A Microwave Radiometric Method to Obtain the Average Path Profile of Atmospheric Temperature and Humidity Structure Parameters and Its Application to Optical Propagation System Assessment

NASA Technical Reports Server (NTRS)

Manning, Robert M.; Vyhnalek, Brian E.

2015-01-01

The values of the key atmospheric propagation parameters Ct2, Cq2, and Ctq are highly dependent upon the vertical height within the atmosphere thus making it necessary to specify profiles of these values along the atmospheric propagation path. The remote sensing method suggested and described in this work makes use of a rapidly integrating microwave profiling radiometer to capture profiles of temperature and humidity through the atmosphere. The integration times of currently available profiling radiometers are such that they are approaching the temporal intervals over which one can possibly make meaningful assessments of these key atmospheric parameters. Since these parameters are fundamental to all propagation conditions, they can be used to obtain Cn2 profiles for any frequency, including those for an optical propagation path. In this case the important performance parameters of the prevailing isoplanatic angle and Greenwood frequency can be obtained. The integration times are such that Kolmogorov turbulence theory and the Taylor frozen-flow hypothesis must be transcended. Appropriate modifications to these classical approaches are derived from first principles and an expression for the structure functions are obtained. The theory is then applied to an experimental scenario and shows very good results.

Economic evaluation in chronic pain: a systematic review and de novo flexible economic model.

PubMed

Sullivan, W; Hirst, M; Beard, S; Gladwell, D; Fagnani, F; López Bastida, J; Phillips, C; Dunlop, W C N

2016-07-01

There is unmet need in patients suffering from chronic pain, yet innovation may be impeded by the difficulty of justifying economic value in a field beset by data limitations and methodological variability. A systematic review was conducted to identify and summarise the key areas of variability and limitations in modelling approaches in the economic evaluation of treatments for chronic pain. The results of the literature review were then used to support the development of a fully flexible open-source economic model structure, designed to test structural and data assumptions and act as a reference for future modelling practice. The key model design themes identified from the systematic review included: time horizon; titration and stabilisation; number of treatment lines; choice/ordering of treatment; and the impact of parameter uncertainty (given reliance on expert opinion). Exploratory analyses using the model to compare a hypothetical novel therapy versus morphine as first-line treatments showed cost-effectiveness results to be sensitive to structural and data assumptions. Assumptions about the treatment pathway and choice of time horizon were key model drivers. Our results suggest structural model design and data assumptions may have driven previous cost-effectiveness results and ultimately decisions based on economic value. We therefore conclude that it is vital that future economic models in chronic pain are designed to be fully transparent and hope our open-source code is useful in order to aspire to a common approach to modelling pain that includes robust sensitivity analyses to test structural and parameter uncertainty.

The effect of structural design parameters on FPGA-based feed-forward space-time trellis coding-orthogonal frequency division multiplexing channel encoders

NASA Astrophysics Data System (ADS)

Passas, Georgios; Freear, Steven; Fawcett, Darren

2010-08-01

Orthogonal frequency division multiplexing (OFDM)-based feed-forward space-time trellis code (FFSTTC) encoders can be synthesised as very high speed integrated circuit hardware description language (VHDL) designs. Evaluation of their FPGA implementation can lead to conclusions that help a designer to decide the optimum implementation, given the encoder structural parameters. VLSI architectures based on 1-bit multipliers and look-up tables (LUTs) are compared in terms of FPGA slices and block RAMs (area), as well as in terms of minimum clock period (speed). Area and speed graphs versus encoder memory order are provided for quadrature phase shift keying (QPSK) and 8 phase shift keying (8-PSK) modulation and two transmit antennas, revealing best implementation under these conditions. The effect of number of modulation bits and transmit antennas on the encoder implementation complexity is also investigated.

Structural investigation of the Grenville Province by radar and other imaging and nonimaging sensors

NASA Technical Reports Server (NTRS)

Lowman, P. D., Jr.; Blodget, H. W.; Webster, W. J., Jr.; Paia, S.; Singhroy, V. H.; Slaney, V. R.

1984-01-01

The structural investigation of the Canadian Shield by orbital radar and LANDSAT, is outlined. The area includes parts of the central metasedimentary belt and the Ontario gneiss belt, and major structures as well-expressed topographically. The primary objective is to apply SIR-B data to the mapping of this key part of the Grenville orogen, specifically ductile fold structures and associated features, and igneous, metamorphic, and sedimentary rock (including glacial and recent sediments). Secondary objectives are to support the Canadian RADARSAT project by evaluating the baseline parameters of a Canadian imaging radar satellite planned for late in the decade. The baseline parameters include optimum incidence and azimuth angles. The experiment is to develop techniques for the use of multiple data sets.

Research on key factors and their interaction effects of electromagnetic force of high-speed solenoid valve.

PubMed

Liu, Peng; Fan, Liyun; Hayat, Qaisar; Xu, De; Ma, Xiuzhen; Song, Enzhe

2014-01-01

Analysis consisting of numerical simulations along with lab experiments of interaction effects between key parameters on the electromagnetic force based on response surface methodology (RSM) has been also proposed to optimize the design of high-speed solenoid valve (HSV) and improve its performance. Numerical simulation model of HSV has been developed in Ansoft Maxwell environment and its accuracy has been validated through lab experiments. Effect of change of core structure, coil structure, armature structure, working air gap, and drive current on the electromagnetic force of HSV has been analyzed through simulation model and influence rules of various parameters on the electromagnetic force have been established. The response surface model of the electromagnetic force has been utilized to analyze the interaction effect between major parameters. It has been concluded that six interaction factors including working air gap with armature radius, drive current with armature thickness, coil turns with side pole radius, armature thickness with its radius, armature thickness with side pole radius, and armature radius with side pole radius have significant influence on the electromagnetic force. Optimal match values between coil turns and side pole radius; armature thickness and side pole radius; and armature radius and side pole radius have also been determined.

Research on Key Factors and Their Interaction Effects of Electromagnetic Force of High-Speed Solenoid Valve

PubMed Central

Fan, Liyun; Xu, De; Ma, Xiuzhen; Song, Enzhe

2014-01-01

Analysis consisting of numerical simulations along with lab experiments of interaction effects between key parameters on the electromagnetic force based on response surface methodology (RSM) has been also proposed to optimize the design of high-speed solenoid valve (HSV) and improve its performance. Numerical simulation model of HSV has been developed in Ansoft Maxwell environment and its accuracy has been validated through lab experiments. Effect of change of core structure, coil structure, armature structure, working air gap, and drive current on the electromagnetic force of HSV has been analyzed through simulation model and influence rules of various parameters on the electromagnetic force have been established. The response surface model of the electromagnetic force has been utilized to analyze the interaction effect between major parameters. It has been concluded that six interaction factors including working air gap with armature radius, drive current with armature thickness, coil turns with side pole radius, armature thickness with its radius, armature thickness with side pole radius, and armature radius with side pole radius have significant influence on the electromagnetic force. Optimal match values between coil turns and side pole radius; armature thickness and side pole radius; and armature radius and side pole radius have also been determined. PMID:25243217

Nuclear thermal propulsion engine system design analysis code development

NASA Astrophysics Data System (ADS)

Pelaccio, Dennis G.; Scheil, Christine M.; Petrosky, Lyman J.; Ivanenok, Joseph F.

1992-01-01

A Nuclear Thermal Propulsion (NTP) Engine System Design Analyis Code has recently been developed to characterize key NTP engine system design features. Such a versatile, standalone NTP system performance and engine design code is required to support ongoing and future engine system and vehicle design efforts associated with proposed Space Exploration Initiative (SEI) missions of interest. Key areas of interest in the engine system modeling effort were the reactor, shielding, and inclusion of an engine multi-redundant propellant pump feed system design option. A solid-core nuclear thermal reactor and internal shielding code model was developed to estimate the reactor's thermal-hydraulic and physical parameters based on a prescribed thermal output which was integrated into a state-of-the-art engine system design model. The reactor code module has the capability to model graphite, composite, or carbide fuels. Key output from the model consists of reactor parameters such as thermal power, pressure drop, thermal profile, and heat generation in cooled structures (reflector, shield, and core supports), as well as the engine system parameters such as weight, dimensions, pressures, temperatures, mass flows, and performance. The model's overall analysis methodology and its key assumptions and capabilities are summarized in this paper.

Multiple regimes of robust patterns between network structure and biodiversity

NASA Astrophysics Data System (ADS)

Jover, Luis F.; Flores, Cesar O.; Cortez, Michael H.; Weitz, Joshua S.

2015-12-01

Ecological networks such as plant-pollinator and host-parasite networks have structured interactions that define who interacts with whom. The structure of interactions also shapes ecological and evolutionary dynamics. Yet, there is significant ongoing debate as to whether certain structures, e.g., nestedness, contribute positively, negatively or not at all to biodiversity. We contend that examining variation in life history traits is key to disentangling the potential relationship between network structure and biodiversity. Here, we do so by analyzing a dynamic model of virus-bacteria interactions across a spectrum of network structures. Consistent with prior studies, we find plausible parameter domains exhibiting strong, positive relationships between nestedness and biodiversity. Yet, the same model can exhibit negative relationships between nestedness and biodiversity when examined in a distinct, plausible region of parameter space. We discuss steps towards identifying when network structure could, on its own, drive the resilience, sustainability, and even conservation of ecological communities.

Multiple regimes of robust patterns between network structure and biodiversity

PubMed Central

Jover, Luis F.; Flores, Cesar O.; Cortez, Michael H.; Weitz, Joshua S.

2015-01-01

Ecological networks such as plant-pollinator and host-parasite networks have structured interactions that define who interacts with whom. The structure of interactions also shapes ecological and evolutionary dynamics. Yet, there is significant ongoing debate as to whether certain structures, e.g., nestedness, contribute positively, negatively or not at all to biodiversity. We contend that examining variation in life history traits is key to disentangling the potential relationship between network structure and biodiversity. Here, we do so by analyzing a dynamic model of virus-bacteria interactions across a spectrum of network structures. Consistent with prior studies, we find plausible parameter domains exhibiting strong, positive relationships between nestedness and biodiversity. Yet, the same model can exhibit negative relationships between nestedness and biodiversity when examined in a distinct, plausible region of parameter space. We discuss steps towards identifying when network structure could, on its own, drive the resilience, sustainability, and even conservation of ecological communities. PMID:26632996

Development of a smart timber bridge - a five-year plan

Treesearch

Brent M. Phares; Terry J. Wipf; Ursula Deza; James P. Wacker

2011-01-01

This paper outlines a 5-year research plan for the development of a structural health monitoring system for timber bridges. A series of studies identify and evaluate various sensing technologies for measurement of structural adequacy and/or deterioration parameters. The overall goal is to develop a turn-key system to analyze, monitor, and report on the performance and...

Unifying mechanical and thermodynamic descriptions across the thioredoxin protein family.

