sleep dynamics. In mammals sleep presents a complex organization with an alternation of slow wave sleep (SWS) and paradoxical sleep (PS) episodes. Moreover, it has been shown recently that these sleep episodes are frequently interrupted by micro-arousal (without awakening). We present here a detailed analysis of the basal sleep properties emerging from the mechanisms underlying the vigilance states alternation in an animal model. These properties present a self-organized critical system signature and reveal the existence of two W, two SWS, and a PS structure exhibiting a criticality as met in sand piles. We propose a theoretical model of the sleep dynamics based on several interacting neuronal populations. This new model of sleep dynamics presents the same properties as experimentally observed, and explains the variability of the collected data. This experimental and theoretical study suggests that sleep dynamics shares several common features with critical systems.

Perspective: Markov models for long-timescale biomolecular dynamics.

PubMed

Schwantes, C R; McGibbon, R T; Pande, V S

2014-09-07

Molecular dynamics simulations have the potential to provide atomic-level detail and insight to important questions in chemical physics that cannot be observed in typical experiments. However, simply generating a long trajectory is insufficient, as researchers must be able to transform the data in a simulation trajectory into specific scientific insights. Although this analysis step has often been taken for granted, it deserves further attention as large-scale simulations become increasingly routine. In this perspective, we discuss the application of Markov models to the analysis of large-scale biomolecular simulations. We draw attention to recent improvements in the construction of these models as well as several important open issues. In addition, we highlight recent theoretical advances that pave the way for a new generation of models of molecular kinetics.

Bianchi class B spacetimes with electromagnetic fields

NASA Astrophysics Data System (ADS)

Yamamoto, Kei

2012-02-01

We carry out a thorough analysis on a class of cosmological space-times which admit three spacelike Killing vectors of Bianchi class B and contain electromagnetic fields. Using dynamical system analysis, we show that a family of electro-vacuum plane-wave solutions of the Einstein-Maxwell equations is the stable attractor for expanding universes. Phase dynamics are investigated in detail for particular symmetric models. We integrate the system exactly for some special cases to confirm the qualitative features. Some of the obtained solutions have not been presented previously to the best of our knowledge. Finally, based on those analyses, we discuss the relation between those homogeneous models and perturbations of open Friedmann-Lemaitre-Robertson-Walker universes. We argue that the electro-vacuum plane-wave modes correspond to a certain long-wavelength limit of electromagnetic perturbations.

Simulation analysis of an integrated model for dynamic cellular manufacturing system

NASA Astrophysics Data System (ADS)

Hao, Chunfeng; Luan, Shichao; Kong, Jili

2017-05-01

Application of dynamic cellular manufacturing system (DCMS) is a well-known strategy to improve manufacturing efficiency in the production environment with high variety and low volume of production. Often, neither the trade-off of inter and intra-cell material movements nor the trade-off of hiring and firing of operators are examined in details. This paper presents simulation results of an integrated mixed-integer model including sensitivity analysis for several numerical examples. The comprehensive model includes cell formation, inter and intracellular materials handling, inventory and backorder holding, operator assignment (including resource adjustment) and flexible production routing. The model considers multi-production planning with flexible resources (machines and operators) where each period has different demands. The results verify the validity and sensitivity of the proposed model using a genetic algorithm.

Understanding the interactions of human follicle stimulating hormone with single-walled carbon nanotubes by molecular dynamics simulation and free energy analysis.

PubMed

Mahmoodi, Yasaman; Mehrnejad, Faramarz; Khalifeh, Khosrow

2018-01-01

Interactions of carbon nanotubes (CNTs) and blood proteins are of interest for nanotoxicology and nanomedicine. It is believed that the interactions of blood proteins and glycoproteins with CNTs may have important biological effects. In spite of many experimental studies of single-walled carbon nanotubes (SWCNT) and glycoproteins with different methods, little is known about the atomistic details of their association process or of structural alterations occurring in adsorbed glycoproteins. In this study, we have applied molecular dynamics simulation to investigate the interaction of follicle stimulating hormone (hFSH) with SWCNT. The aim of this work is to investigate possible mechanisms of nanotoxicity at a molecular level. We present details of the molecular dynamics, structure, and free energy of binding of hFSH on the surface of SWCNT. We find that hFSH in aqueous solution strongly adsorbs onto SWCNT via their concave surface as evidenced by high binding free energies for residues in both protein subunits. It was found that hydrophobic, π-cation, and π-π stacking interactions are the main driving forces for the adsorption of the protein at the nanotube surface.

A Practical Quantum Mechanics Molecular Mechanics Method for the Dynamical Study of Reactions in Biomolecules.

PubMed

Mendieta-Moreno, Jesús I; Marcos-Alcalde, Iñigo; Trabada, Daniel G; Gómez-Puertas, Paulino; Ortega, José; Mendieta, Jesús

2015-01-01

Quantum mechanics/molecular mechanics (QM/MM) methods are excellent tools for the modeling of biomolecular reactions. Recently, we have implemented a new QM/MM method (Fireball/Amber), which combines an efficient density functional theory method (Fireball) and a well-recognized molecular dynamics package (Amber), offering an excellent balance between accuracy and sampling capabilities. Here, we present a detailed explanation of the Fireball method and Fireball/Amber implementation. We also discuss how this tool can be used to analyze reactions in biomolecules using steered molecular dynamics simulations. The potential of this approach is shown by the analysis of a reaction catalyzed by the enzyme triose-phosphate isomerase (TIM). The conformational space and energetic landscape for this reaction are analyzed without a priori assumptions about the protonation states of the different residues during the reaction. The results offer a detailed description of the reaction and reveal some new features of the catalytic mechanism. In particular, we find a new reaction mechanism that is characterized by the intramolecular proton transfer from O1 to O2 and the simultaneous proton transfer from Glu 165 to C2. Copyright © 2015 Elsevier Inc. All rights reserved.

Accelerated molecular dynamics simulations of protein folding.

PubMed

Miao, Yinglong; Feixas, Ferran; Eun, Changsun; McCammon, J Andrew

2015-07-30

Folding of four fast-folding proteins, including chignolin, Trp-cage, villin headpiece and WW domain, was simulated via accelerated molecular dynamics (aMD). In comparison with hundred-of-microsecond timescale conventional molecular dynamics (cMD) simulations performed on the Anton supercomputer, aMD captured complete folding of the four proteins in significantly shorter simulation time. The folded protein conformations were found within 0.2-2.1 Å of the native NMR or X-ray crystal structures. Free energy profiles calculated through improved reweighting of the aMD simulations using cumulant expansion to the second-order are in good agreement with those obtained from cMD simulations. This allows us to identify distinct conformational states (e.g., unfolded and intermediate) other than the native structure and the protein folding energy barriers. Detailed analysis of protein secondary structures and local key residue interactions provided important insights into the protein folding pathways. Furthermore, the selections of force fields and aMD simulation parameters are discussed in detail. Our work shows usefulness and accuracy of aMD in studying protein folding, providing basic references in using aMD in future protein-folding studies. © 2015 Wiley Periodicals, Inc.

The Dynamics of Truncated Black Hole Accretion Disks. II. Magnetohydrodynamic Case

NASA Astrophysics Data System (ADS)

Hogg, J. Drew; Reynolds, Christopher S.

2018-02-01

We study a truncated accretion disk using a well-resolved, semi-global magnetohydrodynamic simulation that is evolved for many dynamical times (6096 inner disk orbits). The spectral properties of hard-state black hole binary systems and low-luminosity active galactic nuclei are regularly attributed to truncated accretion disks, but a detailed understanding of the flow dynamics is lacking. In these systems the truncation is expected to arise through thermal instability driven by sharp changes in the radiative efficiency. We emulate this behavior using a simple bistable cooling function with efficient and inefficient branches. The accretion flow takes on an arrangement where a “transition zone” exists in between hot gas in the innermost regions and a cold, Shakura & Sunyaev thin disk at larger radii. The thin disk is embedded in an atmosphere of hot gas that is fed by a gentle outflow originating from the transition zone. Despite the presence of hot gas in the inner disk, accretion is efficient. Our analysis focuses on the details of the angular momentum transport, energetics, and magnetic field properties. We find that the magnetic dynamo is suppressed in the hot, truncated inner region of the disk which lowers the effective α-parameter by 65%.

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

NASA Technical Reports Server (NTRS)

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

1972-01-01

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

Elucidating the ensemble of functionally-relevant transitions in protein systems with a robotics-inspired method.

PubMed

Molloy, Kevin; Shehu, Amarda

2013-01-01

Many proteins tune their biological function by transitioning between different functional states, effectively acting as dynamic molecular machines. Detailed structural characterization of transition trajectories is central to understanding the relationship between protein dynamics and function. Computational approaches that build on the Molecular Dynamics framework are in principle able to model transition trajectories at great detail but also at considerable computational cost. Methods that delay consideration of dynamics and focus instead on elucidating energetically-credible conformational paths connecting two functionally-relevant structures provide a complementary approach. Effective sampling-based path planning methods originating in robotics have been recently proposed to produce conformational paths. These methods largely model short peptides or address large proteins by simplifying conformational space. We propose a robotics-inspired method that connects two given structures of a protein by sampling conformational paths. The method focuses on small- to medium-size proteins, efficiently modeling structural deformations through the use of the molecular fragment replacement technique. In particular, the method grows a tree in conformational space rooted at the start structure, steering the tree to a goal region defined around the goal structure. We investigate various bias schemes over a progress coordinate for balance between coverage of conformational space and progress towards the goal. A geometric projection layer promotes path diversity. A reactive temperature scheme allows sampling of rare paths that cross energy barriers. Experiments are conducted on small- to medium-size proteins of length up to 214 amino acids and with multiple known functionally-relevant states, some of which are more than 13Å apart of each-other. Analysis reveals that the method effectively obtains conformational paths connecting structural states that are significantly different. A detailed analysis on the depth and breadth of the tree suggests that a soft global bias over the progress coordinate enhances sampling and results in higher path diversity. The explicit geometric projection layer that biases the exploration away from over-sampled regions further increases coverage, often improving proximity to the goal by forcing the exploration to find new paths. The reactive temperature scheme is shown effective in increasing path diversity, particularly in difficult structural transitions with known high-energy barriers.

Multijoint kinetic chain analysis of knee extension during the soccer instep kick.

PubMed

Naito, Kozo; Fukui, Yosuke; Maruyama, Takeo

2010-04-01

Although previous studies have shown that motion-dependent interactions between adjacent segments play an important role in producing knee extension during the soccer instep kick, detailed knowledge about the mechanisms underlying those interactions is lacking. The present study aimed to develop a 3-D dynamical model for the multijoint kinetic chain of the instep kick in order to quantify the contributions of the causal dynamical factors to the production of maximum angular velocity during knee extension. Nine collegiate soccer players volunteered to participate in the experiment and performed instep kicking movements while 3-D positional data and the ground reaction force were measured. A dynamical model was developed in the form of a linked system containing 8 segments and 18 joint rotations, and the knee extension/flexion motion was decomposed into causal factors related to muscular moment, gyroscopic moment, centrifugal force, Coriolis force, gravity, proximal endpoint linear acceleration, and external force-dependent terms. The rapid knee extension during instep kicking was found to result almost entirely from kicking leg centrifugal force, trunk rotation muscular moment, kicking leg Coriolis force, and trunk rotation gyroscopic-dependent components. Based on the finding that rapid knee extension during instep kicking stems from multiple dynamical factors, it is suggested that the multijoint kinetic chain analysis used in the present study is more useful for achieving a detailed understanding of the cause of rapid kicking leg movement than the previously used 2-D, two-segment kinetic chain model. The present results also indicated that the centrifugal effect due to the kicking hip flexion angular velocity contributed substantially to the generation of a rapid knee extension, suggesting that the adjustment between the kicking hip flexion angular velocity and the leg configuration (knee flexion angle) is more important for effective instep kicking than other joint kinematics.

Computational Fluid Dynamics (CFD) applications in rocket propulsion analysis and design

NASA Technical Reports Server (NTRS)

Mcconnaughey, P. K.; Garcia, R.; Griffin, L. W.; Ruf, J. H.

1993-01-01

Computational Fluid Dynamics (CFD) has been used in recent applications to affect subcomponent designs in liquid propulsion rocket engines. This paper elucidates three such applications for turbine stage, pump stage, and combustor chamber geometries. Details of these applications include the development of a high turning airfoil for a gas generator (GG) powered, liquid oxygen (LOX) turbopump, single-stage turbine using CFD as an integral part of the design process. CFD application to pump stage design has emphasized analysis of inducers, impellers, and diffuser/volute sections. Improvements in pump stage impeller discharge flow uniformity have been seen through CFD optimization on coarse grid models. In the area of combustor design, recent CFD analysis of a film cooled ablating combustion chamber has been used to quantify the interaction between film cooling rate, chamber wall contraction angle, and geometry and their effects of these quantities on local wall temperature. The results are currently guiding combustion chamber design and coolant flow rate for an upcoming subcomponent test. Critical aspects of successful integration of CFD into the design cycle includes a close-coupling of CFD and design organizations, quick turnaround of parametric analyses once a baseline CFD benchmark has been established, and the use of CFD methodology and approaches that address pertinent design issues. In this latter area, some problem details can be simplified while retaining key physical aspects to maintain analytical integrity.

Host computer software specifications for a zero-g payload manhandling simulator

NASA Technical Reports Server (NTRS)

Wilson, S. W.

1986-01-01

The HP PASCAL source code was developed for the Mission Planning and Analysis Division (MPAD) of NASA/JSC, and takes the place of detailed flow charts defining the host computer software specifications for MANHANDLE, a digital/graphical simulator that can be used to analyze the dynamics of onorbit (zero-g) payload manhandling operations. Input and output data for representative test cases are contained.

Characterization and Dynamic Analysis of Long-Cavity Multi-Section Gain- Levered Quantum-Dot Lasers

DTIC Science & Technology

2013-03-01

test setup .................................................................... 8 Figure 5: Comparison of a Fabry – Perot and distributed feedback...for example Fabry – Perot and distributed-feedback designs), with each possessing advantages and disadvantages that will be discussed in detail in...contrast to Fabry – Perot cavities (two discrete mirrors) that result in lasing over multiple longitudinal modes supported by the cavity. Figure 5 shows

Investigating the Influence Relationship Models for Stocks in Indian Equity Market: A Weighted Network Modelling Study

PubMed Central

Acharjee, Animesh

2016-01-01

The socio-economic systems today possess high levels of both interconnectedness and interdependencies, and such system-level relationships behave very dynamically. In such situations, it is all around perceived that influence is a perplexing power that has an overseeing part in affecting the dynamics and behaviours of involved ones. As a result of the force & direction of influence, the transformative change of one entity has a cogent aftereffect on the other entities in the system. The current study employs directed weighted networks for investigating the influential relationship patterns existent in a typical equity market as an outcome of inter-stock interactions happening at the market level, the sectorial level and the industrial level. The study dataset is derived from 335 constituent stocks of ‘Standard & Poor Bombay Stock Exchange 500 index’ and study period is 1st June 2005 to 30th June 2015. The study identifies the set of most dynamically influential stocks & their respective temporal pattern at three hierarchical levels: the complete equity market, different sectors, and constituting industry segments of those sectors. A detailed influence relationship analysis is performed for the sectorial level network of the construction sector, and it was found that stocks belonging to the cement industry possessed high influence within this sector. Also, the detailed network analysis of construction sector revealed that it follows scale-free characteristics and power law distribution. In the industry specific influence relationship analysis for cement industry, methods based on threshold filtering and minimum spanning tree were employed to derive a set of sub-graphs having temporally stable high-correlation structure over this ten years period. PMID:27846251

Investigating the Influence Relationship Models for Stocks in Indian Equity Market: A Weighted Network Modelling Study.

PubMed

Bhattacharjee, Biplab; Shafi, Muhammad; Acharjee, Animesh

2016-01-01

The socio-economic systems today possess high levels of both interconnectedness and interdependencies, and such system-level relationships behave very dynamically. In such situations, it is all around perceived that influence is a perplexing power that has an overseeing part in affecting the dynamics and behaviours of involved ones. As a result of the force & direction of influence, the transformative change of one entity has a cogent aftereffect on the other entities in the system. The current study employs directed weighted networks for investigating the influential relationship patterns existent in a typical equity market as an outcome of inter-stock interactions happening at the market level, the sectorial level and the industrial level. The study dataset is derived from 335 constituent stocks of 'Standard & Poor Bombay Stock Exchange 500 index' and study period is 1st June 2005 to 30th June 2015. The study identifies the set of most dynamically influential stocks & their respective temporal pattern at three hierarchical levels: the complete equity market, different sectors, and constituting industry segments of those sectors. A detailed influence relationship analysis is performed for the sectorial level network of the construction sector, and it was found that stocks belonging to the cement industry possessed high influence within this sector. Also, the detailed network analysis of construction sector revealed that it follows scale-free characteristics and power law distribution. In the industry specific influence relationship analysis for cement industry, methods based on threshold filtering and minimum spanning tree were employed to derive a set of sub-graphs having temporally stable high-correlation structure over this ten years period.

Propulsion System Dynamic Modeling of the NASA Supersonic Concept Vehicle for AeroPropulsoServoElasticity

NASA Technical Reports Server (NTRS)

Kopasakis, George; Connolly, Joseph W.; Seiel, Jonathan

2016-01-01

A summary of the propulsion system modeling under NASA's High Speed Project (HSP) AeroPropulsoServoElasticity (APSE) task is provided with a focus on the propulsion system for the low-boom supersonic configuration developed by Lockheed Martin and referred to as the N+2 configuration. This summary includes details on the effort to date to develop computational models for the various propulsion system components. The objective of this paper is to summarize the model development effort in this task, while providing more detail in the modeling areas that have not been previously published. The purpose of the propulsion system modeling and the overall APSE effort is to develop an integrated dynamic vehicle model to conduct appropriate unsteady analysis of supersonic vehicle performance. This integrated APSE system model concept includes the propulsion system model, and the vehicle structural aerodynamics model. The development to date of such a preliminary integrated model will also be summarized in this report

Propulsion System Dynamic Modeling of the NASA Supersonic Concept Vehicle for AeroPropulsoServoElasticity

NASA Technical Reports Server (NTRS)

Kopasakis, George; Connolly, Joseph W.; Seidel, Jonathan

2014-01-01

A summary of the propulsion system modeling under NASA's High Speed Project (HSP) AeroPropulsoServoElasticity (APSE) task is provided with a focus on the propulsion system for the lowboom supersonic configuration developed by Lockheed Martin and referred to as the N+2 configuration. This summary includes details on the effort to date to develop computational models for the various propulsion system components. The objective of this paper is to summarize the model development effort in this task, while providing more detail in the modeling areas that have not been previously published. The purpose of the propulsion system modeling and the overall APSE effort is to develop an integrated dynamic vehicle model to conduct appropriate unsteady analysis of supersonic vehicle performance. This integrated APSE system model concept includes the propulsion system model, and the vehicle structural-aerodynamics model. The development to date of such a preliminary integrated model will also be summarized in this report.

Automatic analysis of dividing cells in live cell movies to detect mitotic delays and correlate phenotypes in time.

PubMed

Harder, Nathalie; Mora-Bermúdez, Felipe; Godinez, William J; Wünsche, Annelie; Eils, Roland; Ellenberg, Jan; Rohr, Karl

2009-11-01

Live-cell imaging allows detailed dynamic cellular phenotyping for cell biology and, in combination with small molecule or drug libraries, for high-content screening. Fully automated analysis of live cell movies has been hampered by the lack of computational approaches that allow tracking and recognition of individual cell fates over time in a precise manner. Here, we present a fully automated approach to analyze time-lapse movies of dividing cells. Our method dynamically categorizes cells into seven phases of the cell cycle and five aberrant morphological phenotypes over time. It reliably tracks cells and their progeny and can thus measure the length of mitotic phases and detect cause and effect if mitosis goes awry. We applied our computational scheme to annotate mitotic phenotypes induced by RNAi gene knockdown of CKAP5 (also known as ch-TOG) or by treatment with the drug nocodazole. Our approach can be readily applied to comparable assays aiming at uncovering the dynamic cause of cell division phenotypes.

Dynamical mean-field theory and weakly non-linear analysis for the phase separation of active Brownian particles

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

Speck, Thomas; Menzel, Andreas M.; Bialké, Julian

2015-06-14

Recently, we have derived an effective Cahn-Hilliard equation for the phase separation dynamics of active Brownian particles by performing a weakly non-linear analysis of the effective hydrodynamic equations for density and polarization [Speck et al., Phys. Rev. Lett. 112, 218304 (2014)]. Here, we develop and explore this strategy in more detail and show explicitly how to get to such a large-scale, mean-field description starting from the microscopic dynamics. The effective free energy emerging from this approach has the form of a conventional Ginzburg-Landau function. On the coarsest scale, our results thus agree with the mapping of active phase separation ontomore » that of passive fluids with attractive interactions through a global effective free energy (motility-induced phase transition). Particular attention is paid to the square-gradient term necessary for the phase separation kinetics. We finally discuss results from numerical simulations corroborating the analytical results.« less

Linearized aerodynamic and control law models of the X-29A airplane and comparison with flight data

NASA Technical Reports Server (NTRS)

Bosworth, John T.

1992-01-01

Flight control system design and analysis for aircraft rely on mathematical models of the vehicle dynamics. In addition to a six degree of freedom nonlinear simulation, the X-29A flight controls group developed a set of programs that calculate linear perturbation models throughout the X-29A flight envelope. The models include the aerodynamics as well as flight control system dynamics and were used for stability, controllability, and handling qualities analysis. These linear models were compared to flight test results to help provide a safe flight envelope expansion. A description is given of the linear models at three flight conditions and two flight control system modes. The models are presented with a level of detail that would allow the reader to reproduce the linear results if desired. Comparison between the response of the linear model and flight measured responses are presented to demonstrate the strengths and weaknesses of the linear models' ability to predict flight dynamics.

Visual exploration of high-dimensional data through subspace analysis and dynamic projections

DOE PAGES

Liu, S.; Wang, B.; Thiagarajan, J. J.; ...

2015-06-01

Here, we introduce a novel interactive framework for visualizing and exploring high-dimensional datasets based on subspace analysis and dynamic projections. We assume the high-dimensional dataset can be represented by a mixture of low-dimensional linear subspaces with mixed dimensions, and provide a method to reliably estimate the intrinsic dimension and linear basis of each subspace extracted from the subspace clustering. Subsequently, we use these bases to define unique 2D linear projections as viewpoints from which to visualize the data. To understand the relationships among the different projections and to discover hidden patterns, we connect these projections through dynamic projections that createmore » smooth animated transitions between pairs of projections. We introduce the view transition graph, which provides flexible navigation among these projections to facilitate an intuitive exploration. Finally, we provide detailed comparisons with related systems, and use real-world examples to demonstrate the novelty and usability of our proposed framework.« less

Visual Exploration of High-Dimensional Data through Subspace Analysis and Dynamic Projections

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

Liu, S.; Wang, B.; Thiagarajan, Jayaraman J.

2015-06-01

We introduce a novel interactive framework for visualizing and exploring high-dimensional datasets based on subspace analysis and dynamic projections. We assume the high-dimensional dataset can be represented by a mixture of low-dimensional linear subspaces with mixed dimensions, and provide a method to reliably estimate the intrinsic dimension and linear basis of each subspace extracted from the subspace clustering. Subsequently, we use these bases to define unique 2D linear projections as viewpoints from which to visualize the data. To understand the relationships among the different projections and to discover hidden patterns, we connect these projections through dynamic projections that create smoothmore » animated transitions between pairs of projections. We introduce the view transition graph, which provides flexible navigation among these projections to facilitate an intuitive exploration. Finally, we provide detailed comparisons with related systems, and use real-world examples to demonstrate the novelty and usability of our proposed framework.« less

Dynamic analysis and control of lightweight manipulators with flexible parallel link mechanisms

NASA Technical Reports Server (NTRS)

Lee, Jeh Won

1991-01-01

The flexible parallel link mechanism is designed for increased rigidity to sustain the buckling when it carries a heavy payload. Compared to a one link flexible manipulator, a two link flexible manipulator, especially the flexible parallel mechanism, has more complicated characteristics in dynamics and control. The objective of this research is the theoretical analysis and the experimental verification of dynamics and control of a two link flexible manipulator with a flexible parallel link mechanism. Nonlinear equations of motion of the lightweight manipulator are derived by the Lagrangian method in symbolic form to better understand the structure of the dynamic model. A manipulator with a flexible parallel link mechanism is a constrained dynamic system whose equations are sensitive to numerical integration error. This constrained system is solved using singular value decomposition of the constraint Jacobian matrix. The discrepancies between the analytical model and the experiment are explained using a simplified and a detailed finite element model. The step response of the analytical model and the TREETOPS model match each other well. The nonlinear dynamics is studied using a sinusoidal excitation. The actuator dynamic effect on a flexible robot was investigated. The effects are explained by the root loci and the Bode plot theoretically and experimentally. For the base performance for the advanced control scheme, a simple decoupled feedback scheme is applied.

Dynamic analysis of apoptosis using cyanine SYTO probes: From classical to microfluidic cytometry

PubMed Central

Wlodkowic, Donald; Skommer, Joanna; Faley, Shannon; Darzynkiewicz, Zbigniew; Cooper, Jonathan M.

2013-01-01

Cell death is a stochastic process, often initiated and/or executed in a multi-pathway/multi-organelle fashion. Therefore, high-throughput single-cell analysis platforms are required to provide detailed characterization of kinetics and mechanisms of cell death in heterogeneous cell populations. However, there is still a largely unmet need for inert fluorescent probes, suitable for prolonged kinetic studies. Here, we compare the use of innovative adaptation of unsymmetrical SYTO dyes for dynamic real-time analysis of apoptosis in conventional as well as microfluidic chip-based systems. We show that cyanine SYTO probes allow non-invasive tracking of intracellular events over extended time. Easy handling and “stain–no wash” protocols open up new opportunities for high-throughput analysis and live-cell sorting. Furthermore, SYTO probes are easily adaptable for detection of cell death using automated microfluidic chip-based cytometry. Overall, the combined use of SYTO probes and state-of-the-art Lab-on-a-Chip platform emerges as a cost effective solution for automated drug screening compared to conventional Annexin V or TUNEL assays. In particular, it should allow for dynamic analysis of samples where low cell number has so far been an obstacle, e.g. primary cancer stems cells or circulating minimal residual tumors. PMID:19298813

Dynamic self-guiding analysis of Alzheimer's disease

PubMed Central

Kurakin, Alexei; Bredesen, Dale E.

2015-01-01

We applied a self-guiding evolutionary algorithm to initiate the synthesis of the Alzheimer's disease-related data and literature. A protein interaction network associated with amyloid-beta precursor protein (APP) and a seed model that treats Alzheimer's disease as progressive dysregulation of APP-associated signaling were used as dynamic “guides” and structural “filters” in the recursive search, analysis, and assimilation of data to drive the evolution of the seed model in size, detail, and complexity. Analysis of data and literature across sub-disciplines and system-scale discovery platforms suggests a key role of dynamic cytoskeletal connectivity in the stability, plasticity, and performance of multicellular networks and architectures. Chronic impairment and/or dysregulation of cell adhesions/synapses, cytoskeletal networks, and/or reversible epithelial-to-mesenchymal-like transitions, which enable and mediate the stable and coherent yet dynamic and reconfigurable multicellular architectures, may lead to the emergence and persistence of the disordered, wound-like pockets/microenvironments of chronically disconnected cells. Such wound-like microenvironments support and are supported by pro-inflammatory, pro-secretion, de-differentiated cellular phenotypes with altered metabolism and signaling. The co-evolution of wound-like microenvironments and their inhabitants may lead to the selection and stabilization of degenerated cellular phenotypes, via acquisition of epigenetic modifications and mutations, which eventually result in degenerative disorders such as cancer and Alzheimer's disease. PMID:26041885

Molecular Dynamics Simulations and Dynamic Network Analysis Reveal the Allosteric Unbinding of Monobody to H-Ras Triggered by R135K Mutation.

PubMed

Ni, Duan; Song, Kun; Zhang, Jian; Lu, Shaoyong

2017-10-26

Ras proteins, as small GTPases, mediate cell proliferation, survival and differentiation. Ras mutations have been associated with a broad spectrum of human cancers and thus targeting Ras represents a potential way forward for cancer therapy. A recently reported monobody NS1 allosterically disrupts the Ras-mediated signaling pathway, but its efficacy is reduced by R135K mutation in H-Ras. However, the detailed mechanism is unresolved. Here, using molecular dynamics (MD) simulations and dynamic network analysis, we explored the molecular mechanism for the unbinding of NS1 to H-Ras and shed light on the underlying allosteric network in H-Ras. MD simulations revealed that the overall structures of the two complexes did not change significantly, but the H-Ras-NS1 interface underwent significant conformational alteration in the mutant Binding free energy analysis showed that NS1 binding was unfavored after R135K mutation, which resulted in the unfavorable binding of NS1. Furthermore, the critical residues on H-Ras responsible for the loss of binding of NS1 were identified. Importantly, the allosteric networks for these important residues were revealed, which yielded a novel insight into the allosteric regulatory mechanism of H-Ras.