PubMed

Mottonen, James M; Xu, Minli; Jacobs, Donald J; Livesay, Dennis R

2009-05-15

We compare various predicted mechanical and thermodynamic properties of nine oxidized thioredoxins (TRX) using a Distance Constraint Model (DCM). The DCM is based on a nonadditive free energy decomposition scheme, where entropic contributions are determined from rigidity and flexibility of structure based on distance constraints. We perform averages over an ensemble of constraint topologies to calculate several thermodynamic and mechanical response functions that together yield quantitative stability/flexibility relationships (QSFR). Applied to the TRX protein family, QSFR metrics display a rich variety of similarities and differences. In particular, backbone flexibility is well conserved across the family, whereas cooperativity correlation describing mechanical and thermodynamic couplings between the residue pairs exhibit distinctive features that readily standout. The diversity in predicted QSFR metrics that describe cooperativity correlation between pairs of residues is largely explained by a global flexibility order parameter describing the amount of intrinsic flexibility within the protein. A free energy landscape is calculated as a function of the flexibility order parameter, and key values are determined where the native-state, transition-state, and unfolded-state are located. Another key value identifies a mechanical transition where the global nature of the protein changes from flexible to rigid. The key values of the flexibility order parameter help characterize how mechanical and thermodynamic response is linked. Variation in QSFR metrics and key characteristics of global flexibility are related to the native state X-ray crystal structure primarily through the hydrogen bond network. Furthermore, comparison of three TRX redox pairs reveals differences in thermodynamic response (i.e., relative melting point) and mechanical properties (i.e., backbone flexibility and cooperativity correlation) that are consistent with experimental data on thermal stabilities and NMR dynamical profiles. The results taken together demonstrate that small-scale structural variations are amplified into discernible global differences by propagating mechanical couplings through the H-bond network.

Voids and the Cosmic Web: cosmic depression & spatial complexity

NASA Astrophysics Data System (ADS)

van de Weygaert, Rien

2016-10-01

Voids form a prominent aspect of the Megaparsec distribution of galaxies and matter. Not only do theyrepresent a key constituent of the Cosmic Web, they also are one of the cleanest probesand measures of global cosmological parameters. The shape and evolution of voids are highly sensitive tothe nature of dark energy, while their substructure and galaxy population provides a direct key to thenature of dark matter. Also, the pristine environment of void interiors is an important testing groundfor our understanding of environmental influences on galaxy formation and evolution. In this paper, we reviewthe key aspects of the structure and dynamics ofvoids, with a particular focus on the hierarchical evolution of the void population. We demonstratehow the rich structural pattern of the Cosmic Web is related to the complex evolution and buildupof voids.

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

Xu, Hongyi; Li, Yang; Zeng, Danielle

Process integration and optimization is the key enabler of the Integrated Computational Materials Engineering (ICME) of carbon fiber composites. In this paper, automated workflows are developed for two types of composites: Sheet Molding Compounds (SMC) short fiber composites, and multi-layer unidirectional (UD) composites. For SMC, the proposed workflow integrates material processing simulation, microstructure representation volume element (RVE) models, material property prediction and structure preformation simulation to enable multiscale, multidisciplinary analysis and design. Processing parameters, microstructure parameters and vehicle subframe geometry parameters are defined as the design variables; the stiffness and weight of the structure are defined as the responses. Formore » multi-layer UD structure, this work focuses on the discussion of different design representation methods and their impacts on the optimization performance. Challenges in ICME process integration and optimization are also summarized and highlighted. Two case studies are conducted to demonstrate the integrated process and its application in optimization.« less

Combined control-structure optimization

NASA Technical Reports Server (NTRS)

Salama, M.; Milman, M.; Bruno, R.; Scheid, R.; Gibson, S.

1989-01-01

An approach for combined control-structure optimization keyed to enhancing early design trade-offs is outlined and illustrated by numerical examples. The approach employs a homotopic strategy and appears to be effective for generating families of designs that can be used in these early trade studies. Analytical results were obtained for classes of structure/control objectives with linear quadratic Gaussian (LQG) and linear quadratic regulator (LQR) costs. For these, researchers demonstrated that global optima can be computed for small values of the homotopy parameter. Conditions for local optima along the homotopy path were also given. Details of two numerical examples employing the LQR control cost were given showing variations of the optimal design variables along the homotopy path. The results of the second example suggest that introducing a second homotopy parameter relating the two parts of the control index in the LQG/LQR formulation might serve to enlarge the family of Pareto optima, but its effect on modifying the optimal structural shapes may be analogous to the original parameter lambda.

Anomalous anisotropic compression behavior of superconducting CrAs under high pressure

PubMed Central

Yu, Zhenhai; Wu, Wei; Hu, Qingyang; Zhao, Jinggeng; Li, Chunyu; Yang, Ke; Cheng, Jinguang; Luo, Jianlin; Wang, Lin; Mao, Ho-kwang

2015-01-01

CrAs was observed to possess the bulk superconductivity under high-pressure conditions. To understand the superconducting mechanism and explore the correlation between the structure and superconductivity, the high-pressure structural evolution of CrAs was investigated using the angle-dispersive X-ray diffraction (XRD) method. The structure of CrAs remains stable up to 1.8 GPa, whereas the lattice parameters exhibit anomalous compression behaviors. With increasing pressure, the lattice parameters a and c both demonstrate a nonmonotonic change, and the lattice parameter b undergoes a rapid contraction at ∼0.18−0.35 GPa, which suggests that a pressure-induced isostructural phase transition occurs in CrAs. Above the phase transition pressure, the axial compressibilities of CrAs present remarkable anisotropy. A schematic band model was used to address the anomalous compression behavior of CrAs. The present results shed light on the structural and related electronic responses to high pressure, which play a key role toward understanding the superconductivity of CrAs. PMID:26627230

Topological Structures in Multiferroics - Domain Walls, Skyrmions and Vortices

DOE PAGES

Seidel, Jan; Vasudevan, Rama K.; Valanoor, Nagarajan

2015-12-15

Topological structures in multiferroic materials have recently received considerable attention because of their potential use as nanoscale functional elements. Their reduced size in conjunction with exotic arrangement of the ferroic order parameter and potential order parameter coupling allows for emergent and unexplored phenomena in condensed matter and functional materials systems. This will lead to exciting new fundamental discoveries as well as application concepts that exploit their response to external stimuli such as mechanical strain, electric and magnetic fields. In this review we capture the current development of this rapidly moving field with specific emphasis on key achievements that have castmore » light on how such topological structures in multiferroic materials systems can be exploited for use in complex oxide nanoelectronics and spintronics.« less

Financial gains and risks in pay-for-performance bonus algorithms.

PubMed

Cromwell, Jerry; Drozd, Edward M; Smith, Kevin; Trisolini, Michael

2007-01-01

Considerable attention has been given to evidence-based process indicators associated with quality of care, while much less attention has been given to the structure and key parameters of the various pay-for-performance (P4P) bonus and penalty arrangements using such measures. In this article we develop a general model of quality payment arrangements and discuss the advantages and disadvantages of the key parameters. We then conduct simulation analyses of four general P4P payment algorithms by varying seven parameters, including indicator weights, indicator intercorrelation, degree of uncertainty regarding intervention effectiveness, and initial baseline rates. Bonuses averaged over several indicators appear insensitive to weighting, correlation, and the number of indicators. The bonuses are sensitive to disease manager perceptions of intervention effectiveness, facing challenging targets, and the use of actual-to-target quality levels versus rates of improvement over baseline.

Optical Double Image Hiding in the Fractional Hartley Transform Using Structured Phase Filter and Arnold Transform

NASA Astrophysics Data System (ADS)

Yadav, Poonam Lata; Singh, Hukum

2018-06-01

To maintain the security of the image encryption and to protect the image from intruders, a new asymmetric cryptosystem based on fractional Hartley Transform (FrHT) and the Arnold transform (AT) is proposed. AT is a method of image cropping and edging in which pixels of the image are reorganized. In this cryptosystem we have used AT so as to extent the information content of the two original images onto the encrypted images so as to increase the safety of the encoded images. We have even used Structured Phase Mask (SPM) and Hybrid Mask (HM) as the encryption keys. The original image is first multiplied with the SPM and HM and then transformed with direct and inverse fractional Hartley transform so as to obtain the encrypted image. The fractional orders of the FrHT and the parameters of the AT correspond to the keys of encryption and decryption methods. If both the keys are correctly used only then the original image would be retrieved. Recommended method helps in strengthening the safety of DRPE by growing the key space and the number of parameters and the method is robust against various attacks. By using MATLAB 8.3.0.52 (R2014a) we calculate the strength of the recommended cryptosystem. A set of simulated results shows the power of the proposed asymmetric cryptosystem.

Improved guidance for users of the 1993 AASHTO flexible pavement design procedures : LTPP TechBrief

DOT National Transportation Integrated Search

1997-08-01

A key design challenge faced by engineers using the 1993 AASHTO Guide for Design of Pavement Structures (AASHTO Guide) is the determination of appropriate design parameters for the subgrade and pavement materials. The Long-Term Pavement Performance (...

A Probabilistic Approach to Model Update

NASA Technical Reports Server (NTRS)

Horta, Lucas G.; Reaves, Mercedes C.; Voracek, David F.

2001-01-01

Finite element models are often developed for load validation, structural certification, response predictions, and to study alternate design concepts. In rare occasions, models developed with a nominal set of parameters agree with experimental data without the need to update parameter values. Today, model updating is generally heuristic and often performed by a skilled analyst with in-depth understanding of the model assumptions. Parameter uncertainties play a key role in understanding the model update problem and therefore probabilistic analysis tools, developed for reliability and risk analysis, may be used to incorporate uncertainty in the analysis. In this work, probability analysis (PA) tools are used to aid the parameter update task using experimental data and some basic knowledge of potential error sources. Discussed here is the first application of PA tools to update parameters of a finite element model for a composite wing structure. Static deflection data at six locations are used to update five parameters. It is shown that while prediction of individual response values may not be matched identically, the system response is significantly improved with moderate changes in parameter values.

Enhanced absorption of graphene strips with a multilayer subwavelength grating structure

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

Hu, Jin-Hua; Huang, Yong-Qing, E-mail: yqhuang@bupt.edu.cn; Duan, Xiao-Feng

2014-12-01

The optical absorption of graphene strips covered on a multilayer subwavelength grating (MSG) surface is theoretically investigated. The absorption of graphene strips with MSG is enhanced in the wavelength range of 1500 nm to 1600 nm by critical coupling, which is associated with the combined effects of a guided resonance of MSG and its photonic band gap effect. The critical coupling of the graphene strips can be controlled by adjusting the incident angle without changing the structural parameters of MSG. The absorption of graphene strips can also be tuned by varying key parameters, such as grating period, strip width, and incident angle.

Post-cracking characteristics of high performance fiber reinforced cementitious composites

NASA Astrophysics Data System (ADS)

Suwannakarn, Supat W.