Molecular Dynamics Simulations and Dynamic Network Analysis Reveal the Allosteric Unbinding of Monobody to H-Ras Triggered by R135K Mutation

PubMed Central

Song, Kun; Zhang, Jian; Lu, Shaoyong

2017-01-01

Ras proteins, as small GTPases, mediate cell proliferation, survival and differentiation. Ras mutations have been associated with a broad spectrum of human cancers and thus targeting Ras represents a potential way forward for cancer therapy. A recently reported monobody NS1 allosterically disrupts the Ras-mediated signaling pathway, but its efficacy is reduced by R135K mutation in H-Ras. However, the detailed mechanism is unresolved. Here, using molecular dynamics (MD) simulations and dynamic network analysis, we explored the molecular mechanism for the unbinding of NS1 to H-Ras and shed light on the underlying allosteric network in H-Ras. MD simulations revealed that the overall structures of the two complexes did not change significantly, but the H-Ras–NS1 interface underwent significant conformational alteration in the mutant Binding free energy analysis showed that NS1 binding was unfavored after R135K mutation, which resulted in the unfavorable binding of NS1. Furthermore, the critical residues on H-Ras responsible for the loss of binding of NS1 were identified. Importantly, the allosteric networks for these important residues were revealed, which yielded a novel insight into the allosteric regulatory mechanism of H-Ras. PMID:29072601

Simulation on a car interior aerodynamic noise control based on statistical energy analysis

NASA Astrophysics Data System (ADS)

Chen, Xin; Wang, Dengfeng; Ma, Zhengdong

2012-09-01

How to simulate interior aerodynamic noise accurately is an important question of a car interior noise reduction. The unsteady aerodynamic pressure on body surfaces is proved to be the key effect factor of car interior aerodynamic noise control in high frequency on high speed. In this paper, a detail statistical energy analysis (SEA) model is built. And the vibra-acoustic power inputs are loaded on the model for the valid result of car interior noise analysis. The model is the solid foundation for further optimization on car interior noise control. After the most sensitive subsystems for the power contribution to car interior noise are pointed by SEA comprehensive analysis, the sound pressure level of car interior aerodynamic noise can be reduced by improving their sound and damping characteristics. The further vehicle testing results show that it is available to improve the interior acoustic performance by using detailed SEA model, which comprised by more than 80 subsystems, with the unsteady aerodynamic pressure calculation on body surfaces and the materials improvement of sound/damping properties. It is able to acquire more than 2 dB reduction on the central frequency in the spectrum over 800 Hz. The proposed optimization method can be looked as a reference of car interior aerodynamic noise control by the detail SEA model integrated unsteady computational fluid dynamics (CFD) and sensitivity analysis of acoustic contribution.

relaxGUI: a new software for fast and simple NMR relaxation data analysis and calculation of ps-ns and μs motion of proteins.

PubMed

Bieri, Michael; d'Auvergne, Edward J; Gooley, Paul R

2011-06-01

Investigation of protein dynamics on the ps-ns and μs-ms timeframes provides detailed insight into the mechanisms of enzymes and the binding properties of proteins. Nuclear magnetic resonance (NMR) is an excellent tool for studying protein dynamics at atomic resolution. Analysis of relaxation data using model-free analysis can be a tedious and time consuming process, which requires good knowledge of scripting procedures. The software relaxGUI was developed for fast and simple model-free analysis and is fully integrated into the software package relax. It is written in Python and uses wxPython to build the graphical user interface (GUI) for maximum performance and multi-platform use. This software allows the analysis of NMR relaxation data with ease and the generation of publication quality graphs as well as color coded images of molecular structures. The interface is designed for simple data analysis and management. The software was tested and validated against the command line version of relax.

Rail vehicle dynamic response to a nonlinear physical 'in-service' model of its secondary suspension hydraulic dampers

NASA Astrophysics Data System (ADS)

Wang, W. L.; Zhou, Z. R.; Yu, D. S.; Qin, Q. H.; Iwnicki, S.

2017-10-01

A full nonlinear physical 'in-service' model was built for a rail vehicle secondary suspension hydraulic damper with shim-pack-type valves. In the modelling process, a shim pack deflection theory with an equivalent-pressure correction factor was proposed, and a Finite Element Analysis (FEA) approach was applied. Bench test results validated the damper model over its full velocity range and thus also proved that the proposed shim pack deflection theory and the FEA-based parameter identification approach are effective. The validated full damper model was subsequently incorporated into a detailed vehicle dynamics simulation to study how its key in-service parameter variations influence the secondary-suspension-related vehicle system dynamics. The obtained nonlinear physical in-service damper model and the vehicle dynamic response characteristics in this study could be used in the product design optimization and nonlinear optimal specifications of high-speed rail hydraulic dampers.

FDNS CFD Code Benchmark for RBCC Ejector Mode Operation

NASA Technical Reports Server (NTRS)

Holt, James B.; Ruf, Joe

1999-01-01

Computational Fluid Dynamics (CFD) analysis results are compared with benchmark quality test data from the Propulsion Engineering Research Center's (PERC) Rocket Based Combined Cycle (RBCC) experiments to verify fluid dynamic code and application procedures. RBCC engine flowpath development will rely on CFD applications to capture the multi-dimensional fluid dynamic interactions and to quantify their effect on the RBCC system performance. Therefore, the accuracy of these CFD codes must be determined through detailed comparisons with test data. The PERC experiments build upon the well-known 1968 rocket-ejector experiments of Odegaard and Stroup by employing advanced optical and laser based diagnostics to evaluate mixing and secondary combustion. The Finite Difference Navier Stokes (FDNS) code was used to model the fluid dynamics of the PERC RBCC ejector mode configuration. Analyses were performed for both Diffusion and Afterburning (DAB) and Simultaneous Mixing and Combustion (SMC) test conditions. Results from both the 2D and the 3D models are presented.

Brownian Dynamics and Molecular Dynamics Study of the Association between Hydrogenase and Ferredoxin from Chlamydomonas reinhardtii

PubMed Central

Long, Hai; Chang, Christopher H.; King, Paul W.; Ghirardi, Maria L.; Kim, Kwiseon

2008-01-01

The [FeFe] hydrogenase from the green alga Chlamydomonas reinhardtii can catalyze the reduction of protons to hydrogen gas using electrons supplied from photosystem I and transferred via ferredoxin. To better understand the association of the hydrogenase and the ferredoxin, we have simulated the process over multiple timescales. A Brownian dynamics simulation method gave an initial thorough sampling of the rigid-body translational and rotational phase spaces, and the resulting trajectories were used to compute the occupancy and free-energy landscapes. Several important hydrogenase-ferredoxin encounter complexes were identified from this analysis, which were then individually simulated using atomistic molecular dynamics to provide more details of the hydrogenase and ferredoxin interaction. The ferredoxin appeared to form reasonable complexes with the hydrogenase in multiple orientations, some of which were good candidates for inclusion in a transition state ensemble of configurations for electron transfer. PMID:18621810

Effect of Eccentricity on the Static and Dynamic Performance of a Turbulent Hybrid Bearing

NASA Technical Reports Server (NTRS)

Sanandres, Luis A.

1991-01-01

The effect of journal eccentricity on the static and dynamic performance of a water lubricated, 5-recess hybrid bearing is presented in detail. The hydrostatic bearing has been designed to operate at a high speed and with a large level of external pressurization. The operating conditions determine the flow in the bearing to be highly turbulent and strongly dominated by fluid inertia effects. The analysis covers the spectrum of journal center displacements directed towards the middle of a recess and towards the mid-land portion between two consecutive recesses. Predicted dynamic force coefficients are uniform for small to moderate eccentricities. For large journal center displacements, fluid cavitation and recess position determine large changes in the bearing dynamic performance. The effect of fluid inertia force coefficients on the threshold speed of instability and whirl ratio of a single mass flexible rotor is discussed.

Quantitative imaging of heterogeneous dynamics in drying and aging paints

PubMed Central

van der Kooij, Hanne M.; Fokkink, Remco; van der Gucht, Jasper; Sprakel, Joris

2016-01-01

Drying and aging paint dispersions display a wealth of complex phenomena that make their study fascinating yet challenging. To meet the growing demand for sustainable, high-quality paints, it is essential to unravel the microscopic mechanisms underlying these phenomena. Visualising the governing dynamics is, however, intrinsically difficult because the dynamics are typically heterogeneous and span a wide range of time scales. Moreover, the high turbidity of paints precludes conventional imaging techniques from reaching deep inside the paint. To address these challenges, we apply a scattering technique, Laser Speckle Imaging, as a versatile and quantitative tool to elucidate the internal dynamics, with microscopic resolution and spanning seven decades of time. We present a toolbox of data analysis and image processing methods that allows a tailored investigation of virtually any turbid dispersion, regardless of the geometry and substrate. Using these tools we watch a variety of paints dry and age with unprecedented detail. PMID:27682840

Controllability of Free-piston Stirling Engine/linear Alternator Driving a Dynamic Load

NASA Technical Reports Server (NTRS)

Kankam, M. David; Rauch, Jeffrey S.

1994-01-01

This paper presents the dynamic behavior of a Free-Piston Stirling Engine/linear alternator (FPSE/LA) driving a single-phase fractional horse-power induction motor. The controllability and dynamic stability of the system are discussed by means of sensitivity effects of variations in system parameters, engine controller, operating conditions, and mechanical loading on the induction motor. The approach used expands on a combined mechanical and thermodynamic formulation employed in a previous paper. The application of state-space technique and frequency domain analysis enhances understanding of the dynamic interactions. Engine-alternator parametric sensitivity studies, similar to those of the previous paper, are summarized. Detailed discussions are provided for parametric variations which relate to the engine controller and system operating conditions. The results suggest that the controllability of a FPSE-based power system is enhanced by proper operating conditions and built-in controls.

Exploring RNA structure and dynamics through enhanced sampling simulations.

PubMed

Mlýnský, Vojtěch; Bussi, Giovanni

2018-04-01

RNA function is intimately related to its structural dynamics. Molecular dynamics simulations are useful for exploring biomolecular flexibility but are severely limited by the accessible timescale. Enhanced sampling methods allow this timescale to be effectively extended in order to probe biologically relevant conformational changes and chemical reactions. Here, we review the role of enhanced sampling techniques in the study of RNA systems. We discuss the challenges and promises associated with the application of these methods to force-field validation, exploration of conformational landscapes and ion/ligand-RNA interactions, as well as catalytic pathways. Important technical aspects of these methods, such as the choice of the biased collective variables and the analysis of multi-replica simulations, are examined in detail. Finally, a perspective on the role of these methods in the characterization of RNA dynamics is provided. Copyright © 2018 Elsevier Ltd. All rights reserved.

Adaptive Event-Triggered Control Based on Heuristic Dynamic Programming for Nonlinear Discrete-Time Systems.

PubMed

Dong, Lu; Zhong, Xiangnan; Sun, Changyin; He, Haibo

2017-07-01

This paper presents the design of a novel adaptive event-triggered control method based on the heuristic dynamic programming (HDP) technique for nonlinear discrete-time systems with unknown system dynamics. In the proposed method, the control law is only updated when the event-triggered condition is violated. Compared with the periodic updates in the traditional adaptive dynamic programming (ADP) control, the proposed method can reduce the computation and transmission cost. An actor-critic framework is used to learn the optimal event-triggered control law and the value function. Furthermore, a model network is designed to estimate the system state vector. The main contribution of this paper is to design a new trigger threshold for discrete-time systems. A detailed Lyapunov stability analysis shows that our proposed event-triggered controller can asymptotically stabilize the discrete-time systems. Finally, we test our method on two different discrete-time systems, and the simulation results are included.

Decomposition-aggregation stability analysis. [for large scale dynamic systems with application to spinning Skylab control system

NASA Technical Reports Server (NTRS)

Siljak, D. D.; Weissenberger, S.; Cuk, S. M.

1973-01-01

This report presents the development and description of the decomposition aggregation approach to stability investigations of high dimension mathematical models of dynamic systems. The high dimension vector differential equation describing a large dynamic system is decomposed into a number of lower dimension vector differential equations which represent interconnected subsystems. Then a method is described by which the stability properties of each subsystem are aggregated into a single vector Liapunov function, representing the aggregate system model, consisting of subsystem Liapunov functions as components. A linear vector differential inequality is then formed in terms of the vector Liapunov function. The matrix of the model, which reflects the stability properties of the subsystems and the nature of their interconnections, is analyzed to conclude over-all system stability characteristics. The technique is applied in detail to investigate the stability characteristics of a dynamic model of a hypothetical spinning Skylab.

A locomotive-track coupled vertical dynamics model with gear transmissions

NASA Astrophysics Data System (ADS)

Chen, Zaigang; Zhai, Wanming; Wang, Kaiyun

2017-02-01

A gear transmission system is a key element in a locomotive for the transmission of traction or braking forces between the motor and the wheel-rail interface. Its dynamic performance has a direct effect on the operational reliability of the locomotive and its components. This paper proposes a comprehensive locomotive-track coupled vertical dynamics model, in which the locomotive is driven by axle-hung motors. In this coupled dynamics model, the dynamic interactions between the gear transmission system and the other components, e.g. motor and wheelset, are considered based on the detailed analysis of its structural properties and working mechanism. Thus, the mechanical transmission system for power delivery from the motor to the wheelset via gear transmission is coupled with a traditional locomotive-track dynamics system via the wheel-rail contact interface and the gear mesh interface. This developed dynamics model enables investigations of the dynamic performance of the entire dynamics system under the excitations from the wheel-rail contact interface and/or the gear mesh interface. Dynamic interactions are demonstrated by numerical simulations using this dynamics model. The results indicate that both of the excitations from the wheel-rail contact interface and the gear mesh interface have a significant effect on the dynamic responses of the components in this coupled dynamics system.

Experimental verification of Space Platform battery discharger design optimization

NASA Astrophysics Data System (ADS)

Sable, Dan M.; Deuty, Scott; Lee, Fred C.; Cho, Bo H.

The detailed design of two candidate topologies for the Space Platform battery discharger, a four module boost converter (FMBC) and a voltage-fed push-pull autotransformer (VFPPAT), is presented. Each has unique problems. The FMBC requires careful design and analysis in order to obtain good dynamic performance. This is due to the presence of a right-half-plane (RHP) zero in the control-to-output transfer function. The VFPPAT presents a challenging power stage design in order to yield high efficiency and light component weight. The authors describe the design of each of these converters and compare their efficiency, weight, and dynamic characteristics.

GPS synchronized power system phase angle measurements

NASA Astrophysics Data System (ADS)

Wilson, Robert E.; Sterlina, Patrick S.

1994-09-01

This paper discusses the use of Global Positioning System (GPS) synchronized equipment for the measurement and analysis of key power system quantities. Two GPS synchronized phasor measurement units (PMU) were installed before testing. It was indicated that PMUs recorded the dynamic response of the power system phase angles when the northern California power grid was excited by the artificial short circuits. Power system planning engineers perform detailed computer generated simulations of the dynamic response of the power system to naturally occurring short circuits. The computer simulations use models of transmission lines, transformers, circuit breakers, and other high voltage components. This work will compare computer simulations of the same event with field measurement.

Dynamics of Rotating Multi-component Turbomachinery Systems

NASA Technical Reports Server (NTRS)

Lawrence, Charles

1993-01-01

The ultimate objective of turbomachinery vibration analysis is to predict both the overall, as well as component dynamic response. To accomplish this objective requires complete engine structural models, including multistages of bladed disk assemblies, flexible rotor shafts and bearings, and engine support structures and casings. In the present approach each component is analyzed as a separate structure and boundary information is exchanged at the inter-component connections. The advantage of this tactic is that even though readily available detailed component models are utilized, accurate and comprehensive system response information may be obtained. Sample problems, which include a fixed base rotating blade and a blade on a flexible rotor, are presented.

Swinging motion of active deformable particles in Poiseuille flow

NASA Astrophysics Data System (ADS)

Tarama, Mitsusuke

2017-08-01

Dynamics of active deformable particles in an external Poiseuille flow is investigated. To make the analysis general, we employ time-evolution equations derived from symmetry considerations that take into account an elliptical shape deformation. First, we clarify the relation of our model to that of rigid active particles. Then, we study the dynamical modes that active deformable particles exhibit by changing the strength of the external flow. We emphasize the difference between the active particles that tend to self-propel parallel to the elliptical shape deformation and those self-propelling perpendicularly. In particular, a swinging motion around the centerline far from the channel walls is discussed in detail.

Experimental verification of Space Platform battery discharger design optimization

NASA Technical Reports Server (NTRS)

Sable, Dan M.; Deuty, Scott; Lee, Fred C.; Cho, Bo H.

1991-01-01

The detailed design of two candidate topologies for the Space Platform battery discharger, a four module boost converter (FMBC) and a voltage-fed push-pull autotransformer (VFPPAT), is presented. Each has unique problems. The FMBC requires careful design and analysis in order to obtain good dynamic performance. This is due to the presence of a right-half-plane (RHP) zero in the control-to-output transfer function. The VFPPAT presents a challenging power stage design in order to yield high efficiency and light component weight. The authors describe the design of each of these converters and compare their efficiency, weight, and dynamic characteristics.

Thermodynamic output of single-atom quantum optical amplifiers and their phase-space fingerprint

NASA Astrophysics Data System (ADS)

Perl, Y.; Band, Y. B.; Boukobza, E.

2017-05-01

We analyze a resonant single-atom two-photon quantum optical amplifier both dynamically and thermodynamically. A detailed thermodynamic analysis shows that the nonlinear amplifier is thermodynamically equivalent to the linear amplifier. However, by calculating the Wigner quasiprobability distribution for various initial field states, we show that unique quantum features in optical phase space, absent in the linear amplifier, are retained for extended times, despite the fact that dissipation tends to wash out dynamical features observed at early evolution times. These features are related to the discrete nature of the two-photon matter-field interaction and fingerprint the initial field state at thermodynamic times.

A new sensitivity analysis for structural optimization of composite rotor blades

NASA Technical Reports Server (NTRS)

Venkatesan, C.; Friedmann, P. P.; Yuan, Kuo-An

1993-01-01

This paper presents a detailed mathematical derivation of the sensitivity derivatives for the structural dynamic, aeroelastic stability and response characteristics of a rotor blade in hover and forward flight. The formulation is denoted by the term semianalytical approach, because certain derivatives have to be evaluated by a finite difference scheme. Using the present formulation, sensitivity derivatives for the structural dynamic and aeroelastic stability characteristics, were evaluated for both isotropic and composite rotor blades. Based on the results, useful conclusions are obtained regarding the relative merits of the semi-analytical approach, for calculating sensitivity derivatives, when compared to a pure finite difference approach.

The presence of a phantom field in a Randall–Sundrum scenario

NASA Astrophysics Data System (ADS)

Acuña-Cárdenas, Rubén O.; Astorga-Moreno, J. A.; García-Aspeitia, Miguel A.; López-Domínguez, J. C.

2018-02-01

The presence of phantom dark energy in brane world cosmology generates important new effects, causing a premature big rip singularity when we increase the presence of extra dimensions and considerably competing with the other components of our Universe. This article first considers only a field with the characteristic equation ω<-1 and then the explicit form of the scalar field with a potential with a maximum (with the aim of avoiding a big rip singularity). In both cases we study the dynamics robustly through dynamical analysis theory, considering in detail parameters such as the deceleration q and the vector field associated to the dynamical system. Results are discussed with the purpose of treating the cosmology with a phantom field as dark energy in a Randall–Sundrum scenario.

Reactive immunization on complex networks

NASA Astrophysics Data System (ADS)

Alfinito, Eleonora; Beccaria, Matteo; Fachechi, Alberto; Macorini, Guido

2017-01-01

Epidemic spreading on complex networks depends on the topological structure as well as on the dynamical properties of the infection itself. Generally speaking, highly connected individuals play the role of hubs and are crucial to channel information across the network. On the other hand, static topological quantities measuring the connectivity structure are independent of the dynamical mechanisms of the infection. A natural question is therefore how to improve the topological analysis by some kind of dynamical information that may be extracted from the ongoing infection itself. In this spirit, we propose a novel vaccination scheme that exploits information from the details of the infection pattern at the moment when the vaccination strategy is applied. Numerical simulations of the infection process show that the proposed immunization strategy is effective and robust on a wide class of complex networks.

Recurrence Quantification of Fractal Structures

PubMed Central

Webber, Charles L.

2012-01-01

By definition, fractal structures possess recurrent patterns. At different levels repeating patterns can be visualized at higher magnifications. The purpose of this chapter is threefold. First, general characteristics of dynamical systems are addressed from a theoretical mathematical perspective. Second, qualitative and quantitative recurrence analyses are reviewed in brief, but the reader is directed to other sources for explicit details. Third, example mathematical systems that generate strange attractors are explicitly defined, giving the reader the ability to reproduce the rich dynamics of continuous chaotic flows or discrete chaotic iterations. The challenge is then posited for the reader to study for themselves the recurrent structuring of these different dynamics. With a firm appreciation of the power of recurrence analysis, the reader will be prepared to turn their sights on real-world systems (physiological, psychological, mechanical, etc.). PMID:23060808

Design and implementation of a control structure for quality products in a crude oil atmospheric distillation column.

PubMed

Sotelo, David; Favela-Contreras, Antonio; Sotelo, Carlos; Jiménez, Guillermo; Gallegos-Canales, Luis

2017-11-01

In recent years, interest for petrochemical processes has been increasing, especially in refinement area. However, the high variability in the dynamic characteristics present in the atmospheric distillation column poses a challenge to obtain quality products. To improve distillates quality in spite of the changes in the input crude oil composition, this paper details a new design of a control strategy in a conventional crude oil distillation plant defined using formal interaction analysis tools. The process dynamic and its control are simulated on Aspen HYSYS ® dynamic environment under real operating conditions. The simulation results are compared against a typical control strategy commonly used in crude oil atmospheric distillation columns. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.

Inverse problem of HIV cell dynamics using Genetic Algorithms

NASA Astrophysics Data System (ADS)

González, J. A.; Guzmán, F. S.

2017-01-01

In order to describe the cell dynamics of T-cells in a patient infected with HIV, we use a flavour of Perelson's model. This is a non-linear system of Ordinary Differential Equations that describes the evolution of healthy, latently infected, infected T-cell concentrations and the free viral cells. Different parameters in the equations give different dynamics. Considering the concentration of these types of cells is known for a particular patient, the inverse problem consists in estimating the parameters in the model. We solve this inverse problem using a Genetic Algorithm (GA) that minimizes the error between the solutions of the model and the data from the patient. These errors depend on the parameters of the GA, like mutation rate and population, although a detailed analysis of this dependence will be described elsewhere.

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

Rivera-Durón, R. R., E-mail: roberto.rivera@ipicyt.edu.mx; Campos-Cantón, E., E-mail: eric.campos@ipicyt.edu.mx; Campos-Cantón, I.

We present the design of an autonomous time-delay Boolean network realized with readily available electronic components. Through simulations and experiments that account for the detailed nonlinear response of each circuit element, we demonstrate that a network with five Boolean nodes displays complex behavior. Furthermore, we show that the dynamics of two identical networks display near-instantaneous synchronization to a periodic state when forced by a common periodic Boolean signal. A theoretical analysis of the network reveals the conditions under which complex behavior is expected in an individual network and the occurrence of synchronization in the forced networks. This research will enablemore » future experiments on autonomous time-delay networks using readily available electronic components with dynamics on a slow enough time-scale so that inexpensive data collection systems can faithfully record the dynamics.« less

Clustering and assembly dynamics of a one-dimensional microphase former.

PubMed

Hu, Yi; Charbonneau, Patrick

2018-05-23

Both ordered and disordered microphases ubiquitously form in suspensions of particles that interact through competing short-range attraction and long-range repulsion (SALR). While ordered microphases are more appealing materials targets, understanding the rich structural and dynamical properties of their disordered counterparts is essential to controlling their mesoscale assembly. Here, we study the disordered regime of a one-dimensional (1D) SALR model, whose simplicity enables detailed analysis by transfer matrices and Monte Carlo simulations. We first characterize the signature of the clustering process on macroscopic observables, and then assess the equilibration dynamics of various simulation algorithms. We notably find that cluster moves markedly accelerate the mixing time, but that event chains are of limited help in the clustering regime. These insights will inspire further study of three-dimensional microphase formers.

Hydrodynamic limit of the Yukawa one-component plasma

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

Salin, Gwenaeel

This paper presents a detailed mathematical analysis of the dynamical correlation of density fluctuations of the Yukawa one component plasma in the framework of linearized hydrodynamics. In particular, expressions for the hydrodynamic modes which hold both for the plasma and the neutral fluid are derived. This work constitutes an extension of the computation of the dynamical structure factor in the hydrodynamic limit done by Vieillefosse and Hansen [Phys. Rev. A 12, 1106 (1975)]. As a typical result of Yukawa plasma, a coupling appears between thermal and mechanical effects in the damping of the sound modes, which does not exist inmore » the classical one component plasma. Theoretical and numerical results obtained by means of equilibrium molecular-dynamic simulations in the microcanonical ensemble are compared and discussed.« less

Spectroscopic analysis of 8-hydroxyquinoline derivatives and investigation of its reactive properties by DFT and molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Sureshkumar, B.; Mary, Y. Sheena; Resmi, K. S.; Panicker, C. Yohannan; Armaković, Stevan; Armaković, Sanja J.; Van Alsenoy, C.; Narayana, B.; Suma, S.

2018-03-01

Two 8-hydroxyquinoline derivatives, 5,7-dichloro-8-hydroxyquinoline (57DC8HQ) and 5-chloro-7-iodo-8-hydroxy quinoline (5CL7I8HQ) have been investigated in details by means of spectroscopic characterization and computational molecular modelling techniques. FT-IR and FT-Raman experimental spectroscopic approaches have been utilized in order to obtain detailed spectroscopic signatures of title compounds, while DFT calculations have been used in order to visualize and assign vibrations. The computed values of dipole moment, polarizability and hyperpolarizability indicate that the title molecules exhibit NLO properties. The evaluated HOMO and LUMO energies demonstrate the chemical stability of the molecules. NBO analysis is made to study the stability of the molecules arising from hyperconjugative interactions and charge delocalization. DFT calculations have been also used jointly with MD simulations in order to investigate in details global and local reactivity properties of title compounds. Also, molecular docking has been also used in order to investigate affinity of title compounds against decarboxylase inhibitor and quinoline derivatives can be a lead compounds for developing new antiparkinsonian drug.

Glenn-HT: The NASA Glenn Research Center General Multi-Block Navier-Stokes Heat Transfer Code

NASA Technical Reports Server (NTRS)

Gaugler, Raymond E.; Lee, Chi-Miag (Technical Monitor)

2001-01-01

For the last several years, Glenn-HT, a three-dimensional (3D) Computational Fluid Dynamics (CFD) computer code for the analysis of gas turbine flow and convective heat transfer has been evolving at the NASA Glenn Research Center. The code is unique in the ability to give a highly detailed representation of the flow field very close to solid surfaces in order to get accurate representation of fluid heat transfer and viscous shear stresses. The code has been validated and used extensively for both internal cooling passage flow and for hot gas path flows, including detailed film cooling calculations and complex tip clearance gap flow and heat transfer. In its current form, this code has a multiblock grid capability and has been validated for a number of turbine configurations. The code has been developed and used primarily as a research tool, but it can be useful for detailed design analysis. In this paper, the code is described and examples of its validation and use for complex flow calculations are presented, emphasizing the applicability to turbomachinery for space launch vehicle propulsion systems.

Glenn-HT: The NASA Glenn Research Center General Multi-Block Navier-Stokes Heat Transfer Code

NASA Technical Reports Server (NTRS)

Gaugfer, Raymond E.

2002-01-01

For the last several years, Glenn-HT, a three-dimensional (3D) Computational Fluid Dynamics (CFD) computer code for the analysis of gas turbine flow and convective heat transfer has been evolving at the NASA Glenn Research Center. The code is unique in the ability to give a highly detailed representation of the flow field very close to solid surfaces in order to get accurate representation of fluid heat transfer and viscous shear stresses. The code has been validated and used extensively for both internal cooling passage flow and for hot gas path flows, including detailed film cooling calculations and complex tip clearance gap flow and heat transfer. In its current form, this code has a multiblock grid capability and has been validated for a number of turbine configurations. The code has been developed and used primarily as a research tool, but it can be useful for detailed design analysis. In this presentation, the code is described and examples of its validation and use for complex flow calculations are presented, emphasizing the applicability to turbomachinery.