The application of high performance fiber reinforced cement composites (HPFRCC) in structural systems depends primarily on the material's tensile response, which is a direct function of fiber and matrix characteristics, the bond between them, and the fiber content or volume fraction. The objective of this dissertation is to evaluate and model the post-cracking behavior of HPFRCC. In particular, it focused on the influential parameters controlling tensile behavior and the variability associated with them. The key parameters considered include: the stress and strain at first cracking, the stress and strain at maximum post-cracking, the shape of the stress-strain or stress-elongation response, the multiple cracking process, the shape of the resistance curve after crack localization, the energy associated with the multiple cracking process, and the stress versus crack opening response of a single crack. Both steel fibers and polymeric fibers, perceived to have the greatest potential for current commercial applications, are considered. The main variables covered include fiber type (Torex, Hooked, PVA, and Spectra) and fiber volume fraction (ranging from 0.75% to 2.0%). An extensive experimental program is carried out using direct tensile tests and stress-versus crack opening displacement tests on notched tensile prisms. The key experimental results were analysed and modeled using simple prediction equations which, combined with a composite mechanics approach, allowed for predicting schematic simplified stress-strain and stress-displacement response curves for use in structural modeling. The experimental data show that specimens reinforced with Torex fibers performs best, follows by Hooked and Spectra fibers, then PVA fibers. Significant variability in key parameters was observed througout suggesting that variability must be studied further. The new information obtained can be used as input for material models for finite element analysis and can provide greater confidence in using the HPFRC composites in structural applications. It also provides a good foundation to integrate these composites in conventional structural analysis and design.

Earthquake ground motion: Chapter 3

USGS Publications Warehouse

Luco, Nicolas; Kircher, Charles A.; Crouse, C. B.; Charney, Finley; Haselton, Curt B.; Baker, Jack W.; Zimmerman, Reid; Hooper, John D.; McVitty, William; Taylor, Andy

2016-01-01

Most of the effort in seismic design of buildings and other structures is focused on structural design. This chapter addresses another key aspect of the design process—characterization of earthquake ground motion into parameters for use in design. Section 3.1 describes the basis of the earthquake ground motion maps in the Provisions and in ASCE 7 (the Standard). Section 3.2 has examples for the determination of ground motion parameters and spectra for use in design. Section 3.3 describes site-specific ground motion requirements and provides example site-specific design and MCER response spectra and example values of site-specific ground motion parameters. Section 3.4 discusses and provides an example for the selection and scaling of ground motion records for use in various types of response history analysis permitted in the Standard.

Using Chemical Structure Information to Predict In Vitro Pharmacokinetic Parameters (SOT)

EPA Science Inventory

Toxicokinetic data are key for relating exposure and internal dose when building in vitro-based risk assessment models. However, conducting in vivo toxicokinetic studies has time and cost limitations, and in vitro toxicokinetic data is available only for a limited set of chemical...

Body weight of hypersonic aircraft, part 1

NASA Technical Reports Server (NTRS)

Ardema, Mark D.

1988-01-01

The load bearing body weight of wing-body and all-body hypersonic aircraft is estimated for a wide variety of structural materials and geometries. Variations of weight with key design and configuration parameters are presented and discussed. Both hot and cool structure approaches are considered in isotropic, organic composite, and metal matrix composite materials; structural shells are sandwich or skin-stringer. Conformal and pillow-tank designs are investigated for the all-body shape. The results identify the most promising hypersonic aircraft body structure design approaches and their weight trends. Geometric definition of vehicle shapes and structural analysis methods are presented in appendices.

Systems Analysis of the Hydrogen Transition with HyTrans

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

Leiby, Paul Newsome; Greene, David L; Bowman, David Charles

2007-01-01

The U.S. Federal government is carefully considering the merits and long-term prospects of hydrogen-fueled vehicles. NAS (1) has called for the careful application of systems analysis tools to structure the complex assessment required. Others, raising cautionary notes, question whether a consistent and plausible transition to hydrogen light-duty vehicles can identified (2) and whether that transition would, on balance, be environmentally preferred. Modeling the market transition to hydrogen-powered vehicles is an inherently complex process, encompassing hydrogen production, delivery and retailing, vehicle manufacturing, and vehicle choice and use. We describe the integration of key technological and market factors in a dynamic transitionmore » model, HyTrans. The usefulness of HyTrans and its predictions depends on three key factors: (1) the validity of the economic theories that underpin the model, (2) the authenticity with which the key processes are represented, and (3) the accuracy of specific parameter values used in the process representations. This paper summarizes the theoretical basis of HyTrans, and highlights the implications of key parameter specifications with sensitivity analysis.« less

[Review of wireless energy transmission system for total artificial heart].

PubMed

Zhang, Chi; Yang, Ming

2009-11-01

This paper sums up the fundamental structure of wireless energy transmission system for total artificial heart, and compares the key parameters and performance of some representative systems. After that, it is discussed that the future development trend of wireless energy transmission system for total artificial heart.

Assumptions to the Annual Energy Outlook

EIA Publications

2017-01-01

This report presents the major assumptions of the National Energy Modeling System (NEMS) used to generate the projections in the Annual Energy Outlook, including general features of the model structure, assumptions concerning energy markets, and the key input data and parameters that are the most significant in formulating the model results.

Ranges of applicability for the continuum beam model in the mechanics of carbon nanotubes and nanorods

NASA Technical Reports Server (NTRS)

Harik, V. M.

2001-01-01

Limitations in the validity of the continuum beam model for carbon nanotubes (NTs) and nanorods are examined. Applicability of all assumptions used in the model is restricted by the two criteria for geometric parameters that characterize the structure of NTs. The key non-dimensional parameters that control the NT buckling behavior are derived via dimensional analysis of the nanomechanical problem. A mechanical law of geometric similitude for NT buckling is extended from continuum mechanics for different molecular structures. A model applicability map, where two classes of beam-like NTs are identified, is constructed for distinct ranges of non-dimensional parameters. Expressions for the critical buckling loads and strains are tailored for two classes of NTs and compared with the data provided by the molecular dynamics simulations. copyright 2001 Elsevier Science Ltd. All rights reserved.

High speed inscription of uniform, large-area laser-induced periodic surface structures in Cr films using a high repetition rate fs laser.

PubMed

Ruiz de la Cruz, A; Lahoz, R; Siegel, J; de la Fuente, G F; Solis, J

2014-04-15

We report on the fabrication of laser-induced periodic surface structures in Cr films upon high repetition rate fs laser irradiation (up to 1 MHz, 500 fs, 1030 nm), employing beam scanning. Highly regular large-area (9  cm2) gratings with a relative diffraction efficiency of 42% can be produced within less than 6 min. The ripple period at moderate and high fluences is 0.9 μm, with a small period of 0.5 μm appearing at lower energies. The role of the irradiation parameters on the characteristics of the laser-induced periodic surface structures (LIPSS) is studied and discussed in the frame of the models presently used. We have identified the polarization vector orientation with respect to the scan direction as a key parameter for the fabrication of high-quality, large-area LIPSS, which, for perpendicular orientation, allows the coherent extension of the sub-wavelength structure over macroscopic distances. The processing strategy is robust in terms of broad parameter windows and applicable to other materials featuring LIPSS.

Process Integration and Optimization of ICME Carbon Fiber Composites for Vehicle Lightweighting: A Preliminary Development

DOE PAGES

Xu, Hongyi; Li, Yang; Zeng, Danielle

2017-01-02

Process integration and optimization is the key enabler of the Integrated Computational Materials Engineering (ICME) of carbon fiber composites. In this paper, automated workflows are developed for two types of composites: Sheet Molding Compounds (SMC) short fiber composites, and multi-layer unidirectional (UD) composites. For SMC, the proposed workflow integrates material processing simulation, microstructure representation volume element (RVE) models, material property prediction and structure preformation simulation to enable multiscale, multidisciplinary analysis and design. Processing parameters, microstructure parameters and vehicle subframe geometry parameters are defined as the design variables; the stiffness and weight of the structure are defined as the responses. Formore » multi-layer UD structure, this work focuses on the discussion of different design representation methods and their impacts on the optimization performance. Challenges in ICME process integration and optimization are also summarized and highlighted. Two case studies are conducted to demonstrate the integrated process and its application in optimization.« less

On-rate based optimization of structure-kinetic relationship--surfing the kinetic map.

PubMed

Schoop, Andreas; Dey, Fabian

2015-10-01

In the lead discovery process residence time has become an important parameter for the identification and characterization of the most efficacious compounds in vivo. To enable the success of compound optimization by medicinal chemistry toward a desired residence time the understanding of structure-kinetic relationship (SKR) is essential. This article reviews various approaches to monitor SKR and suggests using the on-rate as the key monitoring parameter. The literature is reviewed and examples of compound series with low variability as well as with significant changes in on-rates are highlighted. Furthermore, findings of kinetic on-rate changes are presented and potential underlying rationales are discussed. Copyright © 2015 Elsevier Ltd. All rights reserved.

Emergency medical services key performance measurement in Asian cities.

PubMed

Rahman, Nik Hisamuddin; Tanaka, Hideharu; Shin, Sang Do; Ng, Yih Yng; Piyasuwankul, Thammapad; Lin, Chih-Hao; Ong, Marcus Eng Hock

2015-01-01

One of the key principles in the recommended standards is that emergency medical service (EMS) providers should continuously monitor the quality and safety of their services. This requires service providers to implement performance monitoring using appropriate and relevant measures including key performance indicators. In Asia, EMS systems are at different developmental phases and maturity. This will create difficultly in benchmarking or assessing the quality of EMS performance across the region. An attempt was made to compare the EMS performance index based on the structure, process, and outcome analysis. The data was collected from the Pan-Asian Resuscitation Outcome Study (PAROS) data among few Asian cities, namely, Tokyo, Osaka, Singapore, Bangkok, Kuala Lumpur, Taipei, and Seoul. The parameters of inclusions were broadly divided into structure, process, and outcome measurements. The data was collected by the site investigators from each city and keyed into the electronic web-based data form which is secured strictly by username and passwords. Generally, there seems to be a more uniformity for EMS performance parameters among the more developed EMS systems. The major problem with the EMS agencies in the cities of developing countries like Bangkok and Kuala Lumpur is inadequate or unavailable data pertaining to EMS performance. There is non-uniformity in the EMS performance measurement across the Asian cities. This creates difficulty for EMS performance index comparison and benchmarking. Hopefully, in the future, collaborative efforts such as the PAROS networking group will further enhance the standardization in EMS performance reporting across the region.

Improving substructure identification accuracy of shear structures using virtual control system

NASA Astrophysics Data System (ADS)

Zhang, Dongyu; Yang, Yang; Wang, Tingqiang; Li, Hui

2018-02-01

Substructure identification is a powerful tool to identify the parameters of a complex structure. Previously, the authors developed an inductive substructure identification method for shear structures. The identification error analysis showed that the identification accuracy of this method is significantly influenced by the magnitudes of two key structural responses near a certain frequency; if these responses are unfavorable, the method cannot provide accurate estimation results. In this paper, a novel method is proposed to improve the substructure identification accuracy by introducing a virtual control system (VCS) into the structure. A virtual control system is a self-balanced system, which consists of some control devices and a set of self-balanced forces. The self-balanced forces counterbalance the forces that the control devices apply on the structure. The control devices are combined with the structure to form a controlled structure used to replace the original structure in the substructure identification; and the self-balance forces are treated as known external excitations to the controlled structure. By optimally tuning the VCS’s parameters, the dynamic characteristics of the controlled structure can be changed such that the original structural responses become more favorable for the substructure identification and, thus, the identification accuracy is improved. A numerical example of 6-story shear structure is utilized to verify the effectiveness of the VCS based controlled substructure identification method. Finally, shake table tests are conducted on a 3-story structural model to verify the efficacy of the VCS to enhance the identification accuracy of the structural parameters.

Local overfishing may be avoided by examining parameters of a spatio-temporal model

PubMed Central

Shackell, Nancy; Mills Flemming, Joanna

2017-01-01

Spatial erosion of stock structure through local overfishing can lead to stock collapse because fish often prefer certain locations, and fisheries tend to focus on those locations. Fishery managers are challenged to maintain the integrity of the entire stock and require scientific approaches that provide them with sound advice. Here we propose a Bayesian hierarchical spatio-temporal modelling framework for fish abundance data to estimate key parameters that define spatial stock structure: persistence (similarity of spatial structure over time), connectivity (coherence of temporal pattern over space), and spatial variance (variation across the seascape). The consideration of these spatial parameters in the stock assessment process can help identify the erosion of structure and assist in preventing local overfishing. We use Atlantic cod (Gadus morhua) in eastern Canada as a case study an examine the behaviour of these parameters from the height of the fishery through its collapse. We identify clear signals in parameter behaviour under circumstances of destructive stock erosion as well as for recovery of spatial structure even when combined with a non-recovery in abundance. Further, our model reveals the spatial pattern of areas of high and low density persists over the 41 years of available data and identifies the remnant patches. Models of this sort are crucial to recovery plans if we are to identify and protect remaining sources of recolonization for Atlantic cod. Our method is immediately applicable to other exploited species. PMID:28886179

Local overfishing may be avoided by examining parameters of a spatio-temporal model.

PubMed

Carson, Stuart; Shackell, Nancy; Mills Flemming, Joanna

2017-01-01

Spatial erosion of stock structure through local overfishing can lead to stock collapse because fish often prefer certain locations, and fisheries tend to focus on those locations. Fishery managers are challenged to maintain the integrity of the entire stock and require scientific approaches that provide them with sound advice. Here we propose a Bayesian hierarchical spatio-temporal modelling framework for fish abundance data to estimate key parameters that define spatial stock structure: persistence (similarity of spatial structure over time), connectivity (coherence of temporal pattern over space), and spatial variance (variation across the seascape). The consideration of these spatial parameters in the stock assessment process can help identify the erosion of structure and assist in preventing local overfishing. We use Atlantic cod (Gadus morhua) in eastern Canada as a case study an examine the behaviour of these parameters from the height of the fishery through its collapse. We identify clear signals in parameter behaviour under circumstances of destructive stock erosion as well as for recovery of spatial structure even when combined with a non-recovery in abundance. Further, our model reveals the spatial pattern of areas of high and low density persists over the 41 years of available data and identifies the remnant patches. Models of this sort are crucial to recovery plans if we are to identify and protect remaining sources of recolonization for Atlantic cod. Our method is immediately applicable to other exploited species.

Investigation of the Surface Stress in SiC and Diamond Nanocrystals by In-situ High Pressure Powder Diffraction Technique

NASA Technical Reports Server (NTRS)

Palosz, B.; Stelmakh, S.; Grzanka, E.; Gierlotka, S.; Zhao, Y.; Palosz, W.

2003-01-01

The real atomic structure of nanocrystals determines key properties of the materials. For such materials the serious experimental problem lies in obtaining sufficiently accurate measurements of the structural parameters of the crystals, since very small crystals constitute rather a two-phase than a uniform crystallographic phase system. As a result, elastic properties of nanograins may be expected to reflect a dual nature of their structure, with a corresponding set of different elastic property parameters. We studied those properties by in-situ high-pressure powder diffraction technique. For nanocrystalline, even one-phase materials such measurements are particularly difficult to make since determination of the lattice parameters of very small crystals presents a challenge due to inherent limitations of standard elaboration of powder diffractograms. In this investigation we used our methodology of the structural analysis, the 'apparent lattice parameter' (alp) concept. The methodology allowed us to avoid the traps (if applied to nanocrystals) of standard powder diffraction evaluation techniques. The experiments were performed for nanocrystalline Sic and GaN powders using synchrotron sources. We applied both hydrostatic and isostatic pressures in the range of up to 40 GPa. Elastic properties of the samples were examined based on the measurements of a change of the lattice parameters with pressure. The results show a dual nature of the mechanical properties (compressibilities) of the materials, indicating a complex, core-shell structure of the grains.

Uncertainty analysis of scintillometers methods in measuring sensible heat fluxes of forest ecosystem

NASA Astrophysics Data System (ADS)

Zheng, N.

2017-12-01

Sensible heat flux (H) is one of the driving factors of surface turbulent motion and energy exchange. Therefore, it is particularly important to measure sensible heat flux accurately at the regional scale. However, due to the heterogeneity of the underlying surface, hydrothermal regime, and different weather conditions, it is difficult to estimate the represented flux at the kilometer scale. The scintillometer have been developed into an effective and universal equipment for deriving heat flux at the regional-scale which based on the turbulence effect of light in the atmosphere since the 1980s. The parameter directly obtained by the scintillometer is the structure parameter of the refractive index of air based on the changes of light intensity fluctuation. Combine with parameters such as temperature structure parameter, zero-plane displacement, surface roughness, wind velocity, air temperature and the other meteorological data heat fluxes can be derived. These additional parameters increase the uncertainties of flux because the difference between the actual feature of turbulent motion and the applicable conditions of turbulence theory. Most previous studies often focused on the constant flux layers that are above the rough sub-layers and homogeneous flat surfaces underlying surfaces with suitable weather conditions. Therefore, the criteria and modified forms of key parameters are invariable. In this study, we conduct investment over the hilly area of northern China with different plants, such as cork oak, cedar-black and locust. On the basis of key research on the threshold and modified forms of saturation with different turbulence intensity, modified forms of Bowen ratio with different drying-and-wetting conditions, universal function for the temperature structure parameter under different atmospheric stability, the dominant sources of uncertainty will be determined. The above study is significant to reveal influence mechanism of uncertainty and explore influence degree of uncertainty with quantitative analysis. The study can provide theoretical basis and technical support for accurately measuring sensible heat fluxes of forest ecosystem with scintillometer method, and can also provide work foundation for further study on role of forest ecosystem in energy balance and climate change.

A semi-supervised learning approach for RNA secondary structure prediction.

PubMed

Yonemoto, Haruka; Asai, Kiyoshi; Hamada, Michiaki

2015-08-01

RNA secondary structure prediction is a key technology in RNA bioinformatics. Most algorithms for RNA secondary structure prediction use probabilistic models, in which the model parameters are trained with reliable RNA secondary structures. Because of the difficulty of determining RNA secondary structures by experimental procedures, such as NMR or X-ray crystal structural analyses, there are still many RNA sequences that could be useful for training whose secondary structures have not been experimentally determined. In this paper, we introduce a novel semi-supervised learning approach for training parameters in a probabilistic model of RNA secondary structures in which we employ not only RNA sequences with annotated secondary structures but also ones with unknown secondary structures. Our model is based on a hybrid of generative (stochastic context-free grammars) and discriminative models (conditional random fields) that has been successfully applied to natural language processing. Computational experiments indicate that the accuracy of secondary structure prediction is improved by incorporating RNA sequences with unknown secondary structures into training. To our knowledge, this is the first study of a semi-supervised learning approach for RNA secondary structure prediction. This technique will be useful when the number of reliable structures is limited. Copyright © 2015 Elsevier Ltd. All rights reserved.

Is structural stigma's effect on the mortality of sexual minorities robust? A failure to replicate the results of a published study.

PubMed

Regnerus, Mark

2017-09-01

The study of stigma's influence on health has surged in recent years. Hatzenbuehler et al.'s (2014) study of structural stigma's effect on mortality revealed an average of 12 years' shorter life expectancy for sexual minorities who resided in communities thought to exhibit high levels of anti-gay prejudice, using data from the 1988-2002 administrations of the US General Social Survey linked to mortality outcome data in the 2008 National Death Index. In the original study, the key predictor variable (structural stigma) led to results suggesting the profound negative influence of structural stigma on the mortality of sexual minorities. Attempts to replicate the study, in order to explore alternative hypotheses, repeatedly failed to generate the original study's key finding on structural stigma. Efforts to discern the source of the disparity in results revealed complications in the multiple imputation process for missing values of the components of structural stigma. This prompted efforts at replication using 10 different imputation approaches. Efforts to replicate Hatzenbuehler et al.'s (2014) key finding on structural stigma's notable influence on the premature mortality of sexual minorities, including a more refined imputation strategy than described in the original study, failed. No data imputation approach yielded parameters that supported the original study's conclusions. Alternative hypotheses, which originally motivated the present study, revealed little new information. Ten different approaches to multiple imputation of missing data yielded none in which the effect of structural stigma on the mortality of sexual minorities was statistically significant. Minimally, the original study's structural stigma variable (and hence its key result) is so sensitive to subjective measurement decisions as to be rendered unreliable. Copyright © 2016 The Author. Published by Elsevier Ltd.. All rights reserved.

Design considerations of high-performance InGaAs/InP single-photon avalanche diodes for quantum key distribution.

PubMed

Ma, Jian; Bai, Bing; Wang, Liu-Jun; Tong, Cun-Zhu; Jin, Ge; Zhang, Jun; Pan, Jian-Wei

2016-09-20

InGaAs/InP single-photon avalanche diodes (SPADs) are widely used in practical applications requiring near-infrared photon counting such as quantum key distribution (QKD). Photon detection efficiency and dark count rate are the intrinsic parameters of InGaAs/InP SPADs, due to the fact that their performances cannot be improved using different quenching electronics given the same operation conditions. After modeling these parameters and developing a simulation platform for InGaAs/InP SPADs, we investigate the semiconductor structure design and optimization. The parameters of photon detection efficiency and dark count rate highly depend on the variables of absorption layer thickness, multiplication layer thickness, excess bias voltage, and temperature. By evaluating the decoy-state QKD performance, the variables for SPAD design and operation can be globally optimized. Such optimization from the perspective of specific applications can provide an effective approach to design high-performance InGaAs/InP SPADs.

A modal parameter extraction procedure applicable to linear time-invariant dynamic systems

NASA Technical Reports Server (NTRS)

Kurdila, A. J.; Craig, R. R., Jr.

1985-01-01

Modal analysis has emerged as a valuable tool in many phases of the engineering design process. Complex vibration and acoustic problems in new designs can often be remedied through use of the method. Moreover, the technique has been used to enhance the conceptual understanding of structures by serving to verify analytical models. A new modal parameter estimation procedure is presented. The technique is applicable to linear, time-invariant systems and accommodates multiple input excitations. In order to provide a background for the derivation of the method, some modal parameter extraction procedures currently in use are described. Key features implemented in the new technique are elaborated upon.

Parameter Estimation for Viscoplastic Material Modeling

NASA Technical Reports Server (NTRS)

Saleeb, Atef F.; Gendy, Atef S.; Wilt, Thomas E.

1997-01-01

A key ingredient in the design of engineering components and structures under general thermomechanical loading is the use of mathematical constitutive models (e.g. in finite element analysis) capable of accurate representation of short and long term stress/deformation responses. In addition to the ever-increasing complexity of recent viscoplastic models of this type, they often also require a large number of material constants to describe a host of (anticipated) physical phenomena and complicated deformation mechanisms. In turn, the experimental characterization of these material parameters constitutes the major factor in the successful and effective utilization of any given constitutive model; i.e., the problem of constitutive parameter estimation from experimental measurements.