Glenn-HT: The NASA Glenn Research Center General Multi-Block Navier Stokes Heat Transfer Code

NASA Technical Reports Server (NTRS)

Gaugler, Raymond E.

2002-01-01

For the last several years, Glenn-HT, a three-dimensional (3D) Computational Fluid Dynamics (CFD) computer code for the analysis of gas turbine flow and convective heat transfer has been evolving at the NASA Glenn Research Center. The code is unique in the ability to give a highly detailed representation of the flow field very close to solid surfaces in order to get accurate representation of fluid beat transfer and viscous shear stresses. The code has been validated and used extensively for both internal cooling passage flow and for hot gas path flows, including detailed film cooling calculations and complex tip clearance gap flow and heat transfer. In its current form, this code has a multiblock grid capability and has been validated for a number of turbine configurations. The code has been developed and used primarily as a research tool, but it can be useful for detailed design analysis. In this presentation, the code is described and examples of its validation and use for complex flow calculations are presented, emphasizing the applicability to turbomachinery.

Design, development and testing twin pulse tube cryocooler

NASA Astrophysics Data System (ADS)

Gour, Abhay Singh; Sagar, Pankaj; Karunanithi, R.

2017-09-01

The design and development of Twin Pulse Tube Cryocooler (TPTC) is presented. Both the coolers are driven by a single Linear Moving Magnet Synchronous Motor (LMMSM) with piston heads at both ends of the mover shaft. Magnetostatic analysis for flux line distribution was carried-out during design and development of LMMSM based pressure wave generator. Based on the performance of PWG, design of TPTC was carried out using Sage and Computational Fluid Dynamics (CFD) analysis. Detailed design, fabrication and testing of LMMSM, TPTC and their integration tests are presented in this paper.

Universal Serial Bus Architecture for Removable Media (USB-ARM)

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

2011-03-09

USB-ARM creates operating system drivers which sit between removable media and the user and applications. The drivers isolate the media and submit the contents of the media to a virtual machine containing an entire scanning system. This scanning system may include traditional anti-virus, but also allows more detailed analysis of files, including dynamic run-time analysis, helping to prevent "zero-day" threats not already identified in anti-virus signatures. Once cleared, the media is presented to the operating system, at which point it becomes available to users and applications.

Heavy Lift Helicopter - Cargo Handling ATC Program. Volume I. Detail Design Structural and Weights Analysis, and Static and Dynamic Load Analysis

DTIC Science & Technology

1976-01-01

a load cell for axial load sensing. The cylindrical spring fluid housing has a self-aligning bearing installed to suit the hoist rtounting provisions...PA dJ A L4 * f5 W 7 1 ~~t~ j"H2 j "xioA"AUSCCRCO El4 "sV. 10% PLA VIE - C : NJrAUk ATK ON AA U - . j4 5’ c IIf -O a ¶ .. ~~r~eF ON *A *~ A*WMA &fi

Space shuttle main engine numerical modeling code modifications and analysis

NASA Technical Reports Server (NTRS)

Ziebarth, John P.

1988-01-01

The user of computational fluid dynamics (CFD) codes must be concerned with the accuracy and efficiency of the codes if they are to be used for timely design and analysis of complicated three-dimensional fluid flow configurations. A brief discussion of how accuracy and efficiency effect the CFD solution process is given. A more detailed discussion of how efficiency can be enhanced by using a few Cray Research Inc. utilities to address vectorization is presented and these utilities are applied to a three-dimensional Navier-Stokes CFD code (INS3D).

Automated Parameter Studies Using a Cartesian Method

NASA Technical Reports Server (NTRS)

Murman, Scott M.; Aftosimis, Michael J.; Nemec, Marian

2004-01-01

Computational Fluid Dynamics (CFD) is now routinely used to analyze isolated points in a design space by performing steady-state computations at fixed flight conditions (Mach number, angle of attack, sideslip), for a fixed geometric configuration of interest. This "point analysis" provides detailed information about the flowfield, which aides an engineer in understanding, or correcting, a design. A point analysis is typically performed using high fidelity methods at a handful of critical design points, e.g. a cruise or landing configuration, or a sample of points along a flight trajectory.

Observation of dynamic atom-atom correlation in liquid helium in real space

DOE PAGES

Dmowski, W.; Diallo, S. O.; Lokshin, K.; ...

2017-05-04

Liquid 4He becomes superfluid and flows without resistance below temperature 2.17 K. Superfluidity has been a subject of intense studies and notable advances were made in elucidating the phenomenon by experiment and theory. Nevertheless, details of the microscopic state, including dynamic atom–atom correlations in the superfluid state, are not fully understood. Here using a technique of neutron dynamic pair-density function (DPDF) analysis we show that 4He atoms in the Bose–Einstein condensate have environment significantly different from uncondensed atoms, with the interatomic distance larger than the average by about 10%, whereas the average structure changes little through the superfluid transition. DPDFmore » peak not seen in the snap-shot pair-density function is found at 2.3 Å, and is interpreted in terms of atomic tunnelling. The real space picture of dynamic atom–atom correlations presented here reveal characteristics of atomic dynamics not recognized so far, compelling yet another look at the phenomenon.« less

Observation of dynamic atom-atom correlation in liquid helium in real space

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

Dmowski, W.; Diallo, S. O.; Lokshin, K.

Liquid 4He becomes superfluid and flows without resistance below temperature 2.17 K. Superfluidity has been a subject of intense studies and notable advances were made in elucidating the phenomenon by experiment and theory. Nevertheless, details of the microscopic state, including dynamic atom–atom correlations in the superfluid state, are not fully understood. Here using a technique of neutron dynamic pair-density function (DPDF) analysis we show that 4He atoms in the Bose–Einstein condensate have environment significantly different from uncondensed atoms, with the interatomic distance larger than the average by about 10%, whereas the average structure changes little through the superfluid transition. DPDFmore » peak not seen in the snap-shot pair-density function is found at 2.3 Å, and is interpreted in terms of atomic tunnelling. The real space picture of dynamic atom–atom correlations presented here reveal characteristics of atomic dynamics not recognized so far, compelling yet another look at the phenomenon.« less

Observation of dynamic atom-atom correlation in liquid helium in real space.

PubMed

Dmowski, W; Diallo, S O; Lokshin, K; Ehlers, G; Ferré, G; Boronat, J; Egami, T

2017-05-04

Liquid 4 He becomes superfluid and flows without resistance below temperature 2.17 K. Superfluidity has been a subject of intense studies and notable advances were made in elucidating the phenomenon by experiment and theory. Nevertheless, details of the microscopic state, including dynamic atom-atom correlations in the superfluid state, are not fully understood. Here using a technique of neutron dynamic pair-density function (DPDF) analysis we show that 4 He atoms in the Bose-Einstein condensate have environment significantly different from uncondensed atoms, with the interatomic distance larger than the average by about 10%, whereas the average structure changes little through the superfluid transition. DPDF peak not seen in the snap-shot pair-density function is found at 2.3 Å, and is interpreted in terms of atomic tunnelling. The real space picture of dynamic atom-atom correlations presented here reveal characteristics of atomic dynamics not recognized so far, compelling yet another look at the phenomenon.

Branching dynamics of viral information spreading.

PubMed

Iribarren, José Luis; Moro, Esteban

2011-10-01

Despite its importance for rumors or innovations propagation, peer-to-peer collaboration, social networking, or marketing, the dynamics of information spreading is not well understood. Since the diffusion depends on the heterogeneous patterns of human behavior and is driven by the participants' decisions, its propagation dynamics shows surprising properties not explained by traditional epidemic or contagion models. Here we present a detailed analysis of our study of real viral marketing campaigns where tracking the propagation of a controlled message allowed us to analyze the structure and dynamics of a diffusion graph involving over 31,000 individuals. We found that information spreading displays a non-Markovian branching dynamics that can be modeled by a two-step Bellman-Harris branching process that generalizes the static models known in the literature and incorporates the high variability of human behavior. It explains accurately all the features of information propagation under the "tipping point" and can be used for prediction and management of viral information spreading processes.

Branching dynamics of viral information spreading

NASA Astrophysics Data System (ADS)

Iribarren, José Luis; Moro, Esteban

2011-10-01

Despite its importance for rumors or innovations propagation, peer-to-peer collaboration, social networking, or marketing, the dynamics of information spreading is not well understood. Since the diffusion depends on the heterogeneous patterns of human behavior and is driven by the participants’ decisions, its propagation dynamics shows surprising properties not explained by traditional epidemic or contagion models. Here we present a detailed analysis of our study of real viral marketing campaigns where tracking the propagation of a controlled message allowed us to analyze the structure and dynamics of a diffusion graph involving over 31 000 individuals. We found that information spreading displays a non-Markovian branching dynamics that can be modeled by a two-step Bellman-Harris branching process that generalizes the static models known in the literature and incorporates the high variability of human behavior. It explains accurately all the features of information propagation under the “tipping point” and can be used for prediction and management of viral information spreading processes.

International Space Station 2A Array Modal Analysis

NASA Technical Reports Server (NTRS)

Laible, Michael; Fitzpatrick, Kristin; Grygier, Michael

2012-01-01

On December 9th 2009, the International Space Station (ISS) 2A solar array mast experienced prolonged longeron shadowing during a Soyuz undocking. Analytical reconstruction of induced thermal and dynamic structural loads showed an exceedance of the mast buckling limit. Possible structural damage to the solar array mast could have occurred during this event. A Low fidelity video survey of the 2A mast showed no obvious damage of the mast longerons or battens. The decision was made to conduct an on-orbit dynamic test of the 2A array on December 18th, 2009. The test included thruster pluming on the array while photogrammetry data was recorded. The test was similar to other Dedicated Thruster Firings (DTFs) that were performed to measure structural frequency and damping of a solar array. Results of the DTF indicated lower frequency mast modes than model predictions, thus leading to speculation of mast damage. A detailed nonlinear analysis was performed on the 2A array model to assess possible solutions to modal differences. The setup of the parametric nonlinear trade study included the use of a detailed array model and the reduced mass and stiffness matrices of the entire ISS being applied to the array interface. The study revealed that the array attachment structure is nonlinear and thus was the source of error in the model prediction of mast modes. In addition, a detailed study was performed to determine mast mode sensitivity to mast longeron damage. This sensitivity study was performed to assess if the ISS program has sufficient instrumentation for mast damage detection.

Multi exposure image fusion algorithm based on YCbCr space

NASA Astrophysics Data System (ADS)

Yang, T. T.; Fang, P. Y.

2018-05-01

To solve the problem that scene details and visual effects are difficult to be optimized in high dynamic image synthesis, we proposes a multi exposure image fusion algorithm for processing low dynamic range images in YCbCr space, and weighted blending of luminance and chromatic aberration components respectively. The experimental results show that the method can retain color effect of the fused image while balancing details of the bright and dark regions of the high dynamic image.

Axisymmetric computational fluid dynamics analysis of a film/dump-cooled rocket nozzle plume

NASA Technical Reports Server (NTRS)

Tucker, P. K.; Warsi, S. A.

1993-01-01

Prediction of convective base heating rates for a new launch vehicle presents significant challenges to analysts concerned with base environments. The present effort seeks to augment classical base heating scaling techniques via a detailed investigation of the exhaust plume shear layer of a single H2/O2 Space Transportation Main Engine (STME). Use of fuel-rich turbine exhaust to cool the STME nozzle presented concerns regarding potential recirculation of these gases to the base region with attendant increase in the base heating rate. A pressure-based full Navier-Stokes computational fluid dynamics (CFD) code with finite rate chemistry is used to predict plumes for vehicle altitudes of 10 kft and 50 kft. Levels of combustible species within the plume shear layers are calculated in order to assess assumptions made in the base heating analysis.

An equation-free approach to agent-based computation: Bifurcation analysis and control of stationary states

NASA Astrophysics Data System (ADS)

Siettos, C. I.; Gear, C. W.; Kevrekidis, I. G.

2012-08-01

We show how the equation-free approach can be exploited to enable agent-based simulators to perform system-level computations such as bifurcation, stability analysis and controller design. We illustrate these tasks through an event-driven agent-based model describing the dynamic behaviour of many interacting investors in the presence of mimesis. Using short bursts of appropriately initialized runs of the detailed, agent-based simulator, we construct the coarse-grained bifurcation diagram of the (expected) density of agents and investigate the stability of its multiple solution branches. When the mimetic coupling between agents becomes strong enough, the stable stationary state loses its stability at a coarse turning point bifurcation. We also demonstrate how the framework can be used to design a wash-out dynamic controller that stabilizes open-loop unstable stationary states even under model uncertainty.

Virtual prototyping of drop test using explicit analysis

NASA Astrophysics Data System (ADS)

Todorov, Georgi; Kamberov, Konstantin

2017-12-01

Increased requirements for reliability and safety, included in contemporary standards and norms, has high impact over new product development. New numerical techniques based on virtual prototyping technology, facilitates imrpoving product development cycle, resutling in reduced time/money spent for this stage as well as increased knowledge about certain failure mechanism. So called "drop test" became nearly a "must" step in development of any human operated product. This study aims to demonstrate dynamic behaviour assessment of a structure under impact loads, based on virtual prototyping using a typical nonlinear analysis - explicit dynamics. An example is presneted, based on a plastic container that is used as cartridge for a dispenser machine exposed to various work conditions. Different drop orientations were analyzed and critical load cases and design weaknesses have been found. Several design modifications have been proposed, based on detailed analyses results review.

Sierra Structural Dynamics Theory Manual

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

Reese, Garth M.

Sierra/SD provides a massively parallel implementation of structural dynamics finite element analysis, required for high fidelity, validated models used in modal, vibration, static and shock analysis of structural systems. This manual describes the theory behind many of the constructs in Sierra/SD. For a more detailed description of how to use Sierra/SD , we refer the reader to Sierra/SD, User's Notes . Many of the constructs in Sierra/SD are pulled directly from published material. Where possible, these materials are referenced herein. However, certain functions in Sierra/SD are specific to our implementation. We try to be far more complete in those areas.more » The theory manual was developed from several sources including general notes, a programmer notes manual, the user's notes and of course the material in the open literature. This page intentionally left blank.« less

Dynamic and thermal analysis of high speed tapered roller bearings under combined loading

NASA Technical Reports Server (NTRS)

Crecelius, W. J.; Milke, D. R.

1973-01-01

The development of a computer program capable of predicting the thermal and kinetic performance of high-speed tapered roller bearings operating with fluid lubrication under applied axial, radial and moment loading (five degrees of freedom) is detailed. Various methods of applying lubrication can be considered as well as changes in bearing internal geometry which occur as the bearing is brought to operating speeds, loads and temperatures.

Automated method for relating regional pulmonary structure and function: integration of dynamic multislice CT and thin-slice high-resolution CT

NASA Astrophysics Data System (ADS)

Tajik, Jehangir K.; Kugelmass, Steven D.; Hoffman, Eric A.

1993-07-01

We have developed a method utilizing x-ray CT for relating pulmonary perfusion to global and regional anatomy, allowing for detailed study of structure to function relationships. A thick slice, high temporal resolution mode is used to follow a bolus contrast agent for blood flow evaluation and is fused with a high spatial resolution, thin slice mode to obtain structure- function detail. To aid analysis of blood flow, we have developed a software module, for our image analysis package (VIDA), to produce the combined structure-function image. Color coded images representing blood flow, mean transit time, regional tissue content, regional blood volume, regional air content, etc. are generated and imbedded in the high resolution volume image. A text file containing these values along with a voxel's 3-D coordinates is also generated. User input can be minimized to identifying the location of the pulmonary artery from which the input function to a blood flow model is derived. Any flow model utilizing one input and one output function can be easily added to a user selectable list. We present examples from our physiologic based research findings to demonstrate the strengths of combining dynamic CT and HRCT relative to other scanning modalities to uniquely characterize pulmonary normal and pathophysiology.

Direct numerical simulation of the flow around an aerofoil in ramp-up motion

NASA Astrophysics Data System (ADS)

Rosti, Marco E.; Omidyeganeh, Mohammad; Pinelli, Alfredo

2016-02-01

A detailed analysis of the flow around a NACA0020 aerofoil at Rec = 2 × 104 undergoing a ramp up motion has been carried out by means of direct numerical simulations. During the manoeuvre, the angle of attack is linearly varied in time between 0° and 20° with a constant rate of change of α ˙ rad = 0 . 12 U ∞ / c . When the angle of incidence has reached the final value, the lift experiences a first overshoot and then suddenly decreases towards the static stall asymptotic value. The transient instantaneous flow is dominated by the generation and detachment of the dynamic stall vortex, a large scale structure formed by the merging of smaller scales vortices generated by an instability originating at the trailing edge. New insights on the vorticity dynamics leading to the lift overshoot, lift crisis, and the damped oscillatory cycle that gradually matches the steady condition are discussed using a number of post-processing techniques. These include a detailed analysis of the flow ensemble average statistics and coherent structures identification carried out using the Q -criterion and the finite-time Lyapunov exponent technique. The results are compared with the one obtained in a companion simulation considering a static stall condition at the final angle of incidence α = 20°.

78 FR 64925 - Request for Comments on Proposed Elimination of Patents Search Templates

Federal Register 2010, 2011, 2012, 2013, 2014

2013-10-30

... is a detailed, collaborative, and dynamic system that will enable patent examiners and the public to... launched in January 2013. CPC is a detailed, dynamic classification system that is based on the IPC and... updating. Further, the USPTO launched a new classification system, the Cooperative Patent Classification...

Structure-guided Protein Transition Modeling with a Probabilistic Roadmap Algorithm.

PubMed

Maximova, Tatiana; Plaku, Erion; Shehu, Amarda

2016-07-07

Proteins are macromolecules in perpetual motion, switching between structural states to modulate their function. A detailed characterization of the precise yet complex relationship between protein structure, dynamics, and function requires elucidating transitions between functionally-relevant states. Doing so challenges both wet and dry laboratories, as protein dynamics involves disparate temporal scales. In this paper we present a novel, sampling-based algorithm to compute transition paths. The algorithm exploits two main ideas. First, it leverages known structures to initialize its search and define a reduced conformation space for rapid sampling. This is key to address the insufficient sampling issue suffered by sampling-based algorithms. Second, the algorithm embeds samples in a nearest-neighbor graph where transition paths can be efficiently computed via queries. The algorithm adapts the probabilistic roadmap framework that is popular in robot motion planning. In addition to efficiently computing lowest-cost paths between any given structures, the algorithm allows investigating hypotheses regarding the order of experimentally-known structures in a transition event. This novel contribution is likely to open up new venues of research. Detailed analysis is presented on multiple-basin proteins of relevance to human disease. Multiscaling and the AMBER ff14SB force field are used to obtain energetically-credible paths at atomistic detail.

Direct Observation of Cooperative Protein Structural Dynamics of Homodimeric Hemoglobin from 100 ps to 10 ms with Pump-Probe X-ray Solution Scattering

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

Kim, Kyung Hwan; Muniyappan, Srinivasan; Oang, Key Young

2012-05-29

Proteins serve as molecular machines in performing their biological functions, but the detailed structural transitions are difficult to observe in their native aqueous environments in real time. For example, despite extensive studies, the solution-phase structures of the intermediates along the allosteric pathways for the transitions between the relaxed (R) and tense (T) forms have been elusive. In this work, we employed picosecond X-ray solution scattering and novel structural analysis to track the details of the structural dynamics of wild-type homodimeric hemoglobin (HbI) from the clam Scapharca inaequivalvis and its F97Y mutant over a wide time range from 100 ps tomore » 56.2 ms. From kinetic analysis of the measured time-resolved X-ray solution scattering data, we identified three structurally distinct intermediates (I 1, I 2, and I 3) and their kinetic pathways common for both the wild type and the mutant. The data revealed that the singly liganded and unliganded forms of each intermediate share the same structure, providing direct evidence that the ligand photolysis of only a single subunit induces the same structural change as the complete photolysis of both subunits does. In addition, by applying novel structural analysis to the scattering data, we elucidated the detailed structural changes in the protein, including changes in the heme-heme distance, the quaternary rotation angle of subunits, and interfacial water gain/loss. The earliest, R-like I 1 intermediate is generated within 100 ps and transforms to the R-like I 2 intermediate with a time constant of 3.2 ± 0.2 ns. Subsequently, the late, T-like I 3 intermediate is formed via subunit rotation, a decrease in the heme-heme distance, and substantial gain of interfacial water and exhibits ligation-dependent formation kinetics with time constants of 730 ± 120 ns for the fully photolyzed form and 5.6 ± 0.8 μs for the partially photolyzed form. For the mutant, the overall kinetics are accelerated, and the formation of the T-like I 3 intermediate involves interfacial water loss (instead of water entry) and lacks the contraction of the heme-heme distance, thus underscoring the dramatic effect of the F97Y mutation. The ability to keep track of the detailed movements of the protein in aqueous solution in real time provides new insights into the protein structural dynamics.« less

Meta-T: TetrisⓇ as an experimental paradigm for cognitive skills research.

PubMed

Lindstedt, John K; Gray, Wayne D

2015-12-01

Studies of human performance in complex tasks using video games are an attractive prospect, but many existing games lack a comprehensive way to modify the game and track performance beyond basic levels of analysis. Meta-T provides experimenters a tool to study behavior in a dynamic task environment with time-stressed decision-making and strong perceptual-motor elements, offering a host of experimental manipulations with a robust and detailed logging system for all user events, system events, and screen objects. Its experimenter-friendly interface provides control over detailed parameters of the task environment without need for programming expertise. Support for eye-tracking and computational cognitive modeling extend the paradigm's scope.

Triple differential cross section measurements for the outer valence molecular orbitals (1t2) of a methane molecule at 250 eV electron impact

NASA Astrophysics Data System (ADS)

Işık, N.; Doğan, M.; Bahçeli, S.

2016-03-01

In this study, detailed experimental research of triple differential cross section (TDCS) measurements is performed to investigate single ionization dynamics for the 1t2 orbital of methane molecule by 250 eV electron impact. In our experiments, the outgoing electrons are simultaneously measured in coincidence in a coplanar asymmetric geometry with the scattering angles of 10° and 20°. Therefore, TDCS measurements are performed for two different values of momentum transfer (K ≈ 0.9 au and 1.5 au). A detailed analysis of the dependence of the TDCS versus the momentum transfer is reported here.

MI-Sim: A MATLAB package for the numerical analysis of microbial ecological interactions.

PubMed

Wade, Matthew J; Oakley, Jordan; Harbisher, Sophie; Parker, Nicholas G; Dolfing, Jan

2017-01-01

Food-webs and other classes of ecological network motifs, are a means of describing feeding relationships between consumers and producers in an ecosystem. They have application across scales where they differ only in the underlying characteristics of the organisms and substrates describing the system. Mathematical modelling, using mechanistic approaches to describe the dynamic behaviour and properties of the system through sets of ordinary differential equations, has been used extensively in ecology. Models allow simulation of the dynamics of the various motifs and their numerical analysis provides a greater understanding of the interplay between the system components and their intrinsic properties. We have developed the MI-Sim software for use with MATLAB to allow a rigorous and rapid numerical analysis of several common ecological motifs. MI-Sim contains a series of the most commonly used motifs such as cooperation, competition and predation. It does not require detailed knowledge of mathematical analytical techniques and is offered as a single graphical user interface containing all input and output options. The tools available in the current version of MI-Sim include model simulation, steady-state existence and stability analysis, and basin of attraction analysis. The software includes seven ecological interaction motifs and seven growth function models. Unlike other system analysis tools, MI-Sim is designed as a simple and user-friendly tool specific to ecological population type models, allowing for rapid assessment of their dynamical and behavioural properties.

CAVER 3.0: A Tool for the Analysis of Transport Pathways in Dynamic Protein Structures

PubMed Central

Strnad, Ondrej; Brezovsky, Jan; Kozlikova, Barbora; Gora, Artur; Sustr, Vilem; Klvana, Martin; Medek, Petr; Biedermannova, Lada; Sochor, Jiri; Damborsky, Jiri

2012-01-01

Tunnels and channels facilitate the transport of small molecules, ions and water solvent in a large variety of proteins. Characteristics of individual transport pathways, including their geometry, physico-chemical properties and dynamics are instrumental for understanding of structure-function relationships of these proteins, for the design of new inhibitors and construction of improved biocatalysts. CAVER is a software tool widely used for the identification and characterization of transport pathways in static macromolecular structures. Herein we present a new version of CAVER enabling automatic analysis of tunnels and channels in large ensembles of protein conformations. CAVER 3.0 implements new algorithms for the calculation and clustering of pathways. A trajectory from a molecular dynamics simulation serves as the typical input, while detailed characteristics and summary statistics of the time evolution of individual pathways are provided in the outputs. To illustrate the capabilities of CAVER 3.0, the tool was applied for the analysis of molecular dynamics simulation of the microbial enzyme haloalkane dehalogenase DhaA. CAVER 3.0 safely identified and reliably estimated the importance of all previously published DhaA tunnels, including the tunnels closed in DhaA crystal structures. Obtained results clearly demonstrate that analysis of molecular dynamics simulation is essential for the estimation of pathway characteristics and elucidation of the structural basis of the tunnel gating. CAVER 3.0 paves the way for the study of important biochemical phenomena in the area of molecular transport, molecular recognition and enzymatic catalysis. The software is freely available as a multiplatform command-line application at http://www.caver.cz. PMID:23093919

CAVER 3.0: a tool for the analysis of transport pathways in dynamic protein structures.

PubMed

Chovancova, Eva; Pavelka, Antonin; Benes, Petr; Strnad, Ondrej; Brezovsky, Jan; Kozlikova, Barbora; Gora, Artur; Sustr, Vilem; Klvana, Martin; Medek, Petr; Biedermannova, Lada; Sochor, Jiri; Damborsky, Jiri

2012-01-01

Tunnels and channels facilitate the transport of small molecules, ions and water solvent in a large variety of proteins. Characteristics of individual transport pathways, including their geometry, physico-chemical properties and dynamics are instrumental for understanding of structure-function relationships of these proteins, for the design of new inhibitors and construction of improved biocatalysts. CAVER is a software tool widely used for the identification and characterization of transport pathways in static macromolecular structures. Herein we present a new version of CAVER enabling automatic analysis of tunnels and channels in large ensembles of protein conformations. CAVER 3.0 implements new algorithms for the calculation and clustering of pathways. A trajectory from a molecular dynamics simulation serves as the typical input, while detailed characteristics and summary statistics of the time evolution of individual pathways are provided in the outputs. To illustrate the capabilities of CAVER 3.0, the tool was applied for the analysis of molecular dynamics simulation of the microbial enzyme haloalkane dehalogenase DhaA. CAVER 3.0 safely identified and reliably estimated the importance of all previously published DhaA tunnels, including the tunnels closed in DhaA crystal structures. Obtained results clearly demonstrate that analysis of molecular dynamics simulation is essential for the estimation of pathway characteristics and elucidation of the structural basis of the tunnel gating. CAVER 3.0 paves the way for the study of important biochemical phenomena in the area of molecular transport, molecular recognition and enzymatic catalysis. The software is freely available as a multiplatform command-line application at http://www.caver.cz.

Decrypting the structural, dynamic, and energetic basis of a monomeric kinesin interacting with a tubulin dimer in three ATPase states by all-atom molecular dynamics simulation.

PubMed

Chakraborty, Srirupa; Zheng, Wenjun

2015-01-27

We have employed molecular dynamics (MD) simulation to investigate, with atomic details, the structural dynamics and energetics of three major ATPase states (ADP, APO, and ATP state) of a human kinesin-1 monomer in complex with a tubulin dimer. Starting from a recently solved crystal structure of ATP-like kinesin-tubulin complex by the Knossow lab, we have used flexible fitting of cryo-electron-microscopy maps to construct new structural models of the kinesin-tubulin complex in APO and ATP state, and then conducted extensive MD simulations (total 400 ns for each state), followed by flexibility analysis, principal component analysis, hydrogen bond analysis, and binding free energy analysis. Our modeling and simulation have revealed key nucleotide-dependent changes in the structure and flexibility of the nucleotide-binding pocket (featuring a highly flexible and open switch I in APO state) and the tubulin-binding site, and allosterically coupled motions driving the APO to ATP transition. In addition, our binding free energy analysis has identified a set of key residues involved in kinesin-tubulin binding. On the basis of our simulation, we have attempted to address several outstanding issues in kinesin study, including the possible roles of β-sheet twist and neck linker docking in regulating nucleotide release and binding, the structural mechanism of ADP release, and possible extension and shortening of α4 helix during the ATPase cycle. This study has provided a comprehensive structural and dynamic picture of kinesin's major ATPase states, and offered promising targets for future mutational and functional studies to investigate the molecular mechanism of kinesin motors.

Expansion of epicyclic gear dynamic analysis program

NASA Technical Reports Server (NTRS)

Boyd, Linda Smith; Pike, James A.

1987-01-01

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

Direct optical detection of protein-ligand interactions.

PubMed

Gesellchen, Frank; Zimmermann, Bastian; Herberg, Friedrich W

2005-01-01

Direct optical detection provides an excellent means to investigate interactions of molecules in biological systems. The dynamic equilibria inherent to these systems can be described in greater detail by recording the kinetics of a biomolecular interaction. Optical biosensors allow direct detection of interaction patterns without the need for labeling. An overview covering several commercially available biosensors is given, with a focus on instruments based on surface plasmon resonance (SPR) and reflectometric interference spectroscopy (RIFS). Potential assay formats and experimental design, appropriate controls, and calibration procedures, especially when handling low molecular weight substances, are discussed. The single steps of an interaction analysis combined with practical tips for evaluation, data processing, and interpretation of kinetic data are described in detail. In a practical example, a step-by-step procedure for the analysis of a low molecular weight compound interaction with serum protein, determined on a commercial SPR sensor, is presented.

Guided SAR image despeckling with probabilistic non local weights

NASA Astrophysics Data System (ADS)

Gokul, Jithin; Nair, Madhu S.; Rajan, Jeny

2017-12-01

SAR images are generally corrupted by granular disturbances called speckle, which makes visual analysis and detail extraction a difficult task. Non Local despeckling techniques with probabilistic similarity has been a recent trend in SAR despeckling. To achieve effective speckle suppression without compromising detail preservation, we propose an improvement for the existing Generalized Guided Filter with Bayesian Non-Local Means (GGF-BNLM) method. The proposed method (Guided SAR Image Despeckling with Probabilistic Non Local Weights) replaces parametric constants based on heuristics in GGF-BNLM method with dynamically derived values based on the image statistics for weight computation. Proposed changes make GGF-BNLM method adaptive and as a result, significant improvement is achieved in terms of performance. Experimental analysis on SAR images shows excellent speckle reduction without compromising feature preservation when compared to GGF-BNLM method. Results are also compared with other state-of-the-art and classic SAR depseckling techniques to demonstrate the effectiveness of the proposed method.

Large explosive basaltic eruptions at Katla volcano, Iceland: Fragmentation, grain size and eruption dynamics

NASA Astrophysics Data System (ADS)

Schmith, Johanne; Höskuldsson, Ármann; Holm, Paul Martin; Larsen, Guðrún

2018-04-01

Katla volcano in Iceland produces hazardous large explosive basaltic eruptions on a regular basis, but very little quantitative data for future hazard assessments exist. Here details on fragmentation mechanism and eruption dynamics are derived from a study of deposit stratigraphy with detailed granulometry and grain morphology analysis, granulometric modeling, componentry and the new quantitative regularity index model of fragmentation mechanism. We show that magma/water interaction is important in the ash generation process, but to a variable extent. By investigating the large explosive basaltic eruptions from 1755 and 1625, we document that eruptions of similar size and magma geochemistry can have very different fragmentation dynamics. Our models show that fragmentation in the 1755 eruption was a combination of magmatic degassing and magma/water-interaction with the most magma/water-interaction at the beginning of the eruption. The fragmentation of the 1625 eruption was initially also a combination of both magmatic and phreatomagmatic processes, but magma/water-interaction diminished progressively during the later stages of the eruption. However, intense magma/water interaction was reintroduced during the final stages of the eruption dominating the fine fragmentation at the end. This detailed study of fragmentation changes documents that subglacial eruptions have highly variable interaction with the melt water showing that the amount and access to melt water changes significantly during eruptions. While it is often difficult to reconstruct the progression of eruptions that have no quantitative observational record, this study shows that integrating field observations and granulometry with the new regularity index can form a coherent model of eruption evolution.

Systematic comparison of the behaviors produced by computational models of epileptic neocortex.

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

Warlaumont, A. S.; Lee, H. C.; Benayoun, M.

2010-12-01

Two existing models of brain dynamics in epilepsy, one detailed (i.e., realistic) and one abstract (i.e., simplified) are compared in terms of behavioral range and match to in vitro mouse recordings. A new method is introduced for comparing across computational models that may have very different forms. First, high-level metrics were extracted from model and in vitro output time series. A principal components analysis was then performed over these metrics to obtain a reduced set of derived features. These features define a low-dimensional behavior space in which quantitative measures of behavioral range and degree of match to real data canmore » be obtained. The detailed and abstract models and the mouse recordings overlapped considerably in behavior space. Both the range of behaviors and similarity to mouse data were similar between the detailed and abstract models. When no high-level metrics were used and principal components analysis was computed over raw time series, the models overlapped minimally with the mouse recordings. The method introduced here is suitable for comparing across different kinds of model data and across real brain recordings. It appears that, despite differences in form and computational expense, detailed and abstract models do not necessarily differ in their behaviors.« less

Simultaneous measurement of temperature and emissivity of lunar regolith simulant using dual-channel millimeter-wave radiometry

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

McCloy, J. S.; Sundaram, S. K.; Matyas, J.

Millimeter wave (MMW) radiometry can be used for simultaneous measurement of emissivity and temperature of materials under extreme environments (high temperature, pressure, and corrosive environments). The state-of-the-art dual channel MMW passive radiometer with active interferometric capabilities at 137 GHz described here allows for radiometric measurements of sample temperature and emissivity up to at least 1600 °C with simultaneous measurement of sample surface dynamics. These capabilities have been used to demonstrate dynamic measurement of melting of powders of simulated lunar regolith and static measurement of emissivity of solid samples. The paper presents the theoretical background and basis for the dual-receiver system,more » describes the hardware in detail, and demonstrates the data analysis. Post-experiment analysis of emissivity versus temperature allows further extraction from the radiometric data of millimeter wave viewing beam coupling factors, which provide corroboratory evidence to the interferometric data of the process dynamics observed. Finally, these results show the promise of the MMW system for extracting quantitative and qualitative process parameters for industrial processes and access to real-time dynamics of materials behavior in extreme environments.« less

Nonlinear dynamic analysis of traveling wave-type ultrasonic motors.

PubMed

Nakagawa, Yosuke; Saito, Akira; Maeno, Takashi

2008-03-01

In this paper, nonlinear dynamic response of a traveling wave-type ultrasonic motor was investigated. In particular, understanding the transient dynamics of a bar-type ultrasonic motor, such as starting up and stopping, is of primary interest. First, the transient response of the bar-type ultrasonic motor at starting up and stopping was measured using a laser Doppler velocimeter, and its driving characteristics are discussed in detail. The motor is shown to possess amplitude-dependent nonlinearity that greatly influences the transient dynamics of the motor. Second, a dynamical model of the motor was constructed as a second-order nonlinear oscillator, which represents the dynamics of the piezoelectric ceramic, stator, and rotor. The model features nonlinearities caused by the frictional interface between the stator and the rotor, and cubic nonlinearity in the dynamics of the stator. Coulomb's friction model was employed for the interface model, and a stick-slip phenomenon is considered. Lastly, it was shown that the model is capable of representing the transient dynamics of the motor accurately. The critical parameters in the model were identified from measured results, and numerical simulations were conducted using the model with the identified parameters. Good agreement between the results of measurements and numerical simulations is observed.

Molecular dynamics simulations of large macromolecular complexes.

PubMed

Perilla, Juan R; Goh, Boon Chong; Cassidy, C Keith; Liu, Bo; Bernardi, Rafael C; Rudack, Till; Yu, Hang; Wu, Zhe; Schulten, Klaus

2015-04-01

Connecting dynamics to structural data from diverse experimental sources, molecular dynamics simulations permit the exploration of biological phenomena in unparalleled detail. Advances in simulations are moving the atomic resolution descriptions of biological systems into the million-to-billion atom regime, in which numerous cell functions reside. In this opinion, we review the progress, driven by large-scale molecular dynamics simulations, in the study of viruses, ribosomes, bioenergetic systems, and other diverse applications. These examples highlight the utility of molecular dynamics simulations in the critical task of relating atomic detail to the function of supramolecular complexes, a task that cannot be achieved by smaller-scale simulations or existing experimental approaches alone. Copyright © 2015 Elsevier Ltd. All rights reserved.

Conformational dynamics of dry lamellar crystals of sugar based lipids: an atomistic simulation study.

PubMed

ManickamAchari, Vijayan; Bryce, Richard A; Hashim, Rauzah

2014-01-01

The rational design of a glycolipid application (e.g. drug delivery) with a tailored property depends on the detailed understanding of its structure and dynamics. Because of the complexity of sugar stereochemistry, we have undertaken a simulation study on the conformational dynamics of a set of synthetic glycosides with different sugar groups and chain design, namely dodecyl β-maltoside, dodecyl β-cellobioside, dodecyl β-isomaltoside and a C12C10 branched β-maltoside under anhydrous conditions. We examined the chain structure in detail, including the chain packing, gauche/trans conformations and chain tilting. In addition, we also investigated the rotational dynamics of the headgroup and alkyl chains. Monoalkylated glycosides possess a small amount of gauche conformers (∼20%) in the hydrophobic region of the lamellar crystal (LC) phase. In contrast, the branched chain glycolipid in the fluid Lα phase has a high gauche population of up to ∼40%. Rotational diffusion analysis reveals that the carbons closest to the headgroup have the highest correlation times. Furthermore, its value depends on sugar type, where the rotational dynamics of an isomaltose was found to be 11-15% and more restrained near the sugar, possibly due to the chain disorder and partial inter-digitation compared to the other monoalkylated lipids. Intriguingly, the present simulation demonstrates the chain from the branched glycolipid bilayer has the ability to enter into the hydrophilic region. This interesting feature of the anhydrous glycolipid bilayer simulation appears to arise from a combination of lipid crowding and the amphoteric nature of the sugar headgroups.

Fractal analysis of GPS time series for early detection of disastrous seismic events

NASA Astrophysics Data System (ADS)

Filatov, Denis M.; Lyubushin, Alexey A.

2017-03-01

A new method of fractal analysis of time series for estimating the chaoticity of behaviour of open stochastic dynamical systems is developed. The method is a modification of the conventional detrended fluctuation analysis (DFA) technique. We start from analysing both methods from the physical point of view and demonstrate the difference between them which results in a higher accuracy of the new method compared to the conventional DFA. Then, applying the developed method to estimate the measure of chaoticity of a real dynamical system - the Earth's crust, we reveal that the latter exhibits two distinct mechanisms of transition to a critical state: while the first mechanism has already been known due to numerous studies of other dynamical systems, the second one is new and has not previously been described. Using GPS time series, we demonstrate efficiency of the developed method in identification of critical states of the Earth's crust. Finally we employ the method to solve a practically important task: we show how the developed measure of chaoticity can be used for early detection of disastrous seismic events and provide a detailed discussion of the numerical results, which are shown to be consistent with outcomes of other researches on the topic.

Numerical analysis of the dynamic interaction between wheel set and turnout crossing using the explicit finite element method

NASA Astrophysics Data System (ADS)

Xin, L.; Markine, V. L.; Shevtsov, I. Y.

2016-03-01

A three-dimensional (3-D) explicit dynamic finite element (FE) model is developed to simulate the impact of the wheel on the crossing nose. The model consists of a wheel set moving over the turnout crossing. Realistic wheel, wing rail and crossing geometries have been used in the model. Using this model the dynamic responses of the system such as the contact forces between the wheel and the crossing, crossing nose displacements and accelerations, stresses in rail material as well as in sleepers and ballast can be obtained. Detailed analysis of the wheel set and crossing interaction using the local contact stress state in the rail is possible as well, which provides a good basis for prediction of the long-term behaviour of the crossing (fatigue analysis). In order to tune and validate the FE model field measurements conducted on several turnouts in the railway network in the Netherlands are used here. The parametric study including variations of the crossing nose geometries performed here demonstrates the capabilities of the developed model. The results of the validation and parametric study are presented and discussed.

6DOF Testing of the SLS Inertial Navigation Unit

NASA Technical Reports Server (NTRS)

Geohagan, Kevin W.; Bernard, William P.; Oliver, T. Emerson; Strickland, Dennis J.; Leggett, Jared O.

2018-01-01

The Navigation System on the NASA Space Launch System (SLS) Block 1 vehicle performs initial alignment of the Inertial Navigation System (INS) navigation frame through gyrocompass alignment (GCA). In lieu of direct testing of GCA accuracy in support of requirement verification, the SLS Navigation Team proposed and conducted an engineering test to, among other things, validate the GCA performance and overall behavior of the SLS INS model through comparison with test data. This paper will detail dynamic hardware testing of the SLS INS, conducted by the SLS Navigation Team at Marshall Space Flight Center's 6DOF Table Facility, in support of GCA performance characterization and INS model validation. A 6-DOF motion platform was used to produce 6DOF pad twist and sway dynamics while a simulated SLS flight computer communicated with the INS. Tests conducted include an evaluation of GCA algorithm robustness to increasingly dynamic pad environments, an examination of GCA algorithm stability and accuracy over long durations, and a long-duration static test to gather enough data for Allan Variance analysis. Test setup, execution, and data analysis will be discussed, including analysis performed in support of SLS INS model validation.

Development of a CFD Code for Analysis of Fluid Dynamic Forces in Seals

NASA Technical Reports Server (NTRS)

Athavale, Mahesh M.; Przekwas, Andrzej J.; Singhal, Ashok K.

1991-01-01

The aim is to develop a 3-D computational fluid dynamics (CFD) code for the analysis of fluid flow in cylindrical seals and evaluation of the dynamic forces on the seals. This code is expected to serve as a scientific tool for detailed flow analysis as well as a check for the accuracy of the 2D industrial codes. The features necessary in the CFD code are outlined. The initial focus was to develop or modify and implement new techniques and physical models. These include collocated grid formulation, rotating coordinate frames and moving grid formulation. Other advanced numerical techniques include higher order spatial and temporal differencing and an efficient linear equation solver. These techniques were implemented in a 2D flow solver for initial testing. Several benchmark test cases were computed using the 2D code, and the results of these were compared to analytical solutions or experimental data to check the accuracy. Tests presented here include planar wedge flow, flow due to an enclosed rotor, and flow in a 2D seal with a whirling rotor. Comparisons between numerical and experimental results for an annular seal and a 7-cavity labyrinth seal are also included.

Influence of the R823W mutation on the interaction of the ANKS6-ANKS3: insights from molecular dynamics simulation and free energy analysis.

PubMed

Kan, Wei; Fang, Fengqin; Chen, Lin; Wang, Ruige; Deng, Qigang

2016-05-01

The sterile alpha motif (SAM) domain of the protein ANKS6, a protein-protein interaction domain, is responsible for autosomal dominant polycystic kidney disease. Although the disease is the result of the R823W point mutation in the SAM domain of the protein ANKS6, the molecular details are still unclear. We applied molecular dynamics simulations, the principal component analysis, and the molecular mechanics Poisson-Boltzmann surface area binding free energy calculation to explore the structural and dynamic effects of the R823W point mutation on the complex ANKS6-ANKS3 (PDB ID: 4NL9) in comparison to the wild proteins. The energetic analysis presents that the wild type has a more stable structure than the mutant. The R823W point mutation not only disrupts the structure of the ANKS6 SAM domain but also negatively affects the interaction of the ANKS6-ANKS3. These results further clarify the previous experiments to understand the ANKS6-ANKS3 interaction comprehensively. In summary, this study would provide useful suggestions to understand the interaction of these proteins and their fatal action on mediating kidney function.

Phase transition of the susceptible-infected-susceptible dynamics on time-varying configuration model networks

NASA Astrophysics Data System (ADS)

St-Onge, Guillaume; Young, Jean-Gabriel; Laurence, Edward; Murphy, Charles; Dubé, Louis J.

2018-02-01

We present a degree-based theoretical framework to study the susceptible-infected-susceptible (SIS) dynamics on time-varying (rewired) configuration model networks. Using this framework on a given degree distribution, we provide a detailed analysis of the stationary state using the rewiring rate to explore the whole range of the time variation of the structure relative to that of the SIS process. This analysis is suitable for the characterization of the phase transition and leads to three main contributions: (1) We obtain a self-consistent expression for the absorbing-state threshold, able to capture both collective and hub activation. (2) We recover the predictions of a number of existing approaches as limiting cases of our analysis, providing thereby a unifying point of view for the SIS dynamics on random networks. (3) We obtain bounds for the critical exponents of a number of quantities in the stationary state. This allows us to reinterpret the concept of hub-dominated phase transition. Within our framework, it appears as a heterogeneous critical phenomenon: observables for different degree classes have a different scaling with the infection rate. This phenomenon is followed by the successive activation of the degree classes beyond the epidemic threshold.

Evaluating the roles of detailed endocardial structures on right ventricular haemodynamics by means of CFD simulations.

PubMed

Sacco, Federica; Paun, Bruno; Lehmkuhl, Oriol; Iles, Tinen L; Iaizzo, Paul A; Houzeaux, Guillaume; Vázquez, Mariano; Butakoff, Constantine; Aguado-Sierra, Jazmin

2018-06-11

Computational modelling plays an important role in right ventricular (RV) haemodynamic analysis. However, current approaches employ smoothed ventricular anatomies. The aim of this study is to characterise RV haemodynamics including detailed endocardial structures like trabeculae, moderator band and papillary muscles (PMs). Four paired detailed and smoothed RV endocardium models (two male and two female) were reconstructed from ex-vivo human hearts high-resolution magnetic resonance images (MRI). Detailed models include structures with ≥1 mm 2 cross-sectional area. Haemodynamic characterisation was done by computational fluid dynamics (CFD) simulations with steady and transient inflows, using high performance computing (HPC). The differences between the flows in smoothed and detailed models were assessed using Q-criterion for vorticity quantification, the pressure drop between inlet and outlet, and the wall shear stress (WSS). Results demonstrated that detailed endocardial structures increase the degree of intra-ventricular pressure drop, decrease the WSS and disrupt the dominant vortex creating secondary small vortices. Increasingly turbulent blood flow was observed in the detailed RVs. Female RVs were less trabeculated and presented lower pressure drops than the males. In conclusion, neglecting endocardial structures in RV haemodynamic models may lead to inaccurate conclusions about the pressures, stresses, and blood flow behaviour in the cavity. This article is protected by copyright. All rights reserved.

Coherent fifth-order visible-infrared spectroscopies: ultrafast nonequilibrium vibrational dynamics in solution.

PubMed

Lynch, Michael S; Slenkamp, Karla M; Cheng, Mark; Khalil, Munira

2012-07-05

Obtaining a detailed description of photochemical reactions in solution requires measuring time-evolving structural dynamics of transient chemical species on ultrafast time scales. Time-resolved vibrational spectroscopies are sensitive probes of molecular structure and dynamics in solution. In this work, we develop doubly resonant fifth-order nonlinear visible-infrared spectroscopies to probe nonequilibrium vibrational dynamics among coupled high-frequency vibrations during an ultrafast charge transfer process using a heterodyne detection scheme. The method enables the simultaneous collection of third- and fifth-order signals, which respectively measure vibrational dynamics occurring on electronic ground and excited states on a femtosecond time scale. Our data collection and analysis strategy allows transient dispersed vibrational echo (t-DVE) and dispersed pump-probe (t-DPP) spectra to be extracted as a function of electronic and vibrational population periods with high signal-to-noise ratio (S/N > 25). We discuss how fifth-order experiments can measure (i) time-dependent anharmonic vibrational couplings, (ii) nonequilibrium frequency-frequency correlation functions, (iii) incoherent and coherent vibrational relaxation and transfer dynamics, and (iv) coherent vibrational and electronic (vibronic) coupling as a function of a photochemical reaction.

Dynamic modeling of moment wheel assemblies with nonlinear rolling bearing supports

NASA Astrophysics Data System (ADS)

Wang, Hong; Han, Qinkai; Luo, Ruizhi; Qing, Tao

2017-10-01

Moment wheel assemblies (MWA) have been widely used in spacecraft attitude control and large angle slewing maneuvers over the years. Understanding and controlling vibration of MWAs is a crucial factor to achieving the desired level of payload performance. Dynamic modeling of a MWA with nonlinear rolling bearing supports is conducted. An improved load distribution analysis is proposed to more accurately obtain the contact deformations and angles between the rolling balls and raceways. Then, the bearing restoring forces are then obtained through iteratively solving the load distribution equations at every time step. The effects of preload condition, surface waviness, Hertz contact and elastohydrodynamic lubrication could all be reflected in the nonlinear bearing forces. Considering the mass imbalances of the flywheel, flexibility of supporting structures and rolling bearing nonlinearity, the dynamic model of a typical MWA is established based upon the energy theorem. Dynamic tests are conducted to verify the nonlinear dynamic model. The influences of flywheel mass eccentricity and inner/outer waviness amplitudes on the dynamic responses are discussed in detail. The obtained results would be useful for the design and vibration control of the MWA system.

Resolution dependence of cross-tropopause ozone transport over east Asia

NASA Astrophysics Data System (ADS)

Büker, M. L.; Hitchman, Matthew H.; Tripoli, Gregory J.; Pierce, R. B.; Browell, E. V.; Avery, M. A.

2005-02-01

Detailed analysis of mesoscale transport of ozone across the tropopause over east Asia during the spring of 2001 is conducted using regional simulations with the University of Wisconsin Nonhydrostatic Modeling System (UWNMS), in situ flight data, and a new two-scale approach to diagnosing this ozone flux. From late February to early April, synoptic activity regularly deformed the tropopause, leading to observations of ozone-rich (concentration exceeding 80 ppbv) stratospheric intrusions and filaments at tropospheric altitudes. Since model resolution is generally not sufficient to capture detailed small-scale mixing processes, an upper bound on the flux is proposed by assuming that there exists a dynamical division by spatial scale, above which the wind conservatively advects large-scale structures, while below it the wind leads to irreversible transport through nonconservative random strain. A formulation for this diagnosis is given and applied to ozone flux across the dynamical tropopause. Simulations were chosen to correspond with DC-8 flight 15 on 26-27 March over east Asia during the Transport and Chemical Evolution Over the Pacific (TRACE-P) campaign. Local and domain-averaged flux values using this method agree with other numerical and observational studies in similar synoptic environments. Sensitivity to numerical resolution, prescribed divisional spatial scale, and potential vorticity (PV) level is investigated. Divergent residual flow in regions of high ozone, and PV gradients tended to maximize flux magnitudes. We estimated the domain-integrated flow of ozone out of the lowermost stratosphere to be about 0.127 Tg/day. Spectral analysis of the wind field lends support for utilization of this dynamical division in this methodology.

De-biasing the dynamic mode decomposition for applied Koopman spectral analysis of noisy datasets

NASA Astrophysics Data System (ADS)

Hemati, Maziar S.; Rowley, Clarence W.; Deem, Eric A.; Cattafesta, Louis N.

2017-08-01

The dynamic mode decomposition (DMD)—a popular method for performing data-driven Koopman spectral analysis—has gained increased popularity for extracting dynamically meaningful spatiotemporal descriptions of fluid flows from snapshot measurements. Often times, DMD descriptions can be used for predictive purposes as well, which enables informed decision-making based on DMD model forecasts. Despite its widespread use and utility, DMD can fail to yield accurate dynamical descriptions when the measured snapshot data are imprecise due to, e.g., sensor noise. Here, we express DMD as a two-stage algorithm in order to isolate a source of systematic error. We show that DMD's first stage, a subspace projection step, systematically introduces bias errors by processing snapshots asymmetrically. To remove this systematic error, we propose utilizing an augmented snapshot matrix in a subspace projection step, as in problems of total least-squares, in order to account for the error present in all snapshots. The resulting unbiased and noise-aware total DMD (TDMD) formulation reduces to standard DMD in the absence of snapshot errors, while the two-stage perspective generalizes the de-biasing framework to other related methods as well. TDMD's performance is demonstrated in numerical and experimental fluids examples. In particular, in the analysis of time-resolved particle image velocimetry data for a separated flow, TDMD outperforms standard DMD by providing dynamical interpretations that are consistent with alternative analysis techniques. Further, TDMD extracts modes that reveal detailed spatial structures missed by standard DMD.

The twilight of the training analysis system.

PubMed

Kernberg, Otto F

2014-04-01

This paper briefly reviews challenges to psychoanalysis at this time, including those derived from both external, societal origins and internal psychoanalytic problems. It focuses attention on serious conflicts around psychoanalytic education, and refers to the training analysis system as a central problem determining fundamental constraints on present-day psychoanalytic education. These constraints are examined in some detail, and the general advantages and disadvantages of the training analysis system are outlined. The effects of all these dynamics on the administrative organization of the American Psychoanalytic Association are explored, and a proposal for a fundamental reorganization of our educational system to resolve the correspondent problems is outlined.

Analysis and test of low profile aluminum aerospace tank dome

NASA Astrophysics Data System (ADS)

Ahmed, R.; Wilhelm, J. M.

1993-12-01

In order to increase the structural performance of cryogenic tanks, the aerospace industry is beginning to employ low-profile bulkheads in new generation launch vehicle designs. This report details the analysis and test of one such dome made from 2219 aluminum. Such domes have two potential failure modes under internal pressure, general tensile failure and hoop compression buckling (in regions near the equator). The test determined the buckling load and ultimate tensile load of the hardware and showed that both compared well with the analysis predictions. This effort was conducted under the auspices of NASA and the General Dynamics Cryogenic Tank Technology Program (CTTP).

Analysis and test of low profile aluminum aerospace tank dome

NASA Technical Reports Server (NTRS)

Ahmed, R.; Wilhelm, J. M.

1993-01-01

In order to increase the structural performance of cryogenic tanks, the aerospace industry is beginning to employ low-profile bulkheads in new generation launch vehicle designs. This report details the analysis and test of one such dome made from 2219 aluminum. Such domes have two potential failure modes under internal pressure, general tensile failure and hoop compression buckling (in regions near the equator). The test determined the buckling load and ultimate tensile load of the hardware and showed that both compared well with the analysis predictions. This effort was conducted under the auspices of NASA and the General Dynamics Cryogenic Tank Technology Program (CTTP).

Dynamics and causalities of atmospheric and oceanic data identified by complex networks and Granger causality analysis

NASA Astrophysics Data System (ADS)

Charakopoulos, A. K.; Katsouli, G. A.; Karakasidis, T. E.

2018-04-01

Understanding the underlying processes and extracting detailed characteristics of spatiotemporal dynamics of ocean and atmosphere as well as their interaction is of significant interest and has not been well thoroughly established. The purpose of this study was to examine the performance of two main additional methodologies for the identification of spatiotemporal underlying dynamic characteristics and patterns among atmospheric and oceanic variables from Seawatch buoys from Aegean and Ionian Sea, provided by the Hellenic Center for Marine Research (HCMR). The first approach involves the estimation of cross correlation analysis in an attempt to investigate time-lagged relationships, and further in order to identify the direction of interactions between the variables we performed the Granger causality method. According to the second approach the time series are converted into complex networks and then the main topological network properties such as degree distribution, average path length, diameter, modularity and clustering coefficient are evaluated. Our results show that the proposed analysis of complex network analysis of time series can lead to the extraction of hidden spatiotemporal characteristics. Also our findings indicate high level of positive and negative correlations and causalities among variables, both from the same buoy and also between buoys from different stations, which cannot be determined from the use of simple statistical measures.

Mitochondrial dynamics and optical conformation changes in DsRed as studied by Fourier imaging correlation spectroscopy

NASA Astrophysics Data System (ADS)

Senning, Eric Nicolas

Novel experiments that probe the dynamics of intracellular species, including the center-of-mass displacements and internal conformational transitions of biological macromolecules, have the potential to reveal the complex biochemical mechanisms operating within the cell. This work presents the implementation and development of Fourier imaging correlation spectroscopy (FICS), a phase-selective approach to fluorescence spectroscopy that measures the collective coordinate fluctuations of fluorescently labeled microscopic particles. In FICS experiments, a spatially modulated optical grating excites a fluorescently labeled sample. Phase-synchronous detection of the fluorescence, with respect to the phase of the exciting optical grating, can be used to monitor the fluctuations of partially averaged spatial coordinates. These data are then analyzed by two-point and four-point time correlation functions to provide a statistically meaningful understanding of the dynamics under observation. FICS represents a unique route to elevate signal levels, while acquiring detailed information about molecular coordinate trajectories. Mitochondria of mammalian cells are known to associate with cytoskeletal proteins, and their motions are affected by the stability of microtubules and microfilaments. Within the cell it is possible to fluorescently label the mitochondria and study its dynamic behavior with FICS. The dynamics of S. cerevisiae yeast mitochondria are characterized at four discrete length scales (ranging from 0.6--1.19 mum) and provide detailed information about the influence of specific cytoskeletal elements. Using the microtubule and microfilament destabilizing agents, Nocodazole and Latrunculin A, it is determined that microfilaments are required for normal yeast mitochondrial motion while microtubules have no effect. Experiments with specific actin mutants revealed that actin is responsible for enhanced mobility on length scales greater than 0.6 mum. The versatility of FICS expands when individual molecules are labeled with fluorescent chromophores. In recent experiments on the tetrameric fluorescent protein DsRed, polarization-modulated FICS (PM-FICS) is demonstrated to separate conformational dynamics from molecular translational dynamics. The optical switching pathways of DsRed, a tetrameric complex of fluorescent protein subunits, are examined. An analysis of PM-FICS coordinate trajectories, in terms of 2D spectra and joint probability distributions, provides detailed information about the transition pathways between distinct dipole-coupled DsRed conformations. This dissertation includes co-authored and previously published material.