Computer-aided study of key factors determining high mechanical properties of nanostructured surface layers in metal-ceramic composites

NASA Astrophysics Data System (ADS)

Konovalenko, Igor S.; Shilko, Evgeny V.; Ovcharenko, Vladimir E.; Psakhie, Sergey G.

2017-12-01

The paper presents the movable cellular automaton method. It is based on numerical models of surface layers of the metal-ceramic composite NiCr-TiC modified under electron beam irradiation in inert gas plasmas. The models take into account different geometric, concentration and mechanical parameters of ceramic and metallic components. The authors study the contributions of key structural factors in mechanical properties of surface layers and determine the ranges of their variations by providing the optimum balance of strength, strain hardening and fracture toughness.

Electronic structure of layered ferroelectric high-k titanate Pr2Ti2O7

NASA Astrophysics Data System (ADS)

Atuchin, V. V.; Gavrilova, T. A.; Grivel, J.-C.; Kesler, V. G.; Troitskaia, I. B.

2012-11-01

The spectroscopic parameters and electronic structure of binary titanate Pr2Ti2O7 have been studied by IR-, Raman and X-ray photoelectron spectroscopy (XPS) for the powder sample prepared by solid state synthesis. The spectral features of valence band and all constituent element core levels have been considered. The Auger parameters of titanium and oxygen in Pr2Ti2O7 have been determined as αTi=872.8 and αO=1042.3 eV. Variations of cation-anion bond ionicity have been discussed using binding energy differences ΔTi=(BE O 1s-BE Ti 2p3/2)=71.6 eV and ΔPr=BE(Pr 3d5/2)-BE(O 1s)=403.8 eV as key parameters in comparison with those of other titanium- and praseodymium-bearing oxides.

Robust Level Coincidences in the Subband Structure of Quasi 2D Systems

NASA Astrophysics Data System (ADS)

Winkler, R.; Wang, L. Y.; Lin, Y. H.; Chu, C. S.

2011-03-01

Recently, level crossings in the energy bands of crystals have been identified as a key signature for topological phase transitions. In general, three independent parameters must be tuned appropriately to bring two quantum levels into degeneracy. Using realistic models we show that for Bloch electrons in a crystal the parameter space controlling the occurrence of level coincidences has a much richer structure than anticipated previously. In particular, we identify cases where level coincidences depend on only two independent parameters thus making the level coincidences robust, i.e., they cannot be removed by a small perturbation of the Hamiltonian compatible with the crystal symmetry. We consider HgTe/CdTe quantum wells as a specific example. (See arXiv:1011.xxxx) Work supported by Taiwan NSC (Contract No. 99-2112-M-009-006) and a MOE-ATU grant. Work at Argonne supported by DOE BES under Contract No. DE-AC02-06CH11357.

Growth parameter dependent structural and optical properties of ZnO nanostructures on Si substrate by a two-zone thermal CVD.

PubMed

Lee, Hee Kwan; Yu, Jae Su

2012-04-01

We investigated the effect of growth parameters on the structural and optical properties of the ZnO nanostructures (NSs) grown on Au-coated Si substrate by a two-zone thermal chemical vapor deposition. The morphologies of ZnO NSs were controlled by various growth parameters, such as growth temperature, O2 flow rate, and working pressure, for different thicknesses of Au layer. The nanorod-like ZnO NSs were formed at 915 degrees C and the growth of two-dimensional structures, i.e., nanosheets, was enhanced with the increase of growth temperature up to 965 degrees C. It was found that the low working pressure contributed to improvement in vertical alignment and uniformity of ZnO NSs. The Zn/O atomic % ratio, which plays a key role in the growth mechanism of ZnO NSs, was changed by the growth parameters. The Zn/O atomic % ratio was increased with increasing the growth temperature, while it was decreased with increasing the working pressure. Under proper O2 flow rate, the ZnO nanorods with good crystallinity were fabricated with a Zn/O atomic % ratio of -0.9. For various growth parameters, the photoluminescence emission was slightly shifted with the ultraviolet emission related to the near band edge transition.

Thermal transport properties of bulk and monolayer MoS2: an ab-initio approach

NASA Astrophysics Data System (ADS)

Bano, Amreen; Khare, Preeti; Gaur, N. K.

2017-05-01

The transport properties of semiconductors are key to the performance of many solid-state devices (transistors, data storage, thermoelectric cooling and power generation devices, etc). In recent years simulation tools based on first-principles calculations have been greatly improved, being able to obtain the fundamental ground-state properties of materials accurately. The quasi harmonic thermal properties of bulk and monolayer of MoS2 has been computed with ab initio periodic simulations based of density functional theory (DFT). The temperature dependence of bulk modulus, specific heat, thermal expansion and gruneisen parameter have been calculated in our work within the temperature range of 0K to 900K with projected augmented wave (PAW) method using generalized gradient approximation (GGA). Our results show that the optimized lattice parameters are in good agreement with the earlier reported works and also for thermoelastic parameter, i.e. isothermal bulk modulus (B) at 0K indicates that monolayer MoS2 (48.5 GPa)is more compressible than the bulk structure (159.23 GPa). The thermal expansion of monolayer structure is slightly less than the bulk. Similarly, other parameters like heat capacity and gruneisen parameter shows different nature which is due to the confinement of 3 dimensional structure to 2 dimension (2D) for improving its transport characteristics.

3-D simulation of nanopore structure for DNA sequencing.

PubMed

Park, Jun-Mo; Pak, Y Eugene; Chun, Honggu; Lee, Jong-Ho

2012-07-01

In this paper, we propose a method for simulating nanopore structure by using conventional 3-D simulation tool to mimic the I-V behavior of the nanopore structure. In the simulation, we use lightly doped silicon for ionic solution where some parameters like electron affinity and dielectric constant are fitted to consider the ionic solution. By using this method, we can simulate the I-V behavior of nanopore structure depending on the location and the size of the sphere shaped silicon oxide which is considered to be an indicator of a DNA base. In addition, we simulate an Ionic Field Effect Transistor (IFET) which has basically the nanopore structure, and show that the simulated curves follow sufficiently the I-V behavior of the measurement data. Therefore, we think it is reasonable to apply parameter modeling mentioned above to simulate nanopore structure. The key idea is to modify electron affinity of silicon which is used to mimic the KCl solution to avoid band bending and depletion inside the nanopore. We could efficiently utilize conventional 3-D simulation tool to simulate the I-V behavior of nanopore structures.

Anisotropy enhanced X-ray scattering from solvated transition metal complexes

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

Biasin, Elisa; van Driel, Tim B.; Levi, Gianluca

Time-resolved X-ray scattering patterns from photoexcited molecules in solution are in many cases anisotropic at the ultrafast time scales accessible at X-ray free-electron lasers (XFELs). This anisotropy arises from the interaction of a linearly polarized UV–Vis pump laser pulse with the sample, which induces anisotropic structural changes that can be captured by femtosecond X-ray pulses. In this work, a method for quantitative analysis of the anisotropic scattering signal arising from an ensemble of molecules is described, and it is demonstrated how its use can enhance the structural sensitivity of the time-resolved X-ray scattering experiment. This method is applied on time-resolvedmore » X-ray scattering patterns measured upon photoexcitation of a solvated di-platinum complex at an XFEL, and the key parameters involved are explored. Here it is shown that a combined analysis of the anisotropic and isotropic difference scattering signals in this experiment allows a more precise determination of the main photoinduced structural change in the solute,i.e.the change in Pt—Pt bond length, and yields more information on the excitation channels than the analysis of the isotropic scattering only. Finally, it is discussed how the anisotropic transient response of the solvent can enable the determination of key experimental parameters such as the instrument response function.« less

Deconstructing three-dimensional (3D) structure of absorptive glass mat (AGM) separator to tailor pore dimensions and amplify electrolyte uptake

NASA Astrophysics Data System (ADS)

Rawal, Amit; Rao, P. V. Kameswara; Kumar, Vijay

2018-04-01

Absorptive glass mat (AGM) separator is a vital technical component in valve regulated lead acid (VRLA) batteries that can be tailored for a desired application. To selectively design and tailor the AGM separator, the intricate three-dimensional (3D) structure needs to be unraveled. Herein, a toolkit of 3D analytical models of pore size distribution and electrolyte uptake expressed via wicking characteristics of AGM separators under unconfined and confined states is presented. 3D data of fiber orientation distributions obtained previously through X-ray micro-computed tomography (microCT) analysis are used as key set of input parameters. The predictive ability of pore size distribution model is assessed through the commonly used experimental set-up that usually apply high level of compressive stresses. Further, the existing analytical model of wicking characteristics of AGM separators has been extended to account for 3D characteristics, and subsequently, compared with the experimental results. A good agreement between the theory and experiments pave the way to simulate the realistic charge-discharge modes of the battery by applying cyclic loading condition. A threshold criterion describing the invariant behavior of pore size and wicking characteristics in terms of maximum permissible limit of key structural parameters during charge-discharge mode of the battery has also been proposed.

Anisotropy enhanced X-ray scattering from solvated transition metal complexes

DOE PAGES

Biasin, Elisa; van Driel, Tim B.; Levi, Gianluca; ...

2018-02-13

Time-resolved X-ray scattering patterns from photoexcited molecules in solution are in many cases anisotropic at the ultrafast time scales accessible at X-ray free-electron lasers (XFELs). This anisotropy arises from the interaction of a linearly polarized UV–Vis pump laser pulse with the sample, which induces anisotropic structural changes that can be captured by femtosecond X-ray pulses. In this work, a method for quantitative analysis of the anisotropic scattering signal arising from an ensemble of molecules is described, and it is demonstrated how its use can enhance the structural sensitivity of the time-resolved X-ray scattering experiment. This method is applied on time-resolvedmore » X-ray scattering patterns measured upon photoexcitation of a solvated di-platinum complex at an XFEL, and the key parameters involved are explored. Here it is shown that a combined analysis of the anisotropic and isotropic difference scattering signals in this experiment allows a more precise determination of the main photoinduced structural change in the solute,i.e.the change in Pt—Pt bond length, and yields more information on the excitation channels than the analysis of the isotropic scattering only. Finally, it is discussed how the anisotropic transient response of the solvent can enable the determination of key experimental parameters such as the instrument response function.« less

Electronic structure of layered ferroelectric high-k titanate La2Ti2O7

NASA Astrophysics Data System (ADS)

Atuchin, V. V.; Gavrilova, T. A.; Grivel, J.-C.; Kesler, V. G.

2009-02-01

The electronic structure of binary titanate La2Ti2O7 has been studied by x-ray photoelectron spectroscopy. Spectral features of valence band and all constituent element core levels have been considered. The Auger parameters of titanium and oxygen in La2Ti2O7 are determined as αTi = 872.4 and αO = 1042.3 eV. Chemical bonding effects have been discussed with binding energy (BE) differences ΔTi = (BE O 1s - BE Ti 2p3/2) = 71.6 eV and ΔLa = (BE La 3d5/2 - BE O 1s) = 304.7 eV as key parameters in comparison with those in several titanium- and lanthanum-bearing oxides.