Characterization of the glass transition of water predicted by molecular dynamics simulations using nonpolarizable intermolecular potentials.

PubMed

Kreck, Cara A; Mancera, Ricardo L

2014-02-20

Molecular dynamics simulations allow detailed study of the experimentally inaccessible liquid state of supercooled water below its homogeneous nucleation temperature and the characterization of the glass transition. Simple, nonpolarizable intermolecular potentials are commonly used in classical molecular dynamics simulations of water and aqueous systems due to their lower computational cost and their ability to reproduce a wide range of properties. Because the quality of these predictions varies between the potentials, the predicted glass transition of water is likely to be influenced by the choice of potential. We have thus conducted an extensive comparative investigation of various three-, four-, five-, and six-point water potentials in both the NPT and NVT ensembles. The T(g) predicted from NPT simulations is strongly correlated with the temperature of minimum density, whereas the maximum in the heat capacity plot corresponds to the minimum in the thermal expansion coefficient. In the NVT ensemble, these points are instead related to the maximum in the internal pressure and the minimum of its derivative, respectively. A detailed analysis of the hydrogen-bonding properties at the glass transition reveals that the extent of hydrogen-bonds lost upon the melting of the glassy state is related to the height of the heat capacity peak and varies between water potentials.

Free energy landscape of a minimalist salt bridge model.

PubMed

Li, Xubin; Lv, Chao; Corbett, Karen M; Zheng, Lianqing; Wu, Dongsheng; Yang, Wei

2016-01-01

Salt bridges are essential to protein stability and dynamics. Despite the importance, there has been scarce of detailed discussion on how salt bridge partners interact with each other in distinct solvent exposed environments. In this study, employing a recent generalized orthogonal space tempering (gOST) method, we enabled efficient molecular dynamics simulation of repetitive breaking and reforming of salt bridge structures within a minimalist salt-bridge model, the Asp-Arg dipeptide and thereby were able to map its detailed free energy landscape in aqueous solution. Free energy surface analysis shows that although individually-solvated states are more favorable, salt-bridge states still occupy a noticeable portion of the overall population. Notably, the competing forces, e.g. intercharge attractions that drive the formation of salt bridges and solvation forces that pull the charged groups away from each other, are energetically comparable. As the result, the salt bridge stability is highly tunable by local environments; for instance when local water molecules are perturbed to interact more strongly with each other, the population of the salt-bridge states is likely to increase. Our results reveal the critical role of local solvent structures in modulating salt-bridge partner interactions and imply the importance of water fluctuations on conformational dynamics that involves solvent accessible salt bridge formations. © 2015 The Protein Society.

Largescale Long-term particle Simulations of Runaway electrons in Tokamaks

NASA Astrophysics Data System (ADS)

Liu, Jian; Qin, Hong; Wang, Yulei

2016-10-01

To understand runaway dynamical behavior is crucial to assess the safety of tokamaks. Though many important analytical and numerical results have been achieved, the overall dynamic behaviors of runaway electrons in a realistic tokamak configuration is still rather vague. In this work, the secular full-orbit simulations of runaway electrons are carried out based on a relativistic volume-preserving algorithm. Detailed phase-space behaviors of runaway electrons are investigated in different timescales spanning 11 orders. A detailed analysis of the collisionless neoclassical scattering is provided when considering the coupling between the rotation of momentum vector and the background field. In large timescale, the initial condition of runaway electrons in phase space globally influences the runaway distribution. It is discovered that parameters and field configuration of tokamaks can modify the runaway electron dynamics significantly. Simulations on 10 million cores of supercomputer using the APT code have been completed. A resolution of 107 in phase space is used, and simulations are performed for 1011 time steps. Largescale simulations show that in a realistic fusion reactor, the concern of runaway electrons is not as serious as previously thought. This research was supported by National Magnetic Connement Fusion Energy Research Project (2015GB111003, 2014GB124005), the National Natural Science Foundation of China (NSFC-11575185, 11575186) and the GeoAlgorithmic Plasma Simulator (GAPS) Project.

Integration of GIS and Bim for Indoor Geovisual Analytics

NASA Astrophysics Data System (ADS)

Wu, B.; Zhang, S.

2016-06-01

This paper presents an endeavour of integration of GIS (Geographical Information System) and BIM (Building Information Modelling) for indoor geovisual analytics. The merits of two types of technologies, GIS and BIM are firstly analysed in the context of indoor environment. GIS has well-developed capabilities of spatial analysis such as network analysis, while BIM has the advantages for indoor 3D modelling and dynamic simulation. This paper firstly investigates the important aspects for integrating GIS and BIM. Different data standards and formats such as the IFC (Industry Foundation Classes) and GML (Geography Markup Language) are discussed. Their merits and limitations in data transformation between GIS and BIM are analysed in terms of semantic and geometric information. An optimized approach for data exchange between GIS and BIM datasets is then proposed. After that, a strategy of using BIM for 3D indoor modelling, GIS for spatial analysis, and BIM again for visualization and dynamic simulation of the analysis results is presented. Based on the developments, this paper selects a typical problem, optimized indoor emergency evacuation, to demonstrate the integration of GIS and BIM for indoor geovisual analytics. The block Z of the Hong Kong Polytechnic University is selected as a test site. Detailed indoor and outdoor 3D models of the block Z are created using a BIM software Revit. The 3D models are transferred to a GIS software ArcGIS to carry out spatial analysis. Optimized evacuation plans considering dynamic constraints are generated based on network analysis in ArcGIS assuming there is a fire accident inside the building. The analysis results are then transferred back to BIM software for visualization and dynamic simulation. The developed methods and results are of significance to facilitate future development of GIS and BIM integrated solutions in various applications.

Can a simple dynamical system describe the interplay between drag and buoyancy in terrain-induced canopy flows?

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

De Roo, Frederik; Banerjee, Tirtha

Under non-neutral stratification and in the presence of topography the dynamics of turbulent flow within a canopy is not yet completely understood. This has, among others, serious implications for the measurement of surface – atmosphere exchange by means of eddy-covariance: for example the measurement of carbon dioxide fluxes are strongly influenced if drainage flows occur during night, when the flow within the canopy decouples from the flow aloft. An improved physical understanding of the behavior of scalars under canopy turbulence in complex terrain is urgently needed. In the present work, we investigate the dynamics of turbulent flow within sloped canopies,more » focusing on the slope wind and potential temperature. We concentrate on the presence of oscillatory behavior in the flow variables in terms of switching of flow regimes by conducting linear stability analysis. We revisit and correct the simplified theory that exists in the literature, which is based on the interplay between the drag force and the buoyancy. We find that the simplified description of this dynamical system cannot exhibit the observed richness of the dynamics. To augment the simplified dynamical system’s analysis, we make use of large-eddy simulation of a three-dimensional hill covered by a homogeneous forest and analyze the phase synchronization behavior of the buoyancy and drag forces in the momentum budget to explore the turbulent dynamics in more detail.« less

Can a simple dynamical system describe the interplay between drag and buoyancy in terrain-induced canopy flows?

DOE PAGES

De Roo, Frederik; Banerjee, Tirtha

2018-02-23

Under non-neutral stratification and in the presence of topography the dynamics of turbulent flow within a canopy is not yet completely understood. This has, among others, serious implications for the measurement of surface – atmosphere exchange by means of eddy-covariance: for example the measurement of carbon dioxide fluxes are strongly influenced if drainage flows occur during night, when the flow within the canopy decouples from the flow aloft. An improved physical understanding of the behavior of scalars under canopy turbulence in complex terrain is urgently needed. In the present work, we investigate the dynamics of turbulent flow within sloped canopies,more » focusing on the slope wind and potential temperature. We concentrate on the presence of oscillatory behavior in the flow variables in terms of switching of flow regimes by conducting linear stability analysis. We revisit and correct the simplified theory that exists in the literature, which is based on the interplay between the drag force and the buoyancy. We find that the simplified description of this dynamical system cannot exhibit the observed richness of the dynamics. To augment the simplified dynamical system’s analysis, we make use of large-eddy simulation of a three-dimensional hill covered by a homogeneous forest and analyze the phase synchronization behavior of the buoyancy and drag forces in the momentum budget to explore the turbulent dynamics in more detail.« less

Land-Sea-Atmosphere Interaction and Their Association with Drought Conditions

NASA Astrophysics Data System (ADS)

Singh, R. P.; Nath, A.

2017-12-01

Detailed analysis of satellite data for the period 2002-2016 provides an understanding of the land-sea interaction and its association with the vegetation conditions over the Indian continent. The Indian Ocean dipole (IOD) phenomenon is also considered to understand the atmospheric dynamics and meteorological parameters. GPS water vapor and meteorological parameters (relative humidity and water vapor) from the Indian Institute of Science (IISC) Bangalore have been considered for meteorological data for the period 2008-2016. Atmospheric parameters (water vapor, precipitation rate, land temperature, total ozone column) have been considered using through NASA Giovanni portal and GPS water vapor through SoumiNet data to study relation between Sea Surface temperature (SST) from Indian Ocean, Bay of Bengal and Arabian Sea. Our detailed analysis shows that SST has strong impact on the NDVI at different locations, the maximum impact of SST is observed at lower latitudes. The NDVI over the central and northern India (Indo-Gangetic plains (IGP) is not affected. The SST and NDVI shows high correlation in the central and northern parts, whereas the correlation is poor in the southern parts i.e. close to the ocean. The detailed analysis of NDVI data provides progression of the drought conditions especially in the southern parts of India and also shows impact of the El Nino during 2015-2016.

Reconstruction of an Immune Dynamic Model to Simulate the Contrasting Role of Auxin and Cytokinin in Plant Immunity.

PubMed

Kaltdorf, Martin; Dandekar, Thomas; Naseem, Muhammad

2017-01-01

In order to increase our understanding of biological dependencies in plant immune signaling pathways, the known interactions involved in plant immune networks are modeled. This allows computational analysis to predict the functions of growth related hormones in plant-pathogen interaction. The SQUAD (Standardized Qualitative Dynamical Systems) algorithm first determines stable system states in the network and then use them to compute continuous dynamical system states. Our reconstructed Boolean model encompassing hormone immune networks of Arabidopsis thaliana (Arabidopsis) and pathogenicity factors injected by model pathogen Pseudomonas syringae pv. tomato DC3000 (Pst DC3000) can be exploited to determine the impact of growth hormones in plant immunity. We describe a detailed working protocol how to use the modified SQUAD-package by exemplifying the contrasting effects of auxin and cytokinins in shaping plant-pathogen interaction.

Discharge dynamics and plasma density recovery by on/off switches of additional gas

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

Lee, Hyo-Chang, E-mail: lhc@kriss.re.kr; Department of Electrical Engineering, Hanyang University, 222 Wangsimni-ro, Seongdong-gu, Seoul 04763; Kwon, Deuk-Chul

2016-06-15

Measurement of the plasma density is investigated to study plasma dynamics by adding reactive gas (O{sub 2}) or rare gas (He) in Ar plasmas. When the O{sub 2} or He gas is added, plasma density is suddenly decreased, while the plasma density recovers slowly with gas off. It is found that the recovery time is strongly dependent on the gas flow rate, and it can be explained by effect of gas residence time. When the He gas is off in the Ar plasma, the plasma density is overshot compared to the case of the O{sub 2} gas pulsing due tomore » enhanced ionizations by metastable atoms. Analysis and calculation for correlation between the plasma density dynamics and the gas pulsing are also presented in detail.« less

On the mathematical modeling of soccer dynamics

NASA Astrophysics Data System (ADS)

Machado, J. A. Tenreiro; Lopes, António M.

2017-12-01

This paper addresses the modeling and dynamical analysis of soccer teams. Two modeling perspectives based on the concepts of fractional calculus are adopted. In the first, the power law behavior and fractional-order integration are explored. In the second, a league season is interpreted in the light of a system where the teams are represented by objects (particles) that evolve in time and interact (collide) at successive rounds with dynamics driven by the outcomes of the matches. The two proposed models embed implicitly details of players and coaches, or strategical and tactical maneuvers during the matches. Therefore, the scale of observation focuses on the teams behavior in the scope of the observed variables. Data characterizing two European soccer leagues in the season 2015-2016 are adopted and processed. The model leads to the emergence of patterns that are analyzed and interpreted.

Graph-based analysis of kinetics on multidimensional potential-energy surfaces.

PubMed

Okushima, T; Niiyama, T; Ikeda, K S; Shimizu, Y

2009-09-01

The aim of this paper is twofold: one is to give a detailed description of an alternative graph-based analysis method, which we call saddle connectivity graph, for analyzing the global topography and the dynamical properties of many-dimensional potential-energy landscapes and the other is to give examples of applications of this method in the analysis of the kinetics of realistic systems. A Dijkstra-type shortest path algorithm is proposed to extract dynamically dominant transition pathways by kinetically defining transition costs. The applicability of this approach is first confirmed by an illustrative example of a low-dimensional random potential. We then show that a coarse-graining procedure tailored for saddle connectivity graphs can be used to obtain the kinetic properties of 13- and 38-atom Lennard-Jones clusters. The coarse-graining method not only reduces the complexity of the graphs, but also, with iterative use, reveals a self-similar hierarchical structure in these clusters. We also propose that the self-similarity is common to many-atom Lennard-Jones clusters.

JGromacs: a Java package for analyzing protein simulations.

PubMed

Münz, Márton; Biggin, Philip C

2012-01-23

In this paper, we introduce JGromacs, a Java API (Application Programming Interface) that facilitates the development of cross-platform data analysis applications for Molecular Dynamics (MD) simulations. The API supports parsing and writing file formats applied by GROMACS (GROningen MAchine for Chemical Simulations), one of the most widely used MD simulation packages. JGromacs builds on the strengths of object-oriented programming in Java by providing a multilevel object-oriented representation of simulation data to integrate and interconvert sequence, structure, and dynamics information. The easy-to-learn, easy-to-use, and easy-to-extend framework is intended to simplify and accelerate the implementation and development of complex data analysis algorithms. Furthermore, a basic analysis toolkit is included in the package. The programmer is also provided with simple tools (e.g., XML-based configuration) to create applications with a user interface resembling the command-line interface of GROMACS applications. JGromacs and detailed documentation is freely available from http://sbcb.bioch.ox.ac.uk/jgromacs under a GPLv3 license .

Spectrum of the Laplace-Beltrami operator and the phase structure of causal dynamical triangulations

NASA Astrophysics Data System (ADS)

Clemente, Giuseppe; D'Elia, Massimo

2018-06-01

We propose a new method to characterize the different phases observed in the nonperturbative numerical approach to quantum gravity known as causal dynamical triangulations. The method is based on the analysis of the eigenvalues and the eigenvectors of the Laplace-Beltrami operator computed on the triangulations: it generalizes previous works based on the analysis of diffusive processes and proves capable of providing more detailed information on the geometric properties of the triangulations. In particular, we apply the method to the analysis of spatial slices, showing that the different phases can be characterized by a new order parameter related to the presence or absence of a gap in the spectrum of the Laplace-Beltrami operator, and deriving an effective dimensionality of the slices at the different scales. We also propose quantities derived from the spectrum that could be used to monitor the running to the continuum limit around a suitable critical point in the phase diagram, if any is found.

EMD-Based Symbolic Dynamic Analysis for the Recognition of Human and Nonhuman Pyroelectric Infrared Signals.

PubMed

Zhao, Jiaduo; Gong, Weiguo; Tang, Yuzhen; Li, Weihong

2016-01-20

In this paper, we propose an effective human and nonhuman pyroelectric infrared (PIR) signal recognition method to reduce PIR detector false alarms. First, using the mathematical model of the PIR detector, we analyze the physical characteristics of the human and nonhuman PIR signals; second, based on the analysis results, we propose an empirical mode decomposition (EMD)-based symbolic dynamic analysis method for the recognition of human and nonhuman PIR signals. In the proposed method, first, we extract the detailed features of a PIR signal into five symbol sequences using an EMD-based symbolization method, then, we generate five feature descriptors for each PIR signal through constructing five probabilistic finite state automata with the symbol sequences. Finally, we use a weighted voting classification strategy to classify the PIR signals with their feature descriptors. Comparative experiments show that the proposed method can effectively classify the human and nonhuman PIR signals and reduce PIR detector's false alarms.

Digital signal processing for velocity measurements in dynamical material's behaviour studies.

PubMed

Devlaminck, Julien; Luc, Jérôme; Chanal, Pierre-Yves

2014-03-01

In this work, we describe different configurations of optical fiber interferometers (types Michelson and Mach-Zehnder) used to measure velocities during dynamical material's behaviour studies. We detail the algorithms of processing developed and optimized to improve the performance of these interferometers especially in terms of time and frequency resolutions. Three methods of analysis of interferometric signals were studied. For Michelson interferometers, the time-frequency analysis of signals by Short-Time Fourier Transform (STFT) is compared to a time-frequency analysis by Continuous Wavelet Transform (CWT). The results have shown that the CWT was more suitable than the STFT for signals with low signal-to-noise, and low velocity and high acceleration areas. For Mach-Zehnder interferometers, the measurement is carried out by analyzing the phase shift between three interferometric signals (Triature processing). These three methods of digital signal processing were evaluated, their measurement uncertainties estimated, and their restrictions or operational limitations specified from experimental results performed on a pulsed power machine.

Generalized Support Software: Domain Analysis and Implementation

NASA Technical Reports Server (NTRS)

Stark, Mike; Seidewitz, Ed

1995-01-01

For the past five years, the Flight Dynamics Division (FDD) at NASA's Goddard Space Flight Center has been carrying out a detailed domain analysis effort and is now beginning to implement Generalized Support Software (GSS) based on this analysis. GSS is part of the larger Flight Dynamics Distributed System (FDDS), and is designed to run under the FDDS User Interface / Executive (UIX). The FDD is transitioning from a mainframe based environment to systems running on engineering workstations. The GSS will be a library of highly reusable components that may be configured within the standard FDDS architecture to quickly produce low-cost satellite ground support systems. The estimates for the first release is that this library will contain approximately 200,000 lines of code. The main driver for developing generalized software is development cost and schedule improvement. The goal is to ultimately have at least 80 percent of all software required for a spacecraft mission (within the domain supported by the GSS) to be configured from the generalized components.

Material and morphology parameter sensitivity analysis in particulate composite materials

NASA Astrophysics Data System (ADS)

Zhang, Xiaoyu; Oskay, Caglar

2017-12-01

This manuscript presents a novel parameter sensitivity analysis framework for damage and failure modeling of particulate composite materials subjected to dynamic loading. The proposed framework employs global sensitivity analysis to study the variance in the failure response as a function of model parameters. In view of the computational complexity of performing thousands of detailed microstructural simulations to characterize sensitivities, Gaussian process (GP) surrogate modeling is incorporated into the framework. In order to capture the discontinuity in response surfaces, the GP models are integrated with a support vector machine classification algorithm that identifies the discontinuities within response surfaces. The proposed framework is employed to quantify variability and sensitivities in the failure response of polymer bonded particulate energetic materials under dynamic loads to material properties and morphological parameters that define the material microstructure. Particular emphasis is placed on the identification of sensitivity to interfaces between the polymer binder and the energetic particles. The proposed framework has been demonstrated to identify the most consequential material and morphological parameters under vibrational and impact loads.

JGromacs: A Java Package for Analyzing Protein Simulations

PubMed Central

2011-01-01

In this paper, we introduce JGromacs, a Java API (Application Programming Interface) that facilitates the development of cross-platform data analysis applications for Molecular Dynamics (MD) simulations. The API supports parsing and writing file formats applied by GROMACS (GROningen MAchine for Chemical Simulations), one of the most widely used MD simulation packages. JGromacs builds on the strengths of object-oriented programming in Java by providing a multilevel object-oriented representation of simulation data to integrate and interconvert sequence, structure, and dynamics information. The easy-to-learn, easy-to-use, and easy-to-extend framework is intended to simplify and accelerate the implementation and development of complex data analysis algorithms. Furthermore, a basic analysis toolkit is included in the package. The programmer is also provided with simple tools (e.g., XML-based configuration) to create applications with a user interface resembling the command-line interface of GROMACS applications. Availability: JGromacs and detailed documentation is freely available from http://sbcb.bioch.ox.ac.uk/jgromacs under a GPLv3 license. PMID:22191855

Ada developers' supplement to the recommended approach

NASA Technical Reports Server (NTRS)

Kester, Rush; Landis, Linda

1993-01-01

This document is a collection of guidelines for programmers and managers who are responsible for the development of flight dynamics applications in Ada. It is intended to be used in conjunction with the Recommended Approach to Software Development (SEL-81-305), which describes the software development life cycle, its products, reviews, methods, tools, and measures. The Ada Developers' Supplement provides additional detail on such topics as reuse, object-oriented analysis, and object-oriented design.

Computational Analysis of Hybrid Two-Photon Absorbers with Excited State Absorption

DTIC Science & Technology

2007-03-01

level. This hybrid arrangement creates a complex dynamical system in which the electron carrier concentration of every photo-activated energy level...spatiotemporal details of the electron population densities of each photo-activated energy level as well as the pulse shape in space and time. The main...experiments at low input energy . However, further additions must be done to the calculation of the optical path for high input energy . 1 15. SUBJECT TERM

Minnehaha Creek Watershed SWMM5 Model Data Analysis and Future Recommendations

DTIC Science & Technology

2013-07-01

comprehensive inventory of data inconsistencies without a source data inventory. To solve this problem, MCWD needs to develop a detailed, georeferenced, GIS...LMCW models, USACE recommends that MCWD keep the SWMM5 models separated instead of combining them into one comprehensive SWMM5 model for the entire...SWMM5 geometry. SWMM5 offers three routing methods: steady flow, kinematic wave, and dynamic wave. Each method offers advantages and disadvantages and

F-4 Beryllium Rudders; A Precis of the Design, Fabrication, Ground and Flight Test Demonstrations

DTIC Science & Technology

1975-05-01

Wright-Patterson Air Force Base , Ohio 45433. AIR FORCE FLIGHT DYNAMICS LABORATORY AIR FORCE SYSTEMS COMMAND WRIGHT-PATTERSON AIR FORCE BASE , OHIO 45433...rudder. These sequential ground tests include: - A 50,000 cycle fatigue test of upper balance weight support structure. A static test to...Design Details 6. Design Analysis 7. Rudder Mass Balance 8, Rudder Moment of Inertia 9, Rudder Weight RUDDER FABRICATION AND ASSEMBLY 1. 2

Elucidation of the conformational free energy landscape in H.pylori LuxS and its implications to catalysis.

PubMed

Bhattacharyya, Moitrayee; Vishveshwara, Saraswathi

2010-08-12

One of the major challenges in understanding enzyme catalysis is to identify the different conformations and their populations at detailed molecular level in response to ligand binding/environment. A detail description of the ligand induced conformational changes provides meaningful insights into the mechanism of action of enzymes and thus its function. In this study, we have explored the ligand induced conformational changes in H.pylori LuxS and the associated mechanistic features. LuxS, a dimeric protein, produces the precursor (4,5-dihydroxy-2,3-pentanedione) for autoinducer-2 production which is a signalling molecule for bacterial quorum sensing. We have performed molecular dynamics simulations on H.pylori LuxS in its various ligand bound forms and analyzed the simulation trajectories using various techniques including the structure network analysis, free energy evaluation and water dynamics at the active site. The results bring out the mechanistic details such as co-operativity and asymmetry between the two subunits, subtle changes in the conformation as a response to the binding of active and inactive forms of ligands and the population distribution of different conformations in equilibrium. These investigations have enabled us to probe the free energy landscape and identify the corresponding conformations in terms of network parameters. In addition, we have also elucidated the variations in the dynamics of water co-ordination to the Zn2+ ion in LuxS and its relation to the rigidity at the active sites. In this article, we provide details of a novel method for the identification of conformational changes in the different ligand bound states of the protein, evaluation of ligand-induced free energy changes and the biological relevance of our results in the context of LuxS structure-function. The methodology outlined here is highly generalized to illuminate the linkage between structure and function in any protein of known structure.

Adaptive two-regime method: Application to front propagation

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

Robinson, Martin, E-mail: martin.robinson@maths.ox.ac.uk; Erban, Radek, E-mail: erban@maths.ox.ac.uk; Flegg, Mark, E-mail: mark.flegg@monash.edu

2014-03-28

The Adaptive Two-Regime Method (ATRM) is developed for hybrid (multiscale) stochastic simulation of reaction-diffusion problems. It efficiently couples detailed Brownian dynamics simulations with coarser lattice-based models. The ATRM is a generalization of the previously developed Two-Regime Method [Flegg et al., J. R. Soc., Interface 9, 859 (2012)] to multiscale problems which require a dynamic selection of regions where detailed Brownian dynamics simulation is used. Typical applications include a front propagation or spatio-temporal oscillations. In this paper, the ATRM is used for an in-depth study of front propagation in a stochastic reaction-diffusion system which has its mean-field model given in termsmore » of the Fisher equation [R. Fisher, Ann. Eugen. 7, 355 (1937)]. It exhibits a travelling reaction front which is sensitive to stochastic fluctuations at the leading edge of the wavefront. Previous studies into stochastic effects on the Fisher wave propagation speed have focused on lattice-based models, but there has been limited progress using off-lattice (Brownian dynamics) models, which suffer due to their high computational cost, particularly at the high molecular numbers that are necessary to approach the Fisher mean-field model. By modelling only the wavefront itself with the off-lattice model, it is shown that the ATRM leads to the same Fisher wave results as purely off-lattice models, but at a fraction of the computational cost. The error analysis of the ATRM is also presented for a morphogen gradient model.« less

Molecular dynamics simulation of bovine pancreatic ribonuclease A-CpA and transition state-like complexes.

PubMed

Formoso, Elena; Matxain, Jon M; Lopez, Xabier; York, Darrin M

2010-06-03

The mechanisms of enzymes are intimately connected with their overall structure and dynamics in solution. Experimentally, it is considerably challenging to provide detailed atomic level information about the conformational events that occur at different stages along the chemical reaction path. Here, theoretical tools may offer new potential insights that complement those obtained from experiments that may not yield an unambiguous mechanistic interpretation. In this study, we apply molecular dynamics simulations of bovine pancreatic ribonuclease A, an archetype ribonuclease, to study the conformational dynamics, structural relaxation, and differential solvation that occur at discrete stages of the transesterification and cleavage reaction. Simulations were performed with explicit solvation with rigorous electrostatics and utilize recently developed molecular mechanical force field parameters for transphosphorylation and hydrolysis transition state analogues. Herein, we present results for the enzyme complexed with the dinucleotide substrate cytidilyl-3',5'-adenosine (CpA) in the reactant, and transphosphorylation and hydrolysis transition states. A detailed analysis of active site structures and hydrogen-bond patterns is presented and compared. The integrity of the overall backbone structure is preserved in the simulations and supports a mechanism whereby His12 stabilizes accumulating negative charge at the transition states through hydrogen-bond donation to the nonbridge oxygens. Lys41 is shown to be highly versatile along the reaction coordinate and can aid in the stabilization of the dianionic transition state, while being poised to act as a general acid catalyst in the hydrolysis step.

Molecular Dynamics Simulation of Bovine Pancreatic Ribonuclease A - CpA and Transition State-like Complexes

PubMed Central

Formoso, Elena; Matxain, Jon M.; Lopez, Xabier; York, Darrin M.