Electronic structure of layered titanate Nd 2Ti 2O 7

NASA Astrophysics Data System (ADS)

Atuchin, V. V.; Gavrilova, T. A.; Grivel, J.-C.; Kesler, V. G.

2008-10-01

The electronic structure of the binary titanate Nd 2Ti 2O 7 has been studied by X-ray photoelectron spectroscopy (XPS). Spectral features of the valence band and all constituent element core levels have been considered. The Auger parameters of titanium and oxygen in Nd 2Ti 2O 7 are determined as αTi = 873.5 and αO = 1042.2 eV. Chemical bonding effects have been discussed with the binding energies differences ΔTi = (BE O 1s - BE Ti 2p 3/2) = 71.5 eV and ΔNd = (BE Nd 3d 5/2 - BE O 1s) = 452.5 eV as key parameters in comparison with those in other titanium- and neodymium-bearing oxides.

The Status and Prospect of Research into Protective Structures of Bridge Piers against Rockfall Impact

NASA Astrophysics Data System (ADS)

Gao, Liang; Zhang, Shan; Zhang, Junfa; Wu, Xiangnan

2017-06-01

Rockfall impact on bridge piers threats severely the mountain bridge structures of lifeline engineering. Intended for mountain bridge pier protection against rockfall impact, the paper conducted comprehensive reviews on the research status of impact effects, anti-collision structure, impact response to rockfall, and protective design at home and abroad, and proposed a new-type protective structure against rockfall impact. In addition, the paper carried out deep studies on such key scientific issues as impact effect calculation, protective materials against rockfall impact, damage mechanism of protective units, and parameter optimization on the system of protective structures against rockfall impact as well, aiming to strength disaster prevention of mountain bridge structures.

Research on application of several tracking detectors in APT system

NASA Astrophysics Data System (ADS)

Liu, Zhi

2005-01-01

APT system is the key technology in free space optical communication system, and acquisition and tracking detector is the key component in PAT system. There are several candidate detectors that can be used in PAT system, such as CCD, QAPD and CMOS Imager etc. The characteristics of these detectors are quite different, i.e., the structures and the working schemes. This paper gives thoroughly compare of the usage and working principle of CCD and CMOS imager, and discusses the key parameters like tracking error, noise analyses, power analyses etc. Conclusion is given at the end of this paper that CMOS imager is a good candidate detector for PAT system in free space optical communication system.

Enhancement of security using structured phase masked in optical image encryption on Fresnel transform domain

NASA Astrophysics Data System (ADS)

Yadav, Poonam Lata; Singh, Hukum

2018-05-01

To enhance the security in optical image encryption system and to protect it from the attackers, this paper proposes new digital spiral phase mask based on Fresnel Transform. In this cryptosystem the Spiral Phase Mask (SPM) used is a hybrid of Fresnel Zone Plate (FZP) and Radial Hilbert Mask (RHM) which makes the key strong and enhances the security. The different keys used for encryption and decryption purposed make the system much more secure. Proposed scheme uses various structured phase mask which increases the key space also it increases the number of parameters which makes it difficult for the attackers to exactly find the key to recover the original image. We have also used different keys for encryption and decryption purpose to make the system much more secure. The strength of the proposed cryptosystem has been analyzed by simulating on MATLAB 7.9.0(R2008a). Mean Square Errors (MSE) and Peak Signal to Noise Ratio (PSNR) are calculated for the proposed algorithm. The experimental results are provided to highlight the effectiveness and sustainability of proposed cryptosystem and to prove that the cryptosystem is secure for usage.

Titanium nitride plasma-chemical synthesis with titanium tetrachloride raw material in the DC plasma-arc reactor

NASA Astrophysics Data System (ADS)

Kirpichev, D. E.; Sinaiskiy, M. A.; Samokhin, A. V.; Alexeev, N. V.

2017-04-01

The possibility of plasmochemical synthesis of titanium nitride is demonstrated in the paper. Results of the thermodynamic analysis of TiCl4 - H2 - N2 system are presented; key parameters of TiN synthesis process are calculated. The influence of parameters of plasma-chemical titanium nitride synthesis process in the reactor with an arc plasmatron on characteristics on the produced powders is experimentally investigated. Structure, chemical composition and morphology dependencies on plasma jet enthalpy, stoichiometric excess of hydrogen and nitrogen in a plasma jet are determined.

Spectroscopic Ellipsometry Studies of Ag and ZnO Thin Films and Their Interfaces for Thin Film Photovoltaics

NASA Astrophysics Data System (ADS)

Sainju, Deepak

Many modern optical and electronic devices, including photovoltaic devices, consist of multilayered thin film structures. Spectroscopic ellipsometry (SE) is a critically important characterization technique for such multilayers. SE can be applied to measure key parameters related to the structural, optical, and electrical properties of the components of multilayers with high accuracy and precision. One of the key advantages of this non-destructive technique is its capability of monitoring the growth dynamics of thin films in-situ and in real time with monolayer level precision. In this dissertation, the techniques of SE have been applied to study the component layer materials and structures used as back-reflectors and as the transparent contact layers in thin film photovoltaic technologies, including hydrogenated silicon (Si:H), copper indium-gallium diselenide (CIGS), and cadmium telluride (CdTe). The component layer materials, including silver and both intrinsic and doped zinc oxide, are fabricated on crystalline silicon and glass substrates using magnetron sputtering techniques. These thin films are measured in-situ and in real time as well as ex-situ by spectroscopic ellipsometry in order to extract parameters related to the structural properties, such as bulk layer thickness and surface roughness layer thickness and their time evolution, the latter information specific to real time measurements. The index of refraction and extinction coefficient or complex dielectric function of a single unknown layer can also be obtained from the measurement versus photon energy. Applying analytical expressions for these optical properties versus photon energy, parameters that describe electronic transport, such as electrical resistivity and electron scattering time, can be extracted. The SE technique is also performed as the sample is heated in order to derive the effects of annealing on the optical properties and derived electrical transport parameters, as well as the intrinsic temperature dependence of these properties and parameters. One of the major achievements of this dissertation research is the characterization of the thickness and optical properties of the interface layer formed between the silver and zinc oxide layers in a back-reflector structure used in thin film photovoltaics. An understanding of the impact of these thin film material properties on solar cell device performance has been complemented by applying reflectance and transmittance spectroscopy as well as simulations of cell performance.

Design and cost drivers in 2-D braiding

NASA Technical Reports Server (NTRS)

Morales, Alberto

1993-01-01

Fundamentally, the braiding process is a highly efficient, low cost method for combining single yarns into circumferential shapes, as evidenced by the number of applications for continuous sleeving. However, this braiding approach cannot fully demonstrate that it can drastically reduce the cost of complex shape structural preforms. Factors such as part geometry, machine design and configuration, materials used, and operating parameters are described as key cost drivers and what is needed to minimize their effect on elevating the cost of structural braided preforms.

Earth and ocean modeling

NASA Technical Reports Server (NTRS)

Knezovich, F. M.

1976-01-01

A modular structured system of computer programs is presented utilizing earth and ocean dynamical data keyed to finitely defined parameters. The model is an assemblage of mathematical algorithms with an inherent capability of maturation with progressive improvements in observational data frequencies, accuracies and scopes. The Eom in its present state is a first-order approach to a geophysical model of the earth's dynamics.

Key parameters controlling the performance of catalytic motors.

PubMed

Esplandiu, Maria J; Afshar Farniya, Ali; Reguera, David

2016-03-28

The development of autonomous micro/nanomotors driven by self-generated chemical gradients is a topic of high interest given their potential impact in medicine and environmental remediation. Although impressive functionalities of these devices have been demonstrated, a detailed understanding of the propulsion mechanism is still lacking. In this work, we perform a comprehensive numerical analysis of the key parameters governing the actuation of bimetallic catalytic micropumps. We show that the fluid motion is driven by self-generated electro-osmosis where the electric field originates by a proton current rather than by a lateral charge asymmetry inside the double layer. Hence, the surface potential and the electric field are the key parameters for setting the pumping strength and directionality. The proton flux that generates the electric field stems from the proton gradient induced by the electrochemical reactions taken place at the pump. Surprisingly the electric field and consequently the fluid flow are mainly controlled by the ionic strength and not by the conductivity of the solution, as one could have expected. We have also analyzed the influence of the chemical fuel concentration, electrochemical reaction rates, and size of the metallic structures for an optimized pump performance. Our findings cast light on the complex chemomechanical actuation of catalytic motors and provide important clues for the search, design, and optimization of novel catalytic actuators.

Machine-Thermal Coupling Stresses Analysis of the Fin-Type Structural Thermoelectric Generator

NASA Astrophysics Data System (ADS)

Zhang, Zheng; Yue, Hao; Chen, Dongbo; Qin, Delei; Chen, Zijian

2017-05-01

The design structure and heat-transfer mechanism of a thermoelectric generator (TEG) determine its body temperature state. Thermal stress and thermal deformation generated by the temperature variation directly affect the stress state of thermoelectric modules (TEMs). Therefore, the rated temperature and pressing force of TEMs are important parameters in TEG design. Here, the relationships between structural of a fin-type TEG (FTEG) and these parameters are studied by modeling and "machine-thermal" coupling simulation. An indirect calculation method is adopted in the coupling simulation. First, numerical heat transfer calculations of a three-dimensional FTEG model are conducted according to an orthogonal simulation table. The influences of structural parameters for heat transfer in the channel and outer fin temperature distribution are analyzed. The optimal structural parameters are obtained and used to simulate temperature field of the outer fins. Second, taking the thermal calculation results as the initial condition, the thermal-solid coupling calculation is adopted. The thermal stresses of outer fin, mechanical force of spring-angle pressing mechanism, and clamping force on a TEM are analyzed. The simulation results show that the heat transfer area of the inner fin and the physical parameters of the metal materials are the keys to determining the FTEG temperature field. The pressing mechanism's mechanical force can be reduced by reducing the outer fin angle. In addition, a corrugated cooling water pipe, which has cooling and spring functionality, is conducive to establishing an adaptable clamping force to avoid the TEMs being crushed by the thermal stresses in the body.