2010-01-01

The mechanisms of enzymes are intimately connected with their overall structure and dynamics in solution. Experimentally it is considerably challenging to provide detailed atomic level information about the conformational events that occur at different stages along the chemical reaction path. Here, theoretical tools may offer new potential insights that complement those obtained from experiments that may not yield an unambiguous mechanistic interpretation. In this study we apply molecular dynamics simulations of bovine pancreatic ribonuclease A, an archetype ribonuclease, in order to study the conformational dynamics, structural relaxation, and differential solvation that occurs at discreet stages of the transesterification and cleavage reaction. Simulations were performed with explicit solvation with rigorous electrostatics, and utilize recently developed molecular mechanical force field parameters for transphosphorylation and hydrolysis transition state analogs. Herein, we present results for the enzyme complexed with the dinucleotide substrate cytidilyl-3′,5′-adenosine (CpA) in the reactant, and transphosphorylation and hydrolysis transition states. A detailed analysis of active site structures and hydrogen bond patterns are presented and compared. The integrity of the overall backbone structure is preserved in the simulations, and support a mechanism whereby His12 stabilizes accumulating negative charge at the transition states through hydrogen bond donation to the non-bridge oxygens. Lys41 is shown to be highly versatile along the reaction coordinate, and can aid in the stabilization of the dianionic transition state, while being poised to act as a general acid catalyst in the hydrolysis step. PMID:20455590

Dynamic modeling of brushless dc motor-power conditioner unit for electromechanical actuator application

NASA Technical Reports Server (NTRS)

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

1979-01-01

A comprehensive digital model for the analysis of the dynamic-instantaneous performance of a power conditioner fed samarium-cobalt permanent magnet brushless DC motor is presented. The particular power conditioner-machine system at hand, for which this model was developed, is a component of an actual prototype electromechanical actuator built for NASA-JSC as a possible alternative to hydraulic actuators as part of feasibility studies for the shuttle orbiter applications. Excellent correlation between digital simulated and experimentally obtained performance data was achieved for this specific prototype. This is reported on in this paper. Details of one component of the model, its applications and the corresponding results are given in this paper.

Non-minimally coupled scalar field cosmology with torsion

NASA Astrophysics Data System (ADS)

Cid, Antonella; Izaurieta, Fernando; Leon, Genly; Medina, Perla; Narbona, Daniela

2018-04-01

In this work we present a generalized Brans-Dicke lagrangian including a non-minimally coupled Gauss-Bonnet term without imposing the vanishing torsion condition. In the resulting field equations, the torsion is closely related to the dynamics of the scalar field, i.e., if non-minimally coupled terms are present in the theory, then the torsion must be present. For the studied lagrangian we analyze the cosmological consequences of an effective torsional fluid and we show that this fluid can be responsible for the current acceleration of the universe. Finally, we perform a detailed dynamical system analysis to describe the qualitative features of the model, we find that accelerated stages are a generic feature of this scenario.

A mechanism for pattern formation in dynamic populations by the effect of gregarious instinct

NASA Astrophysics Data System (ADS)

Mangioni, Sergio E.

2012-01-01

We introduced the gregarious instinct by means of a novel strategy that considers the average effect of the attractive forces between individuals within a given population. We watched how pattern formation can be explained by the effect of aggregation depending on conditions on food and / or mortality. We propose a model that describes the corresponding dynamic and by a linear stability analysis of homogeneous solutions and can identify and interpret the region of parameters where these patterns are stable. Then we test numerically these preliminary results and find stable patterns as solutions. Finally, we developed a simplified model allowing us to understand in greater detail the processes involved.

Comparison between Euler and quaternion parametrization in UAV dynamics

NASA Astrophysics Data System (ADS)

Alaimo, A.; Artale, V.; Milazzo, C.; Ricciardello, A.

2013-10-01

The main topic addressed in this paper is a comparison between Euler parametrization and Quaternion one in the description of the dynamics of a Unmanned Aerial Vehicle assumed as a rigid body. In details Newton Euler equations are re-written in terms of quaternions due to the singularities that the Euler angles lead. This formulation not only avoids the gimbal lock but also allows a better performance in numerical implementation thanks to the linearity of quaternion algebra. This kind of analysis, proved by some numerical results presented, has a great importance due to the applicability of quaternion to drone control. Indeed, this latter requires a time response as quick as possible, in order to be reliable.

Photoionization Modeling

NASA Technical Reports Server (NTRS)

Kallman, T.

2010-01-01

Warm absorber spectra are characterized by the many lines from partially ionized intermediate-Z elements, and iron, detected with the grating instruments on Chandra and XMM-Newton. If these ions are formed in a gas which is in photoionization equilibrium, they correspond to a broad range of ionization parameters, although there is evidence for certain preferred values. A test for any dynamical model for these outflows is to reproduce these properties, at some level of detail. In this paper we present a statistical analysis of the ionization distribution which can be applied both the observed spectra and to theoretical models. As an example, we apply it to our dynamical models for warm absorber outflows, based on evaporation from the molecular torus.

Detailed analysis of routing protocols with different network limitations

NASA Astrophysics Data System (ADS)

Masood, Mohsin; Abuhelala, Mohamed; Glesk, Ivan

2016-12-01

In network communication field, routing protocols have got a significant role which are not only used in networks to handle the user data but also to monitor the different network environments. Dynamic routing protocols such as OSPF, EIGRP and RIP are used for forwarding user data to its destination by instantly detecting the dynamic changes across the network. The dynamic changes in the network can be in the form of topological changes, congestions, links failure etc. Therefore, it becomes a challenge to develop and implement dynamic routing protocols that fulfills the network requirements. Hence, each routing protocol has its own characteristics such as convergence activity, routing metric, routing table etc. and will perform differently in various network environments. This paper presents a comprehensive study of static and dynamic routing, along with dynamic routing protocols. Experiments that are conducted under various network limitations are presented using the OPNET tool. The performance of each of dynamic routing protocols are monitored and explained in the form of simulated results using network parameters. The results are analyzed, in order to provide a clear understanding of each protocol performance for the selection of the proper protocol for a given network environment.

Untangleing the effects of chain rigidity on the structure and dynamics of strongly adsorbed polymer melts

DOE PAGES

Carrillo, Jan-Michael Y.; Cheng, Shiwang; Kumar, Rajeev; ...

2015-06-11

Here, we present a detailed analysis of coarse-grained molecular dynamics simulations of semiflexible polymer melts in contact with a strongly adsorbing substrate. We have characterized the segments in the interfacial layer by counting the number of trains, loops, tails and unadsorbed segments. For more rigid chains, a tail and an adsorbed segment (a train) dominate while loops are more prevalent in more flexible chains. The tails exhibit a non-uniformly stretched conformation akin to the polydispersed pseudobrush envisioned by Guiselin. To probe the dynamics of the segments we computed the layer z-resolved intermediate coherent collective dynamics structure factor, S(q, t, z),more » mean-square displacement of segments, and the 2nd Legendre polynomial of the time-autocorrelation of unit bond vectors, 2[n i(t,z)•n i(0,z)]>. Our results show that segmental dynamics is slower for stiffer chains and there is a strong correlation between the structure and dynamics in the interfacial layer. There is no glassy layer, and the slowing down in dynamics of stiffer chains in the adsorbed region can be attributed to the densification and the more persistent layering of segments.« less

NMR investigations of molecular dynamics

NASA Astrophysics Data System (ADS)

Palmer, Arthur

2011-03-01

NMR spectroscopy is a powerful experimental approach for characterizing protein conformational dynamics on multiple time scales. The insights obtained from NMR studies are complemented and by molecular dynamics (MD) simulations, which provide full atomistic details of protein dynamics. Homologous mesophilic (E. coli) and thermophilic (T. thermophilus) ribonuclease H (RNase H) enzymes serve to illustrate how changes in protein sequence and structure that affect conformational dynamic processes can be monitored and characterized by joint analysis of NMR spectroscopy and MD simulations. A Gly residue inserted within a putative hinge between helices B and C is conserved among thermophilic RNases H, but absent in mesophilic RNases H. Experimental spin relaxation measurements show that the dynamic properties of T. thermophilus RNase H are recapitulated in E. coli RNase H by insertion of a Gly residue between helices B and C. Additional specific intramolecular interactions that modulate backbone and sidechain dynamical properties of the Gly-rich loop and of the conserved Trp residue flanking the Gly insertion site have been identified using MD simulations and subsequently confirmed by NMR spin relaxation measurements. These results emphasize the importance of hydrogen bonds and local steric interactions in restricting conformational fluctuations, and the absence of such interactions in allowing conformational adaptation to substrate binding.

Core temperature rhythms in normal and tumor-bearing mice.

PubMed

Griffith, D J; Busot, J C; Lee, W E; Djeu, D J

1993-01-01

The core temperature temporal behavior of DBA/2 mice (11 normal and 13 with an ascites tumor) was studied using surgically implanted radio telemetry transmitters. Normal mice continuously displayed a stable 24 hour temperature rhythm. Tumor-bearers displayed a progressive deterioration of the temperature rhythm following inoculation with tumor cells. While such disruptions have been noted by others, details on the dynamics of the changes have been mostly qualitative, often due to time-averaging or steady-state analysis of the data. The present study attempts to quantify the dynamics of the disruption of temperature rhythm (when present) by continuously monitoring temperatures over periods up to a month. Analysis indicated that temperature regulation in tumor-bearers was adversely affected during the active period only. Furthermore, it appears that the malignancy may be influencing temperature regulation via pathways not directly attributable to the energy needs of the growing tumor.

Dynamic properties of ceramic materials

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

Grady, D.E.

1995-02-01

The present study offers new data and analysis on the transient shock strength and equation-of-state properties of ceramics. Various dynamic data on nine high strength ceramics are provided with wave profile measurements, through velocity interferometry techniques, the principal observable. Compressive failure in the shock wave front, with emphasis on brittle versus ductile mechanisms of deformation, is examined in some detail. Extensive spall strength data are provided and related to the theoretical spall strength, and to energy-based theories of the spall process. Failure waves, as a mechanism of deformation in the transient shock process, are examined. Strength and equation-of-state analysis ofmore » shock data on silicon carbide, boron carbide, tungsten carbide, silicon dioxide and aluminum nitride is presented with particular emphasis on phase transition properties for the latter two. Wave profile measurements on selected ceramics are investigated for evidence of rate sensitive elastic precursor decay in the shock front failure process.« less

Effect of mutation at the interface of Trp-repressor dimeric protein: a steered molecular dynamics simulation.

PubMed

Miño, German; Baez, Mauricio; Gutierrez, Gonzalo

2013-09-01

The strength of key interfacial contacts that stabilize protein-protein interactions have been studied by computer simulation. Experimentally, changes in the interface are evaluated by generating specific mutations at one or more points of the protein structure. Here, such an evaluation is performed by means of steered molecular dynamics and use of a dimeric model of tryptophan repressor and in-silico mutants as a test case. Analysis of four particular cases shows that, in principle, it is possible to distinguish between wild-type and mutant forms by examination of the total energy and force-extension profiles. In particular, detailed atomic level structural analysis indicates that specific mutations at the interface of the dimeric model (positions 19 and 39) alter interactions that appear in the wild-type form of tryptophan repressor, reducing the energy and force required to separate both subunits.

Nonlinear Pressurization and Modal Analysis Procedure for Dynamic Modeling of Inflatable Structures

NASA Technical Reports Server (NTRS)

Smalley, Kurt B.; Tinker, Michael L.; Saxon, Jeff (Technical Monitor)

2002-01-01

An introduction and set of guidelines for finite element dynamic modeling of nonrigidized inflatable structures is provided. A two-step approach is presented, involving 1) nonlinear static pressurization of the structure and updating of the stiffness matrix and 2) hear normal modes analysis using the updated stiffness. Advantages of this approach are that it provides physical realism in modeling of pressure stiffening, and it maintains the analytical convenience of a standard bear eigensolution once the stiffness has been modified. Demonstration of the approach is accomplished through the creation and test verification of an inflated cylinder model using a large commercial finite element code. Good frequency and mode shape comparisons are obtained with test data and previous modeling efforts, verifying the accuracy of the technique. Problems encountered in the application of the approach, as well as their solutions, are discussed in detail.

Calibration and analysis of genome-based models for microbial ecology.

PubMed

Louca, Stilianos; Doebeli, Michael

2015-10-16

Microbial ecosystem modeling is complicated by the large number of unknown parameters and the lack of appropriate calibration tools. Here we present a novel computational framework for modeling microbial ecosystems, which combines genome-based model construction with statistical analysis and calibration to experimental data. Using this framework, we examined the dynamics of a community of Escherichia coli strains that emerged in laboratory evolution experiments, during which an ancestral strain diversified into two coexisting ecotypes. We constructed a microbial community model comprising the ancestral and the evolved strains, which we calibrated using separate monoculture experiments. Simulations reproduced the successional dynamics in the evolution experiments, and pathway activation patterns observed in microarray transcript profiles. Our approach yielded detailed insights into the metabolic processes that drove bacterial diversification, involving acetate cross-feeding and competition for organic carbon and oxygen. Our framework provides a missing link towards a data-driven mechanistic microbial ecology.

Dynamical behavior in f (T, TG) cosmology

NASA Astrophysics Data System (ADS)

Kofinas, Georgios; Leon, Genly; Saridakis, Emmanuel N.

2014-09-01

The f(T,{{T}_{G}}) class of gravitational modification, based on the quadratic torsion scalar T as well as on the new quartic torsion scalar TG, which is the teleparallel equivalent of the Gauss-Bonnet term, is a novel theory, different from both f (T) and f(R,G) ones. We perform a detailed dynamical analysis of a spatially flat universe governed by the simplest non-trivial model of f(T,{{T}_{G}}) gravity which does not introduce a new mass scale. We find that the universe can result in dark-energy dominated, quintessence-like, cosmological-constant-like, or phantom-like solutions, according to the parameter choices. Additionally, it may result in a dark energy-dark matter scaling solution; thus it can alleviate the coincidence problem. Finally, the analysis ‘at infinity’ reveals that the universe may exhibit future, past, or intermediate singularities, depending on the parameters.

Visualizing Parallel Computer System Performance

NASA Technical Reports Server (NTRS)

Malony, Allen D.; Reed, Daniel A.

1988-01-01

Parallel computer systems are among the most complex of man's creations, making satisfactory performance characterization difficult. Despite this complexity, there are strong, indeed, almost irresistible, incentives to quantify parallel system performance using a single metric. The fallacy lies in succumbing to such temptations. A complete performance characterization requires not only an analysis of the system's constituent levels, it also requires both static and dynamic characterizations. Static or average behavior analysis may mask transients that dramatically alter system performance. Although the human visual system is remarkedly adept at interpreting and identifying anomalies in false color data, the importance of dynamic, visual scientific data presentation has only recently been recognized Large, complex parallel system pose equally vexing performance interpretation problems. Data from hardware and software performance monitors must be presented in ways that emphasize important events while eluding irrelevant details. Design approaches and tools for performance visualization are the subject of this paper.

Effects of local vibrations on the dynamics of space truss structures

NASA Technical Reports Server (NTRS)

Warnaar, Dirk B.; Mcgowan, Paul E.

1987-01-01

The paper discusses the influence of local member vibrations on the dynamics of repetitive space truss structures. Several focus problems wherein local member vibration modes are in the frequency range of the global truss modes are discussed. Special attention is given to defining methods that can be used to identify the global modes of a truss structure amidst many local modes. Significant interactions between the motions of local member vibrations and the global behavior are shown to occur in truss structures when: (1) the natural frequencies of the individual members for clamped-clamped boundary conditions are in the vicinity of the global truss frequency; and (2) the total mass of the individual members represents a large portion of the mass of the whole structure. The analysis is carried out with a structural analysis code which uses exact member theory. The modeling detail required using conventional finite element codes to adequately represent such a class of problems is examined. The paper concludes with some practical considerations for the design and dynamic testing of structures which might exhibit such behavior.

The role of computerized symbolic manipulation in rotorcraft dynamics analysis

NASA Technical Reports Server (NTRS)

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

1986-01-01

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

Real causes of apparent abnormal results in heavy ion reactions

NASA Astrophysics Data System (ADS)

Mandaglio, G.; Nasirov, A. K.; Anastasi, A.; Curciarello, F.; De Leo, V.; Fazio, G.; Giardina, G.

2015-06-01

We study the effect of the static characteristics of nuclei and dynamics of the nucleus-nucleus interaction in the capture stage of reaction, in the competition between quasifission and complete fusion processes, as well as the angular momentum dependence of the competition between fission and evaporation processes along the de-excitation cascade of the compound nucleus. The results calculated for the mass-asymmetric and less mass-asymmetric reactions in the entrance channel are analyzed in order to investigate the role of the dynamical effects on the yields of the evaporation residue nuclei. We also discuss about uncertainties at the extraction of such relevant physical quantities as Γn/Γtot ratio or also excitation functions from the experimental results due to the not always realistic assumptions in the treatment and analysis of the detected events. This procedure can lead to large ambiguity when the complete fusion process is strongly hindered or when the fast fission contribution is large. We emphasize that a refined multiparameter model of the reaction dynamics as well as a more detailed and checked data analysis are strongly needed in heavy-ion collisions.

Review of probabilistic analysis of dynamic response of systems with random parameters

NASA Technical Reports Server (NTRS)

Kozin, F.; Klosner, J. M.

1989-01-01

The various methods that have been studied in the past to allow probabilistic analysis of dynamic response for systems with random parameters are reviewed. Dynamic response may have been obtained deterministically if the variations about the nominal values were small; however, for space structures which require precise pointing, the variations about the nominal values of the structural details and of the environmental conditions are too large to be considered as negligible. These uncertainties are accounted for in terms of probability distributions about their nominal values. The quantities of concern for describing the response of the structure includes displacements, velocities, and the distributions of natural frequencies. The exact statistical characterization of the response would yield joint probability distributions for the response variables. Since the random quantities will appear as coefficients, determining the exact distributions will be difficult at best. Thus, certain approximations will have to be made. A number of techniques that are available are discussed, even in the nonlinear case. The methods that are described were: (1) Liouville's equation; (2) perturbation methods; (3) mean square approximate systems; and (4) nonlinear systems with approximation by linear systems.

Analysis of coherent dynamical processes through computer vision

NASA Astrophysics Data System (ADS)

Hack, M. J. Philipp

2016-11-01

Visualizations of turbulent boundary layers show an abundance of characteristic arc-shaped structures whose apparent similarity suggests a common origin in a coherent dynamical process. While the structures have been likened to the hairpin vortices observed in the late stages of transitional flow, a consistent description of the underlying mechanism has remained elusive. Detailed studies are complicated by the chaotic nature of turbulence which modulates each manifestation of the process and which renders the isolation of individual structures a challenging task. The present study applies methods from the field of computer vision to capture the time evolution of turbulent flow features and explore the associated physical mechanisms. The algorithm uses morphological operations to condense the structure of the turbulent flow field into a graph described by nodes and links. The low-dimensional geometric information is stored in a database and allows the identification and analysis of equivalent dynamical processes across multiple scales. The framework is not limited to turbulent boundary layers and can also be applied to different types of flows as well as problems from other fields of science.

Design, analysis and control of a novel tendon-driven magnetic resonance-guided robotic system for minimally invasive breast surgery.

PubMed

Jiang, Shan; Lou, Jinlong; Yang, Zhiyong; Dai, Jiansheng; Yu, Yan

2015-09-01

Biopsy and brachytherapy for small core breast cancer are always difficult medical problems in the field of cancer treatment. This research mainly develops a magnetic resonance imaging-guided high-precision robotic system for breast puncture treatment. First, a 5-degree-of-freedom tendon-based surgical robotic system is introduced in detail. What follows are the kinematic analysis and dynamical modeling of the robotic system, where a mathematic dynamic model is established using the Lagrange method and a lumped parameter tendon model is used to identify the nonlinear gain of the tendon-sheath transmission system. Based on the dynamical models, an adaptive proportional-integral-derivative controller with friction compensation is proposed for accurate position control. Through simulations using different sinusoidal input signals, we observe that the sinusoidal tracking error at 1/2π Hz is 0.41 mm. Finally, the experiments on tendon-sheath transmission and needle insertion performance are conducted, which show that the insertion precision is 0.68 mm in laboratory environment. © IMechE 2015.

The dynamical analysis of modified two-compartment neuron model and FPGA implementation

NASA Astrophysics Data System (ADS)

Lin, Qianjin; Wang, Jiang; Yang, Shuangming; Yi, Guosheng; Deng, Bin; Wei, Xile; Yu, Haitao

2017-10-01

The complexity of neural models is increasing with the investigation of larger biological neural network, more various ionic channels and more detailed morphologies, and the implementation of biological neural network is a task with huge computational complexity and power consumption. This paper presents an efficient digital design using piecewise linearization on field programmable gate array (FPGA), to succinctly implement the reduced two-compartment model which retains essential features of more complicated models. The design proposes an approximate neuron model which is composed of a set of piecewise linear equations, and it can reproduce different dynamical behaviors to depict the mechanisms of a single neuron model. The consistency of hardware implementation is verified in terms of dynamical behaviors and bifurcation analysis, and the simulation results including varied ion channel characteristics coincide with the biological neuron model with a high accuracy. Hardware synthesis on FPGA demonstrates that the proposed model has reliable performance and lower hardware resource compared with the original two-compartment model. These investigations are conducive to scalability of biological neural network in reconfigurable large-scale neuromorphic system.

Recommendations for oversight of nanobiotechnology: dynamic oversight for complex and convergent technology

NASA Astrophysics Data System (ADS)

Ramachandran, Gurumurthy; Wolf, Susan M.; Paradise, Jordan; Kuzma, Jennifer; Hall, Ralph; Kokkoli, Efrosini; Fatehi, Leili

2011-04-01

Federal oversight of nanobiotechnology in the U.S. has been fragmented and incremental. The prevailing approach has been to use existing laws and other administrative mechanisms for oversight. However, this "stay-the-course" approach will be inadequate for such a complex and convergent technology and may indeed undermine its promise. The technology demands a new, more dynamic approach to oversight. The authors are proposing a new oversight framework with three essential features: (a) the oversight trajectory needs to be able to move dynamically between "soft" and "hard" approaches as information and nano-products evolve; (b) it needs to integrate inputs from all stakeholders, with strong public engagement in decision-making to assure adequate analysis and transparency; and (c) it should include an overarching coordinating entity to assure strong inter-agency coordination and communication that can meet the challenge posed by the convergent nature of nanobiotechnology. The proposed framework arises from a detailed case analysis of several key oversight regimes relevant to nanobiotechnology and is informed by inputs from experts in academia, industry, NGOs, and government.

Study of Geometric Porosity on Static Stability and Drag Using Computational Fluid Dynamics for Rigid Parachute Shapes

NASA Technical Reports Server (NTRS)

Greathouse, James S.; Schwing, Alan M.

2015-01-01

This paper explores use of computational fluid dynamics to study the e?ect of geometric porosity on static stability and drag for NASA's Multi-Purpose Crew Vehicle main parachute. Both of these aerodynamic characteristics are of interest to in parachute design, and computational methods promise designers the ability to perform detailed parametric studies and other design iterations with a level of control previously unobtainable using ground or flight testing. The approach presented here uses a canopy structural analysis code to define the inflated parachute shapes on which structured computational grids are generated. These grids are used by the computational fluid dynamics code OVERFLOW and are modeled as rigid, impermeable bodies for this analysis. Comparisons to Apollo drop test data is shown as preliminary validation of the technique. Results include several parametric sweeps through design variables in order to better understand the trade between static stability and drag. Finally, designs that maximize static stability with a minimal loss in drag are suggested for further study in subscale ground and flight testing.

Preparation and properties of carboxylated styrene-butadiene rubber/cellulose nanocrystals composites.

PubMed

Cao, Xiaodong; Xu, Chuanhui; Liu, Yuhong; Chen, Yukun

2013-01-30

A series of carboxylated styrene-butadiene rubber (XSBR)/cellulose nanocrystals (CNs) latex composites were successfully prepared. The vulcanization process, morphology, dynamic viscoelastic behavior, dynamic mechanical property, thermal and mechanical performance of the XSBR/CNs composites were investigated in detail. The results revealed that CNs were dispersed uniformly in the XSBR matrix and formed a strong filler-filler network. The dynamic mechanical analysis (DMA) showed that the glass transition temperature (T(g)) of XSBR matrix was shifted from 48.45 to 50.64 °C with 3 phr CNs, but decreased from 50.64 to 46.28 °C when further increasing CNs content up to 15 phr. The composites exhibited a significant enhancement in tensile strength (from 16.9 to 24.1 MPa) and tear strength (from 43.5 to 65.2 MPa) with loading CNs from 0 to 15 phr. In addition, the thermo-gravimetric analysis (TGA) showed that the temperature at 5% weight loss of the XSBR/CNs composites decreased slightly with an increase of the CNs content. Crown Copyright © 2012. Published by Elsevier Ltd. All rights reserved.

Elucidating the ensemble of functionally-relevant transitions in protein systems with a robotics-inspired method

PubMed Central

2013-01-01

Background Many proteins tune their biological function by transitioning between different functional states, effectively acting as dynamic molecular machines. Detailed structural characterization of transition trajectories is central to understanding the relationship between protein dynamics and function. Computational approaches that build on the Molecular Dynamics framework are in principle able to model transition trajectories at great detail but also at considerable computational cost. Methods that delay consideration of dynamics and focus instead on elucidating energetically-credible conformational paths connecting two functionally-relevant structures provide a complementary approach. Effective sampling-based path planning methods originating in robotics have been recently proposed to produce conformational paths. These methods largely model short peptides or address large proteins by simplifying conformational space. Methods We propose a robotics-inspired method that connects two given structures of a protein by sampling conformational paths. The method focuses on small- to medium-size proteins, efficiently modeling structural deformations through the use of the molecular fragment replacement technique. In particular, the method grows a tree in conformational space rooted at the start structure, steering the tree to a goal region defined around the goal structure. We investigate various bias schemes over a progress coordinate for balance between coverage of conformational space and progress towards the goal. A geometric projection layer promotes path diversity. A reactive temperature scheme allows sampling of rare paths that cross energy barriers. Results and conclusions Experiments are conducted on small- to medium-size proteins of length up to 214 amino acids and with multiple known functionally-relevant states, some of which are more than 13Å apart of each-other. Analysis reveals that the method effectively obtains conformational paths connecting structural states that are significantly different. A detailed analysis on the depth and breadth of the tree suggests that a soft global bias over the progress coordinate enhances sampling and results in higher path diversity. The explicit geometric projection layer that biases the exploration away from over-sampled regions further increases coverage, often improving proximity to the goal by forcing the exploration to find new paths. The reactive temperature scheme is shown effective in increasing path diversity, particularly in difficult structural transitions with known high-energy barriers. PMID:24565158

Assessing Earthquake-Induced Tree Mortality in Temperate Forest Ecosystems: A Case Study from Wenchuan, China

DOE PAGES

Zeng, Hongcheng; Lu, Tao; Jenkins, Hillary; ...

2016-03-17

Earthquakes can produce significant tree mortality, and consequently affect regional carbon dynamics. Unfortunately, detailed studies quantifying the influence of earthquake on forest mortality are currently rare. The committed forest biomass carbon loss associated with the 2008 Wenchuan earthquake in China is assessed by a synthetic approach in this study that integrated field investigation, remote sensing analysis, empirical models and Monte Carlo simulation. The newly developed approach significantly improved the forest disturbance evaluation by quantitatively defining the earthquake impact boundary and detailed field survey to validate the mortality models. Based on our approach, a total biomass carbon of 10.9 Tg·C wasmore » lost in Wenchuan earthquake, which offset 0.23% of the living biomass carbon stock in Chinese forests. Tree mortality was highly clustered at epicenter, and declined rapidly with distance away from the fault zone. It is suggested that earthquakes represent a signif icant driver to forest carbon dynamics, and the earthquake-induced biomass carbon loss should be included in estimating forest carbon budgets.« less

Real-Time Quantum Dynamics of Long-Range Electronic Excitation Transfer in Plasmonic Nanoantennas.

PubMed

Ilawe, Niranjan V; Oviedo, M Belén; Wong, Bryan M

2017-08-08

Using large-scale, real-time, quantum dynamics calculations, we present a detailed analysis of electronic excitation transfer (EET) mechanisms in a multiparticle plasmonic nanoantenna system. Specifically, we utilize real-time, time-dependent, density functional tight binding (RT-TDDFTB) to provide a quantum-mechanical description (at an electronic/atomistic level of detail) for characterizing and analyzing these systems, without recourse to classical approximations. We also demonstrate highly long-range electronic couplings in these complex systems and find that the range of these couplings is more than twice the conventional cutoff limit considered by Förster resonance energy transfer (FRET)-based approaches. Furthermore, we attribute these unusually long-ranged electronic couplings to the coherent oscillations of conduction electrons in plasmonic nanoparticles. This long-range nature of plasmonic interactions has important ramifications for EET; in particular, we show that the commonly used "nearest-neighbor" FRET model is inadequate for accurately characterizing EET even in simple plasmonic antenna systems. These findings provide a real-time, quantum-mechanical perspective for understanding EET mechanisms and provide guidance in enhancing plasmonic properties in artificial light-harvesting systems.

Molecular dynamics in drug design: new generations of compstatin analogs.

PubMed

Tamamis, Phanourios; López de Victoria, Aliana; Gorham, Ronald D; Bellows-Peterson, Meghan L; Pierou, Panayiota; Floudas, Christodoulos A; Morikis, Dimitrios; Archontis, Georgios

2012-05-01

We report the computational and rational design of new generations of potential peptide-based inhibitors of the complement protein C3 from the compstatin family. The binding efficacy of the peptides is tested by extensive molecular dynamics-based structural and physicochemical analysis, using 32 atomic detail trajectories in explicit water for 22 peptides bound to human, rat or mouse target protein C3, with a total of 257 ns. The criteria for the new design are: (i) optimization for C3 affinity and for the balance between hydrophobicity and polarity to improve solubility compared to known compstatin analogs; and (ii) development of dual specificity, human-rat/mouse C3 inhibitors, which could be used in animal disease models. Three of the new analogs are analyzed in more detail as they possess strong and novel binding characteristics and are promising candidates for further optimization. This work paves the way for the development of an improved therapeutic for age-related macular degeneration, and other complement system-mediated diseases, compared to known compstatin variants. © 2012 John Wiley & Sons A/S.

The LATDYN user's manual

NASA Technical Reports Server (NTRS)

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

1986-01-01

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

Exciton lifetime and emission polarization dispersion in strongly in-plane asymmetric nanostructures

NASA Astrophysics Data System (ADS)

Gawełczyk, M.; Syperek, M.; Maryński, A.; Mrowiński, P.; Dusanowski, Ł.; Gawarecki, K.; Misiewicz, J.; Somers, A.; Reithmaier, J. P.; Höfling, S.; Sek, G.

2017-12-01

We present a theoretical and experimental investigation of exciton recombination dynamics and the related polarization of emission in highly in-plane asymmetric nanostructures. Considering general asymmetry- and size-driven effects, we illustrate them with a detailed analysis of InAs/AlGaInAs/InP elongated quantum dots. These offer widely varied confinement characteristics tuned by size and geometry that are tailored during the growth process, which leads to emission in the application-relevant spectral range of 1.25-1.65 μ m . By exploring the interplay of the very shallow hole confining potential and widely varying structural asymmetry, we show that a transition from the strong through intermediate to even weak confinement regime is possible in nanostructures of this kind. This has a significant impact on exciton recombination dynamics and the polarization of emission, which are shown to depend not only on the details of the calculated excitonic states but also on excitation conditions in the photoluminescence experiments. We estimate the impact of the latter and propose a way to determine the intrinsic polarization-dependent exciton light-matter coupling based on kinetic characteristics.

Assessing Earthquake-Induced Tree Mortality in Temperate Forest Ecosystems: A Case Study from Wenchuan, China

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

Zeng, Hongcheng; Lu, Tao; Jenkins, Hillary

Earthquakes can produce significant tree mortality, and consequently affect regional carbon dynamics. Unfortunately, detailed studies quantifying the influence of earthquake on forest mortality are currently rare. The committed forest biomass carbon loss associated with the 2008 Wenchuan earthquake in China is assessed by a synthetic approach in this study that integrated field investigation, remote sensing analysis, empirical models and Monte Carlo simulation. The newly developed approach significantly improved the forest disturbance evaluation by quantitatively defining the earthquake impact boundary and detailed field survey to validate the mortality models. Based on our approach, a total biomass carbon of 10.9 Tg·C wasmore » lost in Wenchuan earthquake, which offset 0.23% of the living biomass carbon stock in Chinese forests. Tree mortality was highly clustered at epicenter, and declined rapidly with distance away from the fault zone. It is suggested that earthquakes represent a signif icant driver to forest carbon dynamics, and the earthquake-induced biomass carbon loss should be included in estimating forest carbon budgets.« less

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

NASA Astrophysics Data System (ADS)

Kuwahara, Tomotaka; Mori, Takashi; Saito, Keiji

2016-04-01

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

Off-road motorbike performance analysis using a rear semi-active suspension

NASA Astrophysics Data System (ADS)

Lozoya-Santos, Jorge de J.; Cervantes-Muñoz, Damián.; Ramírez Mendoza, Ricardo

2015-04-01

The topic of this paper is the analysis of a control system for a semi active rear suspension in an off-road 2-wheel vehicle. Several control methods are studied, as well as the recently proposed Frequency Estimation Based (FEB) algorithm. The test motorcycle dynamics, as well as the passive, semi active, and the algorithm controlled shock absorber models are loaded into BikeSim, a professional two-wheeled vehicle simulation software, and tested in several road conditions. The results show a detailed comparison of the theoretical performance of the different control approaches in a novel environment for semi active dampers.

Phase transitions of antibiotic clarithromycin forms I, IV and new form VII crystals.

PubMed

Ito, Masataka; Shiba, Rika; Watanabe, Miteki; Iwao, Yasunori; Itai, Shigeru; Noguchi, Shuji

2018-06-01

Metastable crystal form I of the antibiotic clarithromycin has a pharmaceutically valuable characteristic that its crystalline phase transition can be applied for its sustained release from tablets. The phase transition of form I was investigated in detail by single crystal and powder X-ray analyses, dynamic vapor sorption analysis and thermal analysis. The single crystal structure of form I revealed that form I was not an anhydrate crystal but contained a partially occupied water molecule in the channel-like void space. Dynamic vapor sorption (DVS) analysis demonstrated that form I crystals reversibly sorbed water molecules in two steps when the relative humidity (RH) increased and finally transited to hydrate form IV at 95% RH. DVS analysis also showed that when the RH decreased form IV crystals lost water molecules at 40% RH and transited to the newly identified anhydrate crystal form VII. Form VII reversibly transited to form IV at lower RH than form I, suggesting that form I is more suitable for manufacturing a sustained-release tablet of CAM utilizing the crystalline phase transition. Copyright © 2018 Elsevier B.V. All rights reserved.

Dynamics in supercooled polyalcohols: Primary and secondary relaxation

NASA Astrophysics Data System (ADS)

Döß, A.; Paluch, M.; Sillescu, H.; Hinze, G.

2002-10-01

We have studied details of the molecular dynamics in a series of pure polyalcohols by means of dielectric spectroscopy and 2H nuclear magnetic resonance (NMR). From glycerol to threitol, xylitol and sorbitol a systematic change in the dynamics of the primary and secondary relaxation is found. With increasing molecular weight and fragility an increase in the width of the α-peak is observed. Details of the molecular reorientation process responsible for the α-relaxation were exploited by two-dimensional NMR experiments. It is found that in the same sequence of polyalcohols the appearance of the secondary relaxation changes gradually from a wing type scenario to a pronounced β-peak. From NMR experiments using selectively deuterated samples the molecular origin of the secondary relaxation could be elucidated in more detail.

Statistical correlations and risk analyses techniques for a diving dual phase bubble model and data bank using massively parallel supercomputers.

PubMed

Wienke, B R; O'Leary, T R

2008-05-01

Linking model and data, we detail the LANL diving reduced gradient bubble model (RGBM), dynamical principles, and correlation with data in the LANL Data Bank. Table, profile, and meter risks are obtained from likelihood analysis and quoted for air, nitrox, helitrox no-decompression time limits, repetitive dive tables, and selected mixed gas and repetitive profiles. Application analyses include the EXPLORER decompression meter algorithm, NAUI tables, University of Wisconsin Seafood Diver tables, comparative NAUI, PADI, Oceanic NDLs and repetitive dives, comparative nitrogen and helium mixed gas risks, USS Perry deep rebreather (RB) exploration dive,world record open circuit (OC) dive, and Woodville Karst Plain Project (WKPP) extreme cave exploration profiles. The algorithm has seen extensive and utilitarian application in mixed gas diving, both in recreational and technical sectors, and forms the bases forreleased tables and decompression meters used by scientific, commercial, and research divers. The LANL Data Bank is described, and the methods used to deduce risk are detailed. Risk functions for dissolved gas and bubbles are summarized. Parameters that can be used to estimate profile risk are tallied. To fit data, a modified Levenberg-Marquardt routine is employed with L2 error norm. Appendices sketch the numerical methods, and list reports from field testing for (real) mixed gas diving. A Monte Carlo-like sampling scheme for fast numerical analysis of the data is also detailed, as a coupled variance reduction technique and additional check on the canonical approach to estimating diving risk. The method suggests alternatives to the canonical approach. This work represents a first time correlation effort linking a dynamical bubble model with deep stop data. Supercomputing resources are requisite to connect model and data in application.

Mode decomposition and Lagrangian structures of the flow dynamics in orbitally shaken bioreactors

NASA Astrophysics Data System (ADS)

Weheliye, Weheliye Hashi; Cagney, Neil; Rodriguez, Gregorio; Micheletti, Martina; Ducci, Andrea

2018-03-01

In this study, two mode decomposition techniques were applied and compared to assess the flow dynamics in an orbital shaken bioreactor (OSB) of cylindrical geometry and flat bottom: proper orthogonal decomposition and dynamic mode decomposition. Particle Image Velocimetry (PIV) experiments were carried out for different operating conditions including fluid height, h, and shaker rotational speed, N. A detailed flow analysis is provided for conditions when the fluid and vessel motions are in-phase (Fr = 0.23) and out-of-phase (Fr = 0.47). PIV measurements in vertical and horizontal planes were combined to reconstruct low order models of the full 3D flow and to determine its Finite-Time Lyapunov Exponent (FTLE) within OSBs. The combined results from the mode decomposition and the FTLE fields provide a useful insight into the flow dynamics and Lagrangian coherent structures in OSBs and offer a valuable tool to optimise bioprocess design in terms of mixing and cell suspension.

FDNS CFD Code Benchmark for RBCC Ejector Mode Operation: Continuing Toward Dual Rocket Effects

NASA Technical Reports Server (NTRS)

West, Jeff; Ruf, Joseph H.; Turner, James E. (Technical Monitor)

2000-01-01

Computational Fluid Dynamics (CFD) analysis results are compared with benchmark quality test data from the Propulsion Engineering Research Center's (PERC) Rocket Based Combined Cycle (RBCC) experiments to verify fluid dynamic code and application procedures. RBCC engine flowpath development will rely on CFD applications to capture the multi -dimensional fluid dynamic interactions and to quantify their effect on the RBCC system performance. Therefore, the accuracy of these CFD codes must be determined through detailed comparisons with test data. The PERC experiments build upon the well-known 1968 rocket-ejector experiments of Odegaard and Stroup by employing advanced optical and laser based diagnostics to evaluate mixing and secondary combustion. The Finite Difference Navier Stokes (FDNS) code [2] was used to model the fluid dynamics of the PERC RBCC ejector mode configuration. Analyses were performed for the Diffusion and Afterburning (DAB) test conditions at the 200-psia thruster operation point, Results with and without downstream fuel injection are presented.

Research on dynamic performance design of mobile phone application based on context awareness

NASA Astrophysics Data System (ADS)

Bo, Zhang

2018-05-01

It aims to explore the dynamic performance of different mobile phone applications and the user's cognitive differences, reduce the cognitive burden, and enhance the sense of experience. By analyzing the dynamic design performance in four different interactive contexts, and constructing the framework of information service process in the interactive context perception and the two perception principles of the cognitive consensus between designer and user, and the two kinds of knowledge in accordance with the perception principles. The analysis of the context will help users sense the dynamic performance more intuitively, so that the details of interaction will be performed more vividly and smoothly, thus enhance user's experience in the interactive process. The common perception experience enables designers and users to produce emotional resonance in different interactive contexts, and help them achieve rapid understanding of interactive content and perceive the logic and hierarchy of the content and the structure, therefore the effectiveness of mobile applications will be improved.

Direct observation of ultrafast coherent exciton dynamics in helical π-stacks of self-assembled perylene bisimides

PubMed Central

Sung, Jooyoung; Kim, Pyosang; Fimmel, Benjamin; Würthner, Frank; Kim, Dongho

2015-01-01

Ever since the discovery of dye self-assemblies in nature, there have been tremendous efforts to exploit biomimetic supramolecular assemblies for tailored artificial photon processing materials. This feature necessarily has resulted in an increasing demand for understanding exciton dynamics in the dye self-assemblies. In a sharp contrast with J-type aggregates, however, the detailed observation of exciton dynamics in H-type aggregates has remained challenging. In this study, as we succeed in measuring transient fluorescence from Frenkel state of π-stacked perylene tetracarboxylic acid bisimide dimer and oligomer aggregates, we present an experimental demonstration on Frenkel exciton dynamics of archetypal columnar π–π stacks of dyes. The analysis of the vibronic peak ratio of the transient fluorescence spectra reveals that unlike the simple π-stacked dimer, the photoexcitation energy in the columnar π-stacked oligomer aggregates is initially delocalized over at least three molecular units and moves coherently along the chain in tens of femtoseconds, preceding excimer formation process. PMID:26492820

Magnetic response of a disordered binary ferromagnetic alloy to an oscillating magnetic field

NASA Astrophysics Data System (ADS)

Vatansever, Erol; Polat, Hamza

2015-08-01

By means of Monte Carlo simulation with local spin update Metropolis algorithm, we have elucidated non-equilibrium phase transition properties and stationary-state treatment of a disordered binary ferromagnetic alloy of the type ApB1-p on a square lattice. After a detailed analysis, we have found that the system shows many interesting and unusual thermal and magnetic behaviors, for instance, the locations of dynamic phase transition points change significantly depending upon amplitude and period of the external magnetic field as well as upon the active concentration of A-type components. Much effort has also been dedicated to clarify the hysteresis tools, such as coercivity, dynamic loop area as well as dynamic correlations between time dependent magnetizations and external time dependent applied field as a functions of period and amplitude of field as well as active concentration of A-type components, and outstanding physical findings have been reported in order to better understand the dynamic process underlying present system.

Dynamics of subway networks based on vehicles operation timetable

NASA Astrophysics Data System (ADS)

Xiao, Xue-mei; Jia, Li-min; Wang, Yan-hui

2017-05-01

In this paper, a subway network is represented as a dynamic, directed and weighted graph, in which vertices represent subway stations and weights of edges represent the number of vehicles passing through the edges by considering vehicles operation timetable. Meanwhile the definitions of static and dynamic metrics which can represent vertices' and edges' local and global attributes are proposed. Based on the model and metrics, standard deviation is further introduced to study the dynamic properties (heterogeneity and vulnerability) of subway networks. Through a detailed analysis of the Beijing subway network, we conclude that with the existing network structure, the heterogeneity and vulnerability of the Beijing subway network varies over time when the vehicle operation timetable is taken into consideration, and the distribution of edge weights affects the performance of the network. In other words, although the vehicles operation timetable is restrained by the physical structure of the network, it determines the performances and properties of the Beijing subway network.

Dynamics of protein folding: probing the kinetic network of folding-unfolding transitions with experiment and theory.

PubMed

Buchner, Ginka S; Murphy, Ronan D; Buchete, Nicolae-Viorel; Kubelka, Jan

2011-08-01

The problem of spontaneous folding of amino acid chains into highly organized, biologically functional three-dimensional protein structures continues to challenge the modern science. Understanding how proteins fold requires characterization of the underlying energy landscapes as well as the dynamics of the polypeptide chains in all stages of the folding process. In recent years, important advances toward these goals have been achieved owing to the rapidly growing interdisciplinary interest and significant progress in both experimental techniques and theoretical methods. Improvements in the experimental time resolution led to determination of the timescales of the important elementary events in folding, such as formation of secondary structure and tertiary contacts. Sensitive single molecule methods made possible probing the distributions of the unfolded and folded states and following the folding reaction of individual protein molecules. Discovery of proteins that fold in microseconds opened the possibility of atomic-level theoretical simulations of folding and their direct comparisons with experimental data, as well as of direct experimental observation of the barrier-less folding transition. The ultra-fast folding also brought new questions, concerning the intrinsic limits of the folding rates and experimental signatures of barrier-less "downhill" folding. These problems will require novel approaches for even more detailed experimental investigations of the folding dynamics as well as for the analysis of the folding kinetic data. For theoretical simulations of folding, a main challenge is how to extract the relevant information from overwhelmingly detailed atomistic trajectories. New theoretical methods have been devised to allow a systematic approach towards a quantitative analysis of the kinetic network of folding-unfolding transitions between various configuration states of a protein, revealing the transition states and the associated folding pathways at multiple levels, from atomistic to coarse-grained representations. This article is part of a Special Issue entitled: Protein Dynamics: Experimental and Computational Approaches. Copyright © 2010 Elsevier B.V. All rights reserved.

Changes in glacier dynamics in the northern Antarctic Peninsula since 1985

NASA Astrophysics Data System (ADS)

Seehaus, Thorsten; Cook, Alison J.; Silva, Aline B.; Braun, Matthias

2018-02-01

The climatic conditions along the northern Antarctic Peninsula have shown significant changes within the last 50 years. Here we present a comprehensive analysis of temporally and spatially detailed observations of the changes in ice dynamics along both the east and west coastlines of the northern Antarctic Peninsula. Temporal evolutions of glacier area (1985-2015) and ice surface velocity (1992-2014) are derived from a broad multi-mission remote sensing database for 74 glacier basins on the northern Antarctic Peninsula ( < 65° S along the west coast and north of the Seal Nunataks on the east coast). A recession of the glaciers by 238.81 km2 is found for the period 1985-2015, of which the glaciers affected by ice shelf disintegration showed the largest retreat by 208.59 km2. Glaciers on the east coast north of the former Prince Gustav Ice Shelf extent in 1986 receded by only 21.07 km2 (1985-2015) and decelerated by about 58 % on average (1992-2014). A dramatic acceleration after ice shelf disintegration with a subsequent deceleration is observed at most former ice shelf tributaries on the east coast, combined with a significant frontal retreat. In 2014, the flow speed of the former ice shelf tributaries was 26 % higher than before 1996. Along the west coast the average flow speeds of the glaciers increased by 41 %. However, the glaciers on the western Antarctic Peninsula revealed a strong spatial variability of the changes in ice dynamics. By applying a hierarchical cluster analysis, we show that this is associated with the geometric parameters of the individual glacier basins (hypsometric indexes, maximum surface elevation of the basin, flux gate to catchment size ratio). The heterogeneous spatial pattern of ice dynamic evolutions at the northern Antarctic Peninsula shows that temporally and spatially detailed observations as well as further monitoring are necessary to fully understand glacier change in regions with such strong topographic and climatic variances.

Nanoscopic dynamics of phospholipid in unilamellar vesicles: Effect of gel to fluid phase transition

DOE PAGES

Sharma, V. K.; Mamontov, E.; Anunciado, D. B.; ...

2015-03-04

Dynamics of phospholipids in unilamellar vesicles (ULV) is of interest in biology, medical, and food sciences since these molecules are widely used as biocompatible agents and a mimic of cell membrane systems. We have investigated the nanoscopic dynamics of 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) phospholipid in ULV as a function of temperature using elastic and quasielastic neutron scattering (QENS). The dependence of the signal on the scattering momentum transfer, which is a critical advantage of neutron scattering techniques, allows the detailed analysis of the lipid motions that cannot be carried out by other means. In agreement with a differential scanning calorimetry measurement, amore » sharp rise in the elastic scattering intensity below ca. 296 K indicates a phase transition from the high-temperature fluid phase to the low-temperature solid gel phase. The microscopic lipid dynamics exhibits qualitative differences between the solid gel phase (in a measurement at 280 K) and the fluid phase (in a measurement at a physiological temperature of 310 K). The data analysis invariably shows the presence of two distinct motions: the whole lipid molecule motion within a monolayer, or lateral diffusion, and the relatively faster internal motion of the DMPC molecule. The lateral diffusion of the whole lipid molecule is found to be Fickian in character, whereas the internal lipid motions are of localized character, consistent with the structure of the vesicles. The lateral motion slows down by an order of magnitude in the solid gel phase, whereas for the internal motion not only the time scale, but also the character of the motion changes upon the phase transition. In the solid gel phase, the lipids are more ordered and undergo uniaxial rotational motion. However, in the fluid phase, the hydrogen atoms of the lipid tails undergo confined translation diffusion rather than uniaxial rotational diffusion. The localized translational diffusion of the hydrogen atoms of the lipid tails is a manifestation of the flexibility of the chains acquired in the fluid phase. Because of this flexibility, both the local diffusivity and the confinement volume for the hydrogen atoms increase linearly from near the lipid s polar head group to the end of its hydrophobic tail. Our results present a quantitative and detailed picture of the effect of the gel-fluid phase transition on the nanoscopic lipid dynamics in ULV. Lastly, the data analysis approach developed here has a potential for probing the dynamic response of lipids to the presence of additional cell membrane components.« less

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

PubMed

Evoli, Stefania; Guzzi, Rita; Rizzuti, Bruno

2013-10-01

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

Analytical approach to impurity transport studies: Charge state dynamics in tokamak plasmas

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

Shurygin, V. A.

2006-08-15

Ionization and recombination of plasma impurities govern their charge state kinetics, which is imposed upon the dynamics of ions that implies a superposition of the appropriate probabilities and causes an impurity charge state dynamics. The latter is considered in terms of a vector field of conditional probabilities and presented by a vector charge state distribution function with coupled equations of the Kolmogorov type. Analytical solutions of a diffusion problem are derived with the basic spatial and temporal dimensionless parameters. Analysis shows that the empirical scaling D{sub A}{proportional_to}n{sub e}{sup -1} [K. Krieger, G. Fussmann, and the ASDEX Upgrade Team, Nucl. Fusionmore » 30, 2392 (1990)] can be explained by the ratio of the diffusive and kinetic terms, D{sub A}/(n{sub e}a{sup 2}), being used instead of diffusivity, D{sub A}. The derived time scales of charge state dynamics are given by a sum of the diffusive and kinetic times. Detailed simulations of charge state dynamics are performed for argon impurity and compared with the reference modeling.« less

Charge-transfer modified embedded atom method dynamic charge potential for Li-Co-O system

NASA Astrophysics Data System (ADS)

Kong, Fantai; Longo, Roberto C.; Liang, Chaoping; Nie, Yifan; Zheng, Yongping; Zhang, Chenxi; Cho, Kyeongjae

2017-11-01

To overcome the limitation of conventional fixed charge potential methods for the study of Li-ion battery cathode materials, a dynamic charge potential method, charge-transfer modified embedded atom method (CT-MEAM), has been developed and applied to the Li-Co-O ternary system. The accuracy of the potential has been tested and validated by reproducing a variety of structural and electrochemical properties of LiCoO2. A detailed analysis on the local charge distribution confirmed the capability of this potential for dynamic charge modeling. The transferability of the potential is also demonstrated by its reliability in describing Li-rich Li2CoO2 and Li-deficient LiCo2O4 compounds, including their phase stability, equilibrium volume, charge states and cathode voltages. These results demonstrate that the CT-MEAM dynamic charge potential could help to overcome the challenge of modeling complex ternary transition metal oxides. This work can promote molecular dynamics studies of Li ion cathode materials and other important transition metal oxides systems that involve complex electrochemical and catalytic reactions.

Charge-transfer modified embedded atom method dynamic charge potential for Li-Co-O system.

PubMed

Kong, Fantai; Longo, Roberto C; Liang, Chaoping; Nie, Yifan; Zheng, Yongping; Zhang, Chenxi; Cho, Kyeongjae

2017-11-29

To overcome the limitation of conventional fixed charge potential methods for the study of Li-ion battery cathode materials, a dynamic charge potential method, charge-transfer modified embedded atom method (CT-MEAM), has been developed and applied to the Li-Co-O ternary system. The accuracy of the potential has been tested and validated by reproducing a variety of structural and electrochemical properties of LiCoO 2 . A detailed analysis on the local charge distribution confirmed the capability of this potential for dynamic charge modeling. The transferability of the potential is also demonstrated by its reliability in describing Li-rich Li 2 CoO 2 and Li-deficient LiCo 2 O 4 compounds, including their phase stability, equilibrium volume, charge states and cathode voltages. These results demonstrate that the CT-MEAM dynamic charge potential could help to overcome the challenge of modeling complex ternary transition metal oxides. This work can promote molecular dynamics studies of Li ion cathode materials and other important transition metal oxides systems that involve complex electrochemical and catalytic reactions.

Dynamics of Surface Reorganization of Poly(methyl methacrylate) in Contact with Water

NASA Astrophysics Data System (ADS)

Horinouchi, Ayanobu; Atarashi, Hironori; Fujii, Yoshihisa; Tanaka, Keiji

2013-03-01

New tools for tailor-made diagnostics, such as DNA arrays and tips for micro-total-analysis systems, are generally made from polymers. In these applications, the polymer surface is in contact with a water phase. However, despite the importance of detailed knowledge of the fundamental interactions of polymer interfaces with liquids, such studies are very limited. As an initial benchmark for designing and constructing specialized biomedical surfaces containing polymer, aggregation states and dynamics of chains at the water interface should be systematically examined. We here apply time-resolved contact angle measurement to study the dynamics of the surface reorganization of poly(methyl methacrylate) (PMMA) in contact with water. By doing the measurements at various temperatures, it is possible to discuss the surface dynamics of PMMA based on the apparent activation energy. Also, sum-frequency generation spectroscopy revealed that the surface reorganization involves the conformational changes in the main chain part as well as the side chains. Hence, the dynamics observed here may reflect the segmental motion at the outermost region of the PMMA film, in which water plays as a plasticizer.

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

PubMed Central

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

2007-01-01

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

Dynamic characterization of high damping viscoelastic materials from vibration test data

NASA Astrophysics Data System (ADS)

Martinez-Agirre, Manex; Elejabarrieta, María Jesús

2011-08-01

The numerical analysis and design of structural systems involving viscoelastic damping materials require knowledge of material properties and proper mathematical models. A new inverse method for the dynamic characterization of high damping and strong frequency-dependent viscoelastic materials from vibration test data measured by forced vibration tests with resonance is presented. Classical material parameter extraction methods are reviewed; their accuracy for characterizing high damping materials is discussed; and the bases of the new analysis method are detailed. The proposed inverse method minimizes the residue between the experimental and theoretical dynamic response at certain discrete frequencies selected by the user in order to identify the parameters of the material constitutive model. Thus, the material properties are identified in the whole bandwidth under study and not just at resonances. Moreover, the use of control frequencies makes the method insensitive to experimental noise and the efficiency is notably enhanced. Therefore, the number of tests required is drastically reduced and the overall process is carried out faster and more accurately. The effectiveness of the proposed method is demonstrated with the characterization of a CLD (constrained layer damping) cantilever beam. First, the elastic properties of the constraining layers are identified from the dynamic response of a metallic cantilever beam. Then, the viscoelastic properties of the core, represented by a four-parameter fractional derivative model, are identified from the dynamic response of a CLD cantilever beam.

Modeling, control, and dynamic performance analysis of a reverse osmosis desalination plant integrated within hybrid energy systems

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

Kim, Jong Suk; Chen, Jun; Garcia, Humberto E.

An RO (reverse osmosis) desalination plant is proposed as an effective, FLR (flexible load resource) to be integrated into HES (hybrid energy systems) to support various types of ancillary services to the electric grid, under variable operating conditions. To study the dynamic (transient) analysis of such system, among the various unit operations within HES, special attention is given here to the detailed dynamic modeling and control design of RO desalination process with a spiral-wound membrane module. The model incorporates key physical phenomena that have been investigated individually into a dynamic integrated model framework. In particular, the solution-diffusion model modified withmore » the concentration polarization theory is applied to predict RO performance over a large range of operating conditions. Simulation results involving several case studies suggest that an RO desalination plant, acting as a FLR, can provide operational flexibility to participate in energy management at the utility scale by dynamically optimizing the use of excess electrical energy. Here, the incorporation of additional commodity (fresh water) produced from a FLR allows a broader range of HES operations for maximizing overall system performance and profitability. For the purpose of assessing the incorporation of health assessment into process operations, an online condition monitoring approach for RO membrane fouling supervision is addressed in the case study presented.« less

Modeling, control, and dynamic performance analysis of a reverse osmosis desalination plant integrated within hybrid energy systems

DOE PAGES

Kim, Jong Suk; Chen, Jun; Garcia, Humberto E.