Preserving Lagrangian Structure in Nonlinear Model Reduction with Application to Structural Dynamics

DOE PAGES

Carlberg, Kevin; Tuminaro, Ray; Boggs, Paul

2015-03-11

Our work proposes a model-reduction methodology that preserves Lagrangian structure and achieves computational efficiency in the presence of high-order nonlinearities and arbitrary parameter dependence. As such, the resulting reduced-order model retains key properties such as energy conservation and symplectic time-evolution maps. We focus on parameterized simple mechanical systems subjected to Rayleigh damping and external forces, and consider an application to nonlinear structural dynamics. To preserve structure, the method first approximates the system's “Lagrangian ingredients''---the Riemannian metric, the potential-energy function, the dissipation function, and the external force---and subsequently derives reduced-order equations of motion by applying the (forced) Euler--Lagrange equation with thesemore » quantities. Moreover, from the algebraic perspective, key contributions include two efficient techniques for approximating parameterized reduced matrices while preserving symmetry and positive definiteness: matrix gappy proper orthogonal decomposition and reduced-basis sparsification. Our results for a parameterized truss-structure problem demonstrate the practical importance of preserving Lagrangian structure and illustrate the proposed method's merits: it reduces computation time while maintaining high accuracy and stability, in contrast to existing nonlinear model-reduction techniques that do not preserve structure.« less

Preserving Lagrangian Structure in Nonlinear Model Reduction with Application to Structural Dynamics

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

Carlberg, Kevin; Tuminaro, Ray; Boggs, Paul

Our work proposes a model-reduction methodology that preserves Lagrangian structure and achieves computational efficiency in the presence of high-order nonlinearities and arbitrary parameter dependence. As such, the resulting reduced-order model retains key properties such as energy conservation and symplectic time-evolution maps. We focus on parameterized simple mechanical systems subjected to Rayleigh damping and external forces, and consider an application to nonlinear structural dynamics. To preserve structure, the method first approximates the system's “Lagrangian ingredients''---the Riemannian metric, the potential-energy function, the dissipation function, and the external force---and subsequently derives reduced-order equations of motion by applying the (forced) Euler--Lagrange equation with thesemore » quantities. Moreover, from the algebraic perspective, key contributions include two efficient techniques for approximating parameterized reduced matrices while preserving symmetry and positive definiteness: matrix gappy proper orthogonal decomposition and reduced-basis sparsification. Our results for a parameterized truss-structure problem demonstrate the practical importance of preserving Lagrangian structure and illustrate the proposed method's merits: it reduces computation time while maintaining high accuracy and stability, in contrast to existing nonlinear model-reduction techniques that do not preserve structure.« less

Analysis of Relationships between the Level of Errors in Leg and Monofin Movement and Stroke Parameters in Monofin Swimming

PubMed Central

Rejman, Marek

2013-01-01

The aim of this study was to analyze the error structure in propulsive movements with regard to its influence on monofin swimming speed. The random cycles performed by six swimmers were filmed during a progressive test (900m). An objective method to estimate errors committed in the area of angular displacement of the feet and monofin segments was employed. The parameters were compared with a previously described model. Mutual dependences between the level of errors, stroke frequency, stroke length and amplitude in relation to swimming velocity were analyzed. The results showed that proper foot movements and the avoidance of errors, arising at the distal part of the fin, ensure the progression of swimming speed. The individual stroke parameters distribution which consists of optimally increasing stroke frequency to the maximal possible level that enables the stabilization of stroke length leads to the minimization of errors. Identification of key elements in the stroke structure based on the analysis of errors committed should aid in improving monofin swimming technique. Key points The monofin swimming technique was evaluated through the prism of objectively defined errors committed by the swimmers. The dependences between the level of errors, stroke rate, stroke length and amplitude in relation to swimming velocity were analyzed. Optimally increasing stroke rate to the maximal possible level that enables the stabilization of stroke length leads to the minimization of errors. Propriety foot movement and the avoidance of errors arising at the distal part of fin, provide for the progression of swimming speed. The key elements improving monofin swimming technique, based on the analysis of errors committed, were designated. PMID:24149742

Mapping the coupled role of structure and materials in mechanics of platelet-matrix composites

NASA Astrophysics Data System (ADS)

Farzanian, Shafee; Shahsavari, Rouzbeh

2018-03-01

Despite significant progresses on understanding and mimicking the delicate nano/microstructure of biomaterials such as nacre, decoding the indistinguishable merger of materials and structures in controlling the tradeoff in mechanical properties has been long an engineering pursuit. Herein, we focus on an archetype platelet-matrix composite and perform ∼400 nonlinear finite element simulations to decode the complex interplay between various structural features and material characteristics in conferring the balance of mechanical properties. We study various combinatorial models expressed by four key dimensionless parameters, i.e. characteristic platelet length, matrix plasticity, platelet dissimilarity, and overlap offset, whose effects are all condensed in a new unifying parameter, defined as the multiplication of strength, toughness, and stiffness over composite volume. This parameter, which maximizes at a critical characteristic length, controls the transition from intrinsic toughening (matrix plasticity driven without crack growths) to extrinsic toughening phenomena involving progressive crack propagations. This finding, combined with various abstract volumetric and radar plots, will not only shed light on decoupling the complex role of structure and materials on mechanical performance and their trends, but provides important guidelines for designing lightweight staggered platelet-matrix composites while ensuring the best (balance) of their mechanical properties.

Universal structural parameter to quantitatively predict metallic glass properties

DOE PAGES

Ding, Jun; Cheng, Yong-Qiang; Sheng, Howard; ...

2016-12-12

Quantitatively correlating the amorphous structure in metallic glasses (MGs) with their physical properties has been a long-sought goal. Here we introduce flexibility volume' as a universal indicator, to bridge the structural state the MG is in with its properties, on both atomic and macroscopic levels. The flexibility volume combines static atomic volume with dynamics information via atomic vibrations that probe local configurational space and interaction between neighbouring atoms. We demonstrate that flexibility volume is a physically appropriate parameter that can quantitatively predict the shear modulus, which is at the heart of many key properties of MGs. Moreover, the new parametermore » correlates strongly with atomic packing topology, and also with the activation energy for thermally activated relaxation and the propensity for stress-driven shear transformations. These correlations are expected to be robust across a very wide range of MG compositions, processing conditions and length scales.« less

Structuring of material parameters in lithium niobate crystals with low-mass, high-energy ion radiation

NASA Astrophysics Data System (ADS)

Peithmann, K.; Eversheim, P.-D.; Goetze, J.; Haaks, M.; Hattermann, H.; Haubrich, S.; Hinterberger, F.; Jentjens, L.; Mader, W.; Raeth, N. L.; Schmid, H.; Zamani-Meymian, M.-R.; Maier, K.

2011-10-01

Ferroelectric lithium niobate crystals offer a great potential for applications in modern optics. To provide powerful optical components, tailoring of key material parameters, especially of the refractive index n and the ferroelectric domain landscape, is required. Irradiation of lithium niobate crystals with accelerated ions causes strong structured modifications in the material. The effects induced by low-mass, high-energy ions (such as 3He with 41 MeV, which are not implanted, but transmit through the entire crystal volume) are reviewed. Irradiation yields large changes of the refractive index Δn, improved domain engineering capability within the material along the ion track, and waveguiding structures. The periodic modification of Δn as well as the formation of periodically poled lithium niobate (PPLN) (supported by radiation damage) is described. Two-step knock-on displacement processes, 3He→Nb and 3He→O causing thermal spikes, are identified as origin for the material modifications.

Design Considerations for Thermally Insulating Structural Sandwich Panels for Hypersonic Vehicles

NASA Technical Reports Server (NTRS)

Blosser, Max L.

2016-01-01

Simplified thermal/structural sizing equations were derived for the in-plane loading of a thermally insulating structural sandwich panel. Equations were developed for the strain in the inner and outer face sheets of a sandwich subjected to uniaxial mechanical loads and differences in face sheet temperatures. Simple equations describing situations with no viable solution were developed. Key design parameters, material properties, and design principles are identified. A numerical example illustrates using the equations for a preliminary feasibility assessment of various material combinations and an initial sizing for minimum mass of a sandwich panel.

Structure-activity correlation in transfection promoted by pyridinium cationic lipids.

PubMed

Parvizi-Bahktar, P; Mendez-Campos, J; Raju, L; Khalique, N A; Jubeli, E; Larsen, H; Nicholson, D; Pungente, M D; Fyles, T M

2016-03-21

The efficiency of the transfection of a plasmid DNA encoding a galactosidase promoted by a series of pyridinium lipids in mixtures with other cationic lipids and neutral lipids was assessed in CHO-K1 cells. We identify key molecular parameters of the lipids in the mixture - clog P, lipid length, partial molar volume - to predict the morphology of the lipid-DNA lipoplex and then correlate these same parameters with transfection efficiency in an in vitro assay. We define a Transfection Index that provides a linear correlation with normalized transfection efficiency over a series of 90 different lipoplex compositions. We also explore the influence of the same set of molecular parameters on the cytotoxicity of the formulations.

Model Update of a Micro Air Vehicle (MAV) Flexible Wing Frame with Uncertainty Quantification

NASA Technical Reports Server (NTRS)

Reaves, Mercedes C.; Horta, Lucas G.; Waszak, Martin R.; Morgan, Benjamin G.

2004-01-01

This paper describes a procedure to update parameters in the finite element model of a Micro Air Vehicle (MAV) to improve displacement predictions under aerodynamics loads. Because of fabrication, materials, and geometric uncertainties, a statistical approach combined with Multidisciplinary Design Optimization (MDO) is used to modify key model parameters. Static test data collected using photogrammetry are used to correlate with model predictions. Results show significant improvements in model predictions after parameters are updated; however, computed probabilities values indicate low confidence in updated values and/or model structure errors. Lessons learned in the areas of wing design, test procedures, modeling approaches with geometric nonlinearities, and uncertainties quantification are all documented.

Dynamic Structural Health Monitoring of slender structures using optical sensors.

PubMed

Antunes, Paulo; Travanca, Rui; Rodrigues, Hugo; Melo, José; Jara, José; Varum, Humberto; André, Paulo

2012-01-01

In this paper we summarize the research activities at the Instituto de Telecomunicações--Pólo de Aveiro and University of Aveiro, in the field of fiber Bragg grating based sensors and their applications in dynamic measurements for Structural Health Monitoring of slender structures such as towers. In this work we describe the implementation of an optical biaxial accelerometer based on fiber Bragg gratings inscribed on optical fibers. The proof-of-concept was done with the dynamic monitoring of a reinforced concrete structure and a slender metallic telecommunication tower. Those structures were found to be suitable to demonstrate the feasibility of FBG accelerometers to obtain the structures' natural frequencies, which are the key parameters in Structural Health Monitoring and in the calibration of numerical models used to simulate the structure behavior.

Motor-Skill Learning in an Insect Inspired Neuro-Computational Control System

PubMed Central

Arena, Eleonora; Arena, Paolo; Strauss, Roland; Patané, Luca

2017-01-01

In nature, insects show impressive adaptation and learning capabilities. The proposed computational model takes inspiration from specific structures of the insect brain: after proposing key hypotheses on the direct involvement of the mushroom bodies (MBs) and on their neural organization, we developed a new architecture for motor learning to be applied in insect-like walking robots. The proposed model is a nonlinear control system based on spiking neurons. MBs are modeled as a nonlinear recurrent spiking neural network (SNN) with novel characteristics, able to memorize time evolutions of key parameters of the neural motor controller, so that existing motor primitives can be improved. The adopted control scheme enables the structure to efficiently cope with goal-oriented behavioral motor tasks. Here, a six-legged structure, showing a steady-state exponentially stable locomotion pattern, is exposed to the need of learning new motor skills: moving through the environment, the structure is able to modulate motor commands and implements an obstacle climbing procedure. Experimental results on a simulated hexapod robot are reported; they are obtained in a dynamic simulation environment and the robot mimicks the structures of Drosophila melanogaster. PMID:28337138

Optimization of process parameters for RF sputter deposition of tin-nitride thin-films

NASA Astrophysics Data System (ADS)

Jangid, Teena; Rao, G. Mohan

2018-05-01

Radio frequency Magnetron sputtering technique was employed to deposit Tin-nitride thin films on Si and glass substrate at different process parameters. Influence of varying parameters like substrate temperature, target-substrate distance and RF power is studied in detail. X-ray diffraction method is used as a key technique for analyzing the changes in the stoichiometric and structural properties of the deposited films. Depending on the combination of deposition parameters, crystalline as well as amorphous films were obtained. Pure tin-nitride thin films were deposited at 15W RF power and 600°C substrate temperature with target-substrate distance fixed at 10cm. Bandgap value of 1.6 eV calculated for the film deposited at optimum process conditions matches well with reported values.