2016-06-17

An RO (reverse osmosis) desalination plant is proposed as an effective, FLR (flexible load resource) to be integrated into HES (hybrid energy systems) to support various types of ancillary services to the electric grid, under variable operating conditions. To study the dynamic (transient) analysis of such system, among the various unit operations within HES, special attention is given here to the detailed dynamic modeling and control design of RO desalination process with a spiral-wound membrane module. The model incorporates key physical phenomena that have been investigated individually into a dynamic integrated model framework. In particular, the solution-diffusion model modified withmore » the concentration polarization theory is applied to predict RO performance over a large range of operating conditions. Simulation results involving several case studies suggest that an RO desalination plant, acting as a FLR, can provide operational flexibility to participate in energy management at the utility scale by dynamically optimizing the use of excess electrical energy. Here, the incorporation of additional commodity (fresh water) produced from a FLR allows a broader range of HES operations for maximizing overall system performance and profitability. For the purpose of assessing the incorporation of health assessment into process operations, an online condition monitoring approach for RO membrane fouling supervision is addressed in the case study presented.« less

Bifurcation Analysis on Phase-Amplitude Cross-Frequency Coupling in Neural Networks with Dynamic Synapses

PubMed Central

Sase, Takumi; Katori, Yuichi; Komuro, Motomasa; Aihara, Kazuyuki

2017-01-01

We investigate a discrete-time network model composed of excitatory and inhibitory neurons and dynamic synapses with the aim at revealing dynamical properties behind oscillatory phenomena possibly related to brain functions. We use a stochastic neural network model to derive the corresponding macroscopic mean field dynamics, and subsequently analyze the dynamical properties of the network. In addition to slow and fast oscillations arising from excitatory and inhibitory networks, respectively, we show that the interaction between these two networks generates phase-amplitude cross-frequency coupling (CFC), in which multiple different frequency components coexist and the amplitude of the fast oscillation is modulated by the phase of the slow oscillation. Furthermore, we clarify the detailed properties of the oscillatory phenomena by applying the bifurcation analysis to the mean field model, and accordingly show that the intermittent and the continuous CFCs can be characterized by an aperiodic orbit on a closed curve and one on a torus, respectively. These two CFC modes switch depending on the coupling strength from the excitatory to inhibitory networks, via the saddle-node cycle bifurcation of a one-dimensional torus in map (MT1SNC), and may be associated with the function of multi-item representation. We believe that the present model might have potential for studying possible functional roles of phase-amplitude CFC in the cerebral cortex. PMID:28424606

Fatigue assessment of an existing steel bridge by finite element modelling and field measurements

NASA Astrophysics Data System (ADS)

Kwad, J.; Alencar, G.; Correia, J.; Jesus, A.; Calçada, R.; Kripakaran, P.

2017-05-01

The evaluation of fatigue life of structural details in metallic bridges is a major challenge for bridge engineers. A reliable and cost-effective approach is essential to ensure appropriate maintenance and management of these structures. Typically, local stresses predicted by a finite element model of the bridge are employed to assess the fatigue life of fatigue-prone details. This paper illustrates an approach for fatigue assessment based on measured data for a connection in an old bascule steel bridge located in Exeter (UK). A finite element model is first developed from the design information. The finite element model of the bridge is calibrated using measured responses from an ambient vibration test. The stress time histories are calculated through dynamic analysis of the updated finite element model. Stress cycles are computed through the rainflow counting algorithm, and the fatigue prone details are evaluated using the standard SN curves approach and the Miner’s rule. Results show that the proposed approach can estimate the fatigue damage of a fatigue prone detail in a structure using measured strain data.

Theoretical studies on bimolecular reaction dynamics

PubMed Central

Clary, David C.

2008-01-01

This perspective discusses progress in the theory of bimolecular reaction dynamics in the gas phase. The examples selected show that definitive quantum dynamical computations are providing insights into the detailed mechanisms of chemical reactions. PMID:18626015

Crewed Mission to Callisto Using Advanced Plasma Propulsion Systems

NASA Technical Reports Server (NTRS)

Adams, R. B.; Statham, G.; White, S.; Patton, B.; Thio, Y. C. F.; Santarius, J.; Alexander, R.; Fincher, S.; Polsgrove, T.; Chapman, J.

2003-01-01

This paper describes the engineering of several vehicles designed for a crewed mission to the Jovian satellite Callisto. Each subsystem is discussed in detail. Mission and trajectory analysis for each mission concept is described. Crew support components are also described. Vehicles were developed using both fission powered magneto plasma dynamic (MPD) thrusters and magnetized target fusion (MTF) propulsion systems. Conclusions were drawn regarding the usefulness of these propulsion systems for crewed exploration of the outer solar system.

The forced vibration of one-dimensional multi-coupled periodic structures: An application to finite element analysis

NASA Astrophysics Data System (ADS)

Mead, Denys J.

2009-01-01

A general theory for the forced vibration of multi-coupled one-dimensional periodic structures is presented as a sequel to a much earlier general theory for free vibration. Starting from the dynamic stiffness matrix of a single multi-coupled periodic element, it derives matrix equations for the magnitudes of the characteristic free waves excited in the whole structure by prescribed harmonic forces and/or displacements acting at a single periodic junction. The semi-infinite periodic system excited at its end is first analysed to provide the basis for analysing doubly infinite and finite periodic systems. In each case, total responses are found by considering just one periodic element. An already-known method of reducing the size of the computational problem is reexamined, expanded and extended in detail, involving reduction of the dynamic stiffness matrix of the periodic element through a wave-coordinate transformation. Use of the theory is illustrated in a combined periodic structure+finite element analysis of the forced harmonic in-plane motion of a uniform flat plate. Excellent agreement between the computed low-frequency responses and those predicted by simple engineering theories validates the detailed formulations of the paper. The primary purpose of the paper is not towards a specific application but to present a systematic and coherent forced vibration theory, carefully linked with the existing free-wave theory.

Routing the asteroid surface vehicle with detailed mechanics

NASA Astrophysics Data System (ADS)

Yu, Yang; Baoyin, He-Xi

2014-06-01

The motion of a surface vehicle on/above an irregular object is investigated for a potential interest in the insitu explorations to asteroids of the solar system. A global valid numeric method, including detailed gravity and geomorphology, is developed to mimic the behaviors of the test particles governed by the orbital equations and surface coupling effects. A general discussion on the surface mechanical environment of a specified asteroid, 1620 Geographos, is presented to make a global evaluation of the surface vehicle's working conditions. We show the connections between the natural trajectories near the ground and differential features of the asteroid surface, which describes both the good and bad of typical terrains from the viewpoint of vehicles' dynamic performances. Monte Carlo simulations are performed to take a further look at the trajectories of particles initializing near the surface. The simulations reveal consistent conclusions with the analysis, i.e., the open-field flat ground and slightly concave basins/valleys are the best choices for the vehicles' dynamical security. The dependence of decending trajectories on the releasing height is studied as an application; the results show that the pole direction (where the centrifugal force is zero) is the most stable direction in which the shift of a natural trajectory will be well limited after landing. We present this work as an example for pre-analysis that provides guidance to engineering design of the exploration site and routing the surface vehicles.

Pea Border Cell Maturation and Release Involve Complex Cell Wall Structural Dynamics1[OPEN

PubMed Central

2017-01-01

The adhesion of plant cells is vital for support and protection of the plant body and is maintained by a variety of molecular associations between cell wall components. In some specialized cases, though, plant cells are programmed to detach, and root cap-derived border cells are examples of this. Border cells (in some species known as border-like cells) provide an expendable barrier between roots and the environment. Their maturation and release is an important but poorly characterized cell separation event. To gain a deeper insight into the complex cellular dynamics underlying this process, we undertook a systematic, detailed analysis of pea (Pisum sativum) root tip cell walls. Our study included immunocarbohydrate microarray profiling, monosaccharide composition determination, Fourier-transformed infrared microspectroscopy, quantitative reverse transcription-PCR of cell wall biosynthetic genes, analysis of hydrolytic activities, transmission electron microscopy, and immunolocalization of cell wall components. Using this integrated glycobiology approach, we identified multiple novel modes of cell wall structural and compositional rearrangement during root cap growth and the release of border cells. Our findings provide a new level of detail about border cell maturation and enable us to develop a model of the separation process. We propose that loss of adhesion by the dissolution of homogalacturonan in the middle lamellae is augmented by an active biophysical process of cell curvature driven by the polarized distribution of xyloglucan and extensin epitopes. PMID:28400496

Incorporating spatial constraint in co-activation pattern analysis to explore the dynamics of resting-state networks: An application to Parkinson's disease.

PubMed

Zhuang, Xiaowei; Walsh, Ryan R; Sreenivasan, Karthik; Yang, Zhengshi; Mishra, Virendra; Cordes, Dietmar

2018-05-15

The dynamics of the brain's intrinsic networks have been recently studied using co-activation pattern (CAP) analysis. The CAP method relies on few model assumptions and CAP-based measurements provide quantitative information of network temporal dynamics. One limitation of existing CAP-related methods is that the computed CAPs share considerable spatial overlap that may or may not be functionally distinct relative to specific network dynamics. To more accurately describe network dynamics with spatially distinct CAPs, and to compare network dynamics between different populations, a novel data-driven CAP group analysis method is proposed in this study. In the proposed method, a dominant-CAP (d-CAP) set is synthesized across CAPs from multiple clustering runs for each group with the constraint of low spatial similarities among d-CAPs. Alternating d-CAPs with less overlapping spatial patterns can better capture overall network dynamics. The number of d-CAPs, the temporal fraction and spatial consistency of each d-CAP, and the subject-specific switching probability among all d-CAPs are then calculated for each group and used to compare network dynamics between groups. The spatial dissimilarities among d-CAPs computed with the proposed method were first demonstrated using simulated data. High consistency between simulated ground-truth and computed d-CAPs was achieved, and detailed comparisons between the proposed method and existing CAP-based methods were conducted using simulated data. In an effort to physiologically validate the proposed technique and investigate network dynamics in a relevant brain network disorder, the proposed method was then applied to data from the Parkinson's Progression Markers Initiative (PPMI) database to compare the network dynamics in Parkinson's disease (PD) and normal control (NC) groups. Fewer d-CAPs, skewed distribution of temporal fractions of d-CAPs, and reduced switching probabilities among final d-CAPs were found in most networks in the PD group, as compared to the NC group. Furthermore, an overall negative association between switching probability among d-CAPs and disease severity was observed in most networks in the PD group as well. These results expand upon previous findings from in vivo electrophysiological recording studies in PD. Importantly, this novel analysis also demonstrates that changes in network dynamics can be measured using resting-state fMRI data from subjects with early stage PD. Copyright © 2018 Elsevier Inc. All rights reserved.

Integrated aerodynamic/dynamic/structural optimization of helicopter rotor blades using multilevel decomposition

NASA Technical Reports Server (NTRS)

Walsh, Joanne L.; Young, Katherine C.; Pritchard, Jocelyn I.; Adelman, Howard M.; Mantay, Wayne R.

1995-01-01

This paper describes an integrated aerodynamic/dynamic/structural (IADS) optimization procedure for helicopter rotor blades. The procedure combines performance, dynamics, and structural analyses with a general-purpose optimizer using multilevel decomposition techniques. At the upper level, the structure is defined in terms of global quantities (stiffness, mass, and average strains). At the lower level, the structure is defined in terms of local quantities (detailed dimensions of the blade structure and stresses). The IADS procedure provides an optimization technique that is compatible with industrial design practices in which the aerodynamic and dynamic designs are performed at a global level and the structural design is carried out at a detailed level with considerable dialog and compromise among the aerodynamic, dynamic, and structural groups. The IADS procedure is demonstrated for several examples.

Multilevel decomposition approach to integrated aerodynamic/dynamic/structural optimization of helicopter rotor blades

NASA Technical Reports Server (NTRS)

Walsh, Joanne L.; Young, Katherine C.; Pritchard, Jocelyn I.; Adelman, Howard M.; Mantay, Wayne R.

1994-01-01

This paper describes an integrated aerodynamic, dynamic, and structural (IADS) optimization procedure for helicopter rotor blades. The procedure combines performance, dynamics, and structural analyses with a general purpose optimizer using multilevel decomposition techniques. At the upper level, the structure is defined in terms of local quantities (stiffnesses, mass, and average strains). At the lower level, the structure is defined in terms of local quantities (detailed dimensions of the blade structure and stresses). The IADS procedure provides an optimization technique that is compatible with industrial design practices in which the aerodynamic and dynamic design is performed at a global level and the structural design is carried out at a detailed level with considerable dialogue and compromise among the aerodynamic, dynamic, and structural groups. The IADS procedure is demonstrated for several cases.

Modal Analysis of a Steel Radial Gate Exposed to Different Water Levels

NASA Astrophysics Data System (ADS)

Brusewicz, Krzysztof; Sterpejkowicz-Wersocki, Witold; Jankowski, Robert

2017-06-01

With the increase in water retention needs and planned river regulation, it might be important to investigate the dynamic resistance of vulnerable elements of hydroelectric power plants, including steelwater locks. The most frequent dynamic loads affecting hydroengineering structures in Poland include vibrations caused by heavy road and railway traffic, piling works and mining tremors. More destructive dynamic loads, including earthquakes, may also occur in our country, although their incidence is relatively low. However, given the unpredictable nature of such events, as well as serious consequences they might cause, the study of the seismic resistance of the steel water gate, as one of the most vulnerable elements of a hydroelectric power plant, seems to be important. In this study, a steel radial gate has been analyzed. As far as water gates are concerned, it is among the most popular solutions because of its relatively small weight, compared to plain gates. A modal analysis of the steel radial gate was conducted with the use of the FEM in the ABAQUS software. All structural members were modelled using shell elements with detailed geometry representing a real structure.Water was modelled as an added mass affecting the structure. Different water levels were used to determine the most vulnerable state of the working steel water gate. The results of the modal analysis allowed us to compare the frequencies and their eigenmodes in response to different loads, which is one of the first steps in researching the dynamic properties of steel water gates and their behaviour during extreme dynamic loads, including earthquakes.

Specialized data analysis for the Space Shuttle Main Engine and diagnostic evaluation of advanced propulsion system components

NASA Technical Reports Server (NTRS)

1993-01-01

The Marshall Space Flight Center is responsible for the development and management of advanced launch vehicle propulsion systems, including the Space Shuttle Main Engine (SSME), which is presently operational, and the Space Transportation Main Engine (STME) under development. The SSME's provide high performance within stringent constraints on size, weight, and reliability. Based on operational experience, continuous design improvement is in progress to enhance system durability and reliability. Specialized data analysis and interpretation is required in support of SSME and advanced propulsion system diagnostic evaluations. Comprehensive evaluation of the dynamic measurements obtained from test and flight operations is necessary to provide timely assessment of the vibrational characteristics indicating the operational status of turbomachinery and other critical engine components. Efficient performance of this effort is critical due to the significant impact of dynamic evaluation results on ground test and launch schedules, and requires direct familiarity with SSME and derivative systems, test data acquisition, and diagnostic software. Detailed analysis and evaluation of dynamic measurements obtained during SSME and advanced system ground test and flight operations was performed including analytical/statistical assessment of component dynamic behavior, and the development and implementation of analytical/statistical models to efficiently define nominal component dynamic characteristics, detect anomalous behavior, and assess machinery operational condition. In addition, the SSME and J-2 data will be applied to develop vibroacoustic environments for advanced propulsion system components, as required. This study will provide timely assessment of engine component operational status, identify probable causes of malfunction, and indicate feasible engineering solutions. This contract will be performed through accomplishment of negotiated task orders.

Information Mining of Spatio-Temporal Evolution of Lakes Based on Multiple Dynamic Measurements

NASA Astrophysics Data System (ADS)

Feng, W.; Chen, J.

2017-09-01

Lakes are important water resources and integral parts of the natural ecosystem, and it is of great significance to study the evolution of lakes. The area of each lake increased and decreased at the same time in natural condition, only but the net change of lakes' area is the result of the bidirectional evolution of lakes. In this paper, considering the effects of net fragmentation, net attenuation, swap change and spatial invariant part in lake evolution, a comprehensive evaluation indexes of lake dynamic evolution were defined,. Such degree contains three levels of measurement: 1) the swap dynamic degree (SDD) reflects the space activity of lakes in the study period. 2) the attenuation dynamic degree (ADD) reflects the net attenuation of lakes into non-lake areas. 3) the fragmentation dynamic degree (FDD) reflects the trend of lakes to be divided and broken into smaller lakes. Three levels of dynamic measurement constitute the three-dimensional "Swap - attenuation - fragmentation" dynamic evolution measurement system of lakes. To show its effectiveness, the dynamic measurement was applied to lakes in Jianghan Plain, the middle Yangtze region of China for a more detailed analysis of lakes from 1984 to 2014. In combination with spatial-temporal location characteristics of lakes, the hidden information in lake evolution in the past 30 years can be revealed.

Analytical Prediction of the Seismic Response of a Reinforced Concrete Containment Vessel

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

James, R.J.; Rashid, Y.R.; Cherry, J.L.

Under the sponsorship of the Ministry of International Trade and Industry (MITI) of Japan, the Nuclear Power Engineering Corporation (NUPEC) is investigating the seismic behavior of a Reinforced Concrete Containment Vessel (RCCV) through scale-model testing using the high-performance shaking table at the Tadotsu Engineering Laboratory. A series of tests representing design-level seismic ground motions was initially conducted to gather valuable experimental measurements for use in design verification. Additional tests will be conducted with increasing amplifications of the seismic input until a structural failure of the test model occurs. In a cooperative program with NUPEC, the US Nuclear Regulatory Commission (USNRC),more » through Sandia National Laboratories (SNL), is conducting analytical research on the seismic behavior of RCCV structures. As part of this program, pretest analytical predictions of the model tests are being performed. The dynamic time-history analysis utilizes a highly detailed concrete constitutive model applied to a three-dimensional finite element representation of the test structure. This paper describes the details of the analysis model and provides analysis results.« less

Sensor image prediction techniques

NASA Astrophysics Data System (ADS)

Stenger, A. J.; Stone, W. R.; Berry, L.; Murray, T. J.

1981-02-01

The preparation of prediction imagery is a complex, costly, and time consuming process. Image prediction systems which produce a detailed replica of the image area require the extensive Defense Mapping Agency data base. The purpose of this study was to analyze the use of image predictions in order to determine whether a reduced set of more compact image features contains enough information to produce acceptable navigator performance. A job analysis of the navigator's mission tasks was performed. It showed that the cognitive and perceptual tasks he performs during navigation are identical to those performed for the targeting mission function. In addition, the results of the analysis of his performance when using a particular sensor can be extended to the analysis of this mission tasks using any sensor. An experimental approach was used to determine the relationship between navigator performance and the type of amount of information in the prediction image. A number of subjects were given image predictions containing varying levels of scene detail and different image features, and then asked to identify the predicted targets in corresponding dynamic flight sequences over scenes of cultural, terrain, and mixed (both cultural and terrain) content.

Space Shuttle main engine nozzle-steerhorn dynamics

NASA Technical Reports Server (NTRS)

Kiefling, L.

1981-01-01

On two occasions during the Space Shuttle main engine development, the LH2 feedline (called the steerhorn, because of its shape) failed during the cutoff transient. A dynamic test was undertaken, and an analytical model was developed and correlated to the dynamic test. Detailed models of the tube bundle were required to obtain the equivalent shell coefficients. All-shell models of the nozzle wall were found better than beam-shell models. The most difficult part of the structure to simulate was the felt-metal pad between the feedline and its mount, which introduced nonlinear stiffness and damping and led to the use of separate low amplitude and high amplitude models. The total structure was found to have 400 modes in the frequency range of interest, 0 to 500 Hz. Good test analysis correlation was obtained and a modified feedline configuration was found to demonstrate a 40% reduction of response stress from the original configuration.

Recent advances in parametric neuroreceptor mapping with dynamic PET: basic concepts and graphical analyses.

PubMed

Seo, Seongho; Kim, Su Jin; Lee, Dong Soo; Lee, Jae Sung

2014-10-01

Tracer kinetic modeling in dynamic positron emission tomography (PET) has been widely used to investigate the characteristic distribution patterns or dysfunctions of neuroreceptors in brain diseases. Its practical goal has progressed from regional data quantification to parametric mapping that produces images of kinetic-model parameters by fully exploiting the spatiotemporal information in dynamic PET data. Graphical analysis (GA) is a major parametric mapping technique that is independent on any compartmental model configuration, robust to noise, and computationally efficient. In this paper, we provide an overview of recent advances in the parametric mapping of neuroreceptor binding based on GA methods. The associated basic concepts in tracer kinetic modeling are presented, including commonly-used compartment models and major parameters of interest. Technical details of GA approaches for reversible and irreversible radioligands are described, considering both plasma input and reference tissue input models. Their statistical properties are discussed in view of parametric imaging.

Comparative characterization of short monomeric polyglutamine peptides by replica exchange molecular dynamics simulation.

PubMed

Nakano, Miki; Watanabe, Hirofumi; Rothstein, Stuart M; Tanaka, Shigenori

2010-05-27

Polyglutamine (polyQ) diseases are caused by an abnormal expansion of CAG repeats. While their detailed structure remains unclear, polyQ peptides assume beta-sheet structures when they aggregate. To investigate the conformational ensemble of short, monomeric polyQ peptides, which consist of 15 glutamine residues (Q(15)), we performed replica exchange molecular dynamics (REMD) simulations. We found that Q(15) can assume multiple configurations due to all of the residues affecting the formation of side-chain hydrogen bonds. Analysis of the free energy landscape reveals that Q(15) has a basin for random-coil structures and another for alpha-helix or beta-turn structures. To investigate properties of aggregated polyQ peptides, we performed multiple molecular dynamics (MMD) simulations for monomeric and oligomeric Q(15). MMD revealed that the formation of oligomers stabilizes the beta-turn structure by increasing the number of hydrogen bonds between the main chains.

Dynamics near the threshold for blowup in the one-dimensional focusing nonlinear Klein-Gordon equation

NASA Astrophysics Data System (ADS)

Bizoń, Piotr; Chmaj, Tadeusz; Szpak, Nikodem

2011-10-01

We study dynamics near the threshold for blowup in the focusing nonlinear Klein-Gordon equation utt - uxx + u - |u|2αu = 0 on the line. Using mixed numerical and analytical methods we find that solutions starting from even initial data, fine-tuned to the threshold, are trapped by the static solution S for intermediate times. The details of trapping are shown to depend on the power α, namely, we observe fast convergence to S for α > 1, slow convergence for α = 1, and very slow (if any) convergence for 0 < α < 1. Our findings are complementary with respect to the recent rigorous analysis of the same problem (for α > 2) by Krieger, Nakanishi, and Schlag ["Global dynamics above from the ground state energy for the one-dimensional NLKG equation," preprint arXiv:1011.1776 [math.AP

Comprehensive Lipidome-Wide Profiling Reveals Dynamic Changes of Tea Lipids during Manufacturing Process of Black Tea.

PubMed

Li, Jia; Hua, Jinjie; Zhou, Qinghua; Dong, Chunwang; Wang, Jinjin; Deng, Yuliang; Yuan, Haibo; Jiang, Yongwen

2017-11-22

As important biomolecules in Camellia sinensis L., lipids undergo substantial changes during black tea manufacture, which is considered to contribute to tea sensory quality. However, limited by analytical capacity, detailed lipid composition and its dynamic changes during black tea manufacture remain unclear. Herein, we performed tea lipidome profiling using high resolution liquid chromatography coupled to mass spectrometry (LC-MS), which allows simultaneous and robust analysis of 192 individual lipid species in black tea, covering 17 (sub)classes. Furthermore, dynamic changes of tea lipids during black tea manufacture were investigated. Significant alterations of lipid pattern were revealed, involved with chlorophyll degradation, metabolic pathways of glycoglycerolipids, and other extraplastidial membrane lipids. To our knowledge, this report presented most comprehensive coverage of lipid species in black tea. This study provides a global and in-depth metabolic map of tea lipidome during black tea manufacture.

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

Bettoni, Dario; Nusser, Adi; Blas, Diego

We develop the framework for testing Lorentz invariance in the dark matter sector using galactic dynamics. We consider a Lorentz violating (LV) vector field acting on the dark matter component of a satellite galaxy orbiting in a host halo. We introduce a numerical model for the dynamics of satellites in a galactic halo and for a galaxy in a rich cluster to explore observational consequences of such an LV field. The orbital motion of a satellite excites a time dependent LV force which greatly affects its internal dynamics. Our analysis points out key observational signatures which serve as probes ofmore » LV forces. These include modifications to the line of sight velocity dispersion, mass profiles and shapes of satellites. With future data and a more detailed modeling these signatures can be exploited to constrain a new region of the parameter space describing the LV in the dark matter sector.« less

Single electron dynamics in a Hall thruster electromagnetic field profile

NASA Astrophysics Data System (ADS)

Marini, Samuel; Pakter, Renato

2017-05-01

In this work, the single electron dynamics in a simplified three dimensional Hall thruster model is studied. Using Hamiltonian formalism and the concept of limiting curves, one is able to determine confinement conditions for the electron in the acceleration channel. It is shown that as a given parameter of the electromagnetic field is changed, the particle trajectory may transit from regular to chaotic without affecting the confinement, which allows one to make a detailed analysis of the role played by the chaos. The ionization volume is also computed, which measures the probability of an electron to ionize background gas atoms. It is found that there is a great correlation between chaos and increased effective ionization volume. This indicates that a complex dynamical behavior may improve the device efficiency by augmenting the ionization capability of each electron, requiring an overall lower electron current.

Winner-take-all in a phase oscillator system with adaptation.

PubMed

Burylko, Oleksandr; Kazanovich, Yakov; Borisyuk, Roman

2018-01-11

We consider a system of generalized phase oscillators with a central element and radial connections. In contrast to conventional phase oscillators of the Kuramoto type, the dynamic variables in our system include not only the phase of each oscillator but also the natural frequency of the central oscillator, and the connection strengths from the peripheral oscillators to the central oscillator. With appropriate parameter values the system demonstrates winner-take-all behavior in terms of the competition between peripheral oscillators for the synchronization with the central oscillator. Conditions for the winner-take-all regime are derived for stationary and non-stationary types of system dynamics. Bifurcation analysis of the transition from stationary to non-stationary winner-take-all dynamics is presented. A new bifurcation type called a Saddle Node on Invariant Torus (SNIT) bifurcation was observed and is described in detail. Computer simulations of the system allow an optimal choice of parameters for winner-take-all implementation.

The motion and control of a complex three-body space tethered system

NASA Astrophysics Data System (ADS)

Shi, Gefei; Zhu, Zhanxia; Chen, Shiyu; Yuan, Jianping; Tang, Biwei

2017-11-01

This paper is mainly devoted to investigating the dynamics and stability control of a three body-tethered satellite system which contains a main satellite and two subsatellites connected by two straight, massless and inextensible tethers. Firstly, a detailed mathematical model is established in the central gravitational field. Then, the dynamic characteristics of the established system are investigated and analyzed. Based on the dynamic analysis, a novel sliding mode prediction model (SMPM) control strategy is proposed to suppress the motion of the built tethered system. The numerical results show that the proposed underactuated control law is highly effective in suppressing the attitude/libration motion of the underactuated three-body tethered system. Furthermore, cases of different target angles are also examined and analyzed. The simulation results reveal that even if the final equilibrium states differ from different selections of the target angles, the whole system can still be maintained in acceptable areas.

Self-organization in suspensions of end-functionalized semiflexible polymers under shear flow

NASA Astrophysics Data System (ADS)

Myung, Jin Suk; Winkler, Roland G.; Gompper, Gerhard

2015-12-01

The nonequilibrium dynamical behavior and structure formation of end-functionalized semiflexible polymer suspensions under flow are investigated by mesoscale hydrodynamic simulations. The hybrid simulation approach combines the multiparticle collision dynamics method for the fluid, which accounts for hydrodynamic interactions, with molecular dynamics simulations for the semiflexible polymers. In equilibrium, various kinds of scaffold-like network structures are observed, depending on polymer flexibility and end-attraction strength. We investigate the flow behavior of the polymer networks under shear and analyze their nonequilibrium structural and rheological properties. The scaffold structure breaks up and densified aggregates are formed at low shear rates, while the structural integrity is completely lost at high shear rates. We provide a detailed analysis of the shear- rate-dependent flow-induced structures. The studies provide a deeper understanding of the formation and deformation of network structures in complex materials.

Ab Initio Multiple Spawning Photochemical Dynamics of DMABN Using GPUs

DOE PAGES

Curchod, Basile F. E.; Sisto, Aaron; Martinez, Todd J.

2016-12-15

The ultrafast decay dynamics of 4-( N,N-dimethylamino)benzonitrile (DMABN) following photoexcitation was studied with the ab initio multiple spawning (AIMS) method, combined with GPU-accelerated linear-response time-dependent density functional theory (LR-TDDFT). We validate the LR-TDDFT method for this case and then present a detailed analysis of the first ≈200 fs of DMABN excited-state dynamics. Almost complete nonadiabatic population transfer from S 2 (the initially populated bright state) to S 1 takes place in less than 50 fs, without significant torsion of the dimethylamino (DMA) group. Significant torsion of the DMA group is only observed after the nuclear wavepacket reaches S 1 andmore » acquires locally excited electronic character. Here, our results show that torsion of the DMA group is not prerequisite for nonadiabatic transitions in DMABN, although such motion is indeed relevant on the lowest excited state (S 1).« less