Topology-optimization-based design method of flexures for mounting the primary mirror of a large-aperture space telescope.

PubMed

Hu, Rui; Liu, Shutian; Li, Quhao

2017-05-20

For the development of a large-aperture space telescope, one of the key techniques is the method for designing the flexures for mounting the primary mirror, as the flexures are the key components. In this paper, a topology-optimization-based method for designing flexures is presented. The structural performances of the mirror system under multiple load conditions, including static gravity and thermal loads, as well as the dynamic vibration, are considered. The mirror surface shape error caused by gravity and the thermal effect is treated as the objective function, and the first-order natural frequency of the mirror structural system is taken as the constraint. The pattern repetition constraint is added, which can ensure symmetrical material distribution. The topology optimization model for flexure design is established. The substructuring method is also used to condense the degrees of freedom (DOF) of all the nodes of the mirror system, except for the nodes that are linked to the mounting flexures, to reduce the computation effort during the optimization iteration process. A potential optimized configuration is achieved by solving the optimization model and post-processing. A detailed shape optimization is subsequently conducted to optimize its dimension parameters. Our optimization method deduces new mounting structures that significantly enhance the optical performance of the mirror system compared to the traditional methods, which only focus on the parameters of existing structures. Design results demonstrate the effectiveness of the proposed optimization method.

The Impact of Dielectric Material and Temperature on Dielectric Charging in RF MEMS Capacitive Switches

NASA Astrophysics Data System (ADS)

Papaioannou, George

The present work attempts to provide a better insight on the dielectric charging in RF-MEMS capacitive switches that constitutes a key issue limiting parameter of their commercialization. The dependence of the charging process on the nature of dielectric materials widely used in these devices, such as SiO2, Si3N4, AlN, Al2O3, Ta2O5, HfO2, which consist of covalent or ionic bonds and may exhibit piezoelectric properties is discussed taking into account the effect of deposition conditions and resulting material stoichiometry. Another key issue parameter that accelerates the charging and discharging processes by providing enough energy to trapped charges to be released and to dipoles to overcome potential barriers and randomize their orientation is the temperature will be investigated too. Finally, the effect of device structure will be also taken into account.

Intrinsic physical conditions and structure of relativistic jets in active galactic nuclei

NASA Astrophysics Data System (ADS)

Nokhrina, E. E.; Beskin, V. S.; Kovalev, Y. Y.; Zheltoukhov, A. A.

2015-03-01

The analysis of the frequency dependence of the observed shift of the cores of relativistic jets in active galactic nuclei (AGNs) allows us to evaluate the number density of the outflowing plasma ne and, hence, the multiplicity parameter λ = ne/nGJ, where nGJ is the Goldreich-Julian number density. We have obtained the median value for λmed = 3 × 1013 and the median value for the Michel magnetization parameter σM, med = 8 from an analysis of 97 sources. Since the magnetization parameter can be interpreted as the maximum possible Lorentz factor Γ of the bulk motion which can be obtained for relativistic magnetohydrodynamic (MHD) flow, this estimate is in agreement with the observed superluminal motion of bright features in AGN jets. Moreover, knowing these key parameters, one can determine the transverse structure of the flow. We show that the poloidal magnetic field and particle number density are much larger in the centre of the jet than near the jet boundary. The MHD model can also explain the typical observed level of jet acceleration. Finally, casual connectivity of strongly collimated jets is discussed.

The Backscattering Enigma in Natural Waters

DTIC Science & Technology

2006-09-30

down because the effects of changing particle composition are not adequately understood. Our long term goal is to better understand the source of...natural waters. APPROACH A key focus over the last year has been determining the scattering properties of phytoplankton populations and...spaces, etc.), and forms the basis of the terrestrial biomass parameter NDVI (normalized difference vegetation index). However, plant cell structures

Special Workshop: Kolsky/Split Hopkinson Pressure Bar Testing of Ceramics

DTIC Science & Technology

2006-09-01

merit) control armor performance and how these properties are controlled/ influenced by intrinsic (crystal structure, phase transitions, and single...reproducibility uncertainties (estimates of precision) could be quantified and also identify key parameters that should be controlled in SHPB/Kolsky testing...control performance? Are there figures of merit? How are the mechanical properties influenced by intrinsic and extrinsic material characteristics

BAYESIAN PROTEIN STRUCTURE ALIGNMENT.

PubMed

Rodriguez, Abel; Schmidler, Scott C

The analysis of the three-dimensional structure of proteins is an important topic in molecular biochemistry. Structure plays a critical role in defining the function of proteins and is more strongly conserved than amino acid sequence over evolutionary timescales. A key challenge is the identification and evaluation of structural similarity between proteins; such analysis can aid in understanding the role of newly discovered proteins and help elucidate evolutionary relationships between organisms. Computational biologists have developed many clever algorithmic techniques for comparing protein structures, however, all are based on heuristic optimization criteria, making statistical interpretation somewhat difficult. Here we present a fully probabilistic framework for pairwise structural alignment of proteins. Our approach has several advantages, including the ability to capture alignment uncertainty and to estimate key "gap" parameters which critically affect the quality of the alignment. We show that several existing alignment methods arise as maximum a posteriori estimates under specific choices of prior distributions and error models. Our probabilistic framework is also easily extended to incorporate additional information, which we demonstrate by including primary sequence information to generate simultaneous sequence-structure alignments that can resolve ambiguities obtained using structure alone. This combined model also provides a natural approach for the difficult task of estimating evolutionary distance based on structural alignments. The model is illustrated by comparison with well-established methods on several challenging protein alignment examples.

Review of Concrete Biodeterioration in Relation to Buried Nuclear Waste

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

Turick, C; Berry, C.

Long-term storage of low level radioactive material in below ground concrete disposal units (DUs) (Saltstone Disposal Facility) is a means of depositing wastes generated from nuclear operations of the U.S. Department of Energy. Based on the currently modeled degradation mechanisms, possible microbial induced effects on the structural integrity of buried low level wastes must be addressed. Previous international efforts related to microbial impacts on concrete structures that house low level radioactive waste showed that microbial activity can play a significant role in the process of concrete degradation and ultimately structural deterioration. This literature review examines the recent research in thismore » field and is focused on specific parameters that are applicable to modeling and prediction of the fate of concrete vaults housing stored wastes and the wastes themselves. Rates of concrete biodegradation vary with the environmental conditions, illustrating a need to understand the bioavailability of key compounds involved in microbial activity. Specific parameters require pH and osmotic pressure to be within a certain range to allow for microbial growth as well as the availability and abundance of energy sources like components involved in sulfur, iron and nitrogen oxidation. Carbon flow and availability are also factors to consider in predicting concrete biodegradation. The results of this review suggest that microbial activity in Saltstone, (grouted low level radioactive waste) is unlikely due to very high pH and osmotic pressure. Biodegradation of the concrete vaults housing the radioactive waste however, is a possibility. The rate and degree of concrete biodegradation is dependent on numerous physical, chemical and biological parameters. Results from this review point to parameters to focus on for modeling activities and also, possible options for mitigation that would minimize concrete biodegradation. In addition, key chemical components that drive microbial activity on concrete surfaces are discussed.« less

3-D Simulation of Earthquakes on the Cascadia Megathrust: Key Parameters and Constraints from Offshore Structure and Seismicity

NASA Astrophysics Data System (ADS)

Wirth, E. A.; Frankel, A. D.; Vidale, J. E.; Stone, I.; Nasser, M.; Stephenson, W. J.

2017-12-01

The Cascadia subduction zone has a long history of M8 to M9 earthquakes, inferred from coastal subsidence, tsunami records, and submarine landslides. These megathrust earthquakes occur mostly offshore, and an improved characterization of the megathrust is critical for accurate seismic hazard assessment in the Pacific Northwest. We run numerical simulations of 50 magnitude 9 earthquake rupture scenarios on the Cascadia megathrust, using a 3-D velocity model based on geologic constraints and regional seismicity, as well as active and passive source seismic studies. We identify key parameters that control the intensity of ground shaking and resulting seismic hazard. Variations in the down-dip limit of rupture (e.g., extending rupture to the top of the non-volcanic tremor zone, compared to a completely offshore rupture) result in a 2-3x difference in peak ground acceleration (PGA) for the inland city of Seattle, Washington. Comparisons of our simulations to paleoseismic data suggest that rupture extending to the 1 cm/yr locking contour (i.e., mostly offshore) provides the best fit to estimates of coastal subsidence during previous Cascadia earthquakes, but further constraints on the down-dip limit from microseismicity, offshore geodetics, and paleoseismic evidence are needed. Similarly, our simulations demonstrate that coastal communities experience a four-fold increase in PGA depending upon their proximity to strong-motion-generating areas (i.e., high strength asperities) on the deeper portions of the megathrust. An improved understanding of the structure and rheology of the plate interface and accretionary wedge, and better detection of offshore seismicity, may allow us to forecast locations of these asperities during a future Cascadia earthquake. In addition to these parameters, the seismic velocity and attenuation structure offshore also strongly affects the resulting ground shaking. This work outlines the range of plausible ground motions from an M9 Cascadia earthquake, and highlights the importance of offshore studies for constraining critical parameters and seismic hazard in the Pacific Northwest.

Mechatronic design of a novel linear compliant positioning stage with large travel range and high out-of-plane payload capacity

NASA Astrophysics Data System (ADS)

Liu, Hua; Xie, Xin; Tan, Ruoyu; Zhang, Lianchao; Fan, Dapeng

2017-06-01

Most of the XY positioning stages proposed in previous studies are mainly designed by considering only a single performance indicator of the stage. As a result, the other performance indicators are relatively weak. In this study, a 2-degree-of-freedom linear compliant positioning stage (LCPS) is developed by mechatronic design to balance the interacting performance indicators and realize the desired positioning stage. The key parameters and the coupling of the structure and actuators are completely considered in the design. The LCPS consists of four voice coil motors (VCMs), which are conformally designed for compactness, and six spatial leaf spring parallelograms. These parallelograms are serially connected for a large travel range and a high out-of-plane payload capacity. The mechatronic model is established by matrix structural analysis for structural modeling and by Kirchhoff's law for the VCMs. The sensitivities of the key parameters are analyzed, and the design parameters are subsequently determined. The analytical model of the stage is confirmed by experiments. The stage has a travel range of 4.4 mm × 7.0 mm and a 0.16% area ratio of workspace to the outer dimension of the stage. The values of these performance indicators are greater than those of any existing stage reported in the literature. The closed-loop bandwidth is 9.5 Hz in both working directions. The stage can track a circular trajectory with a radius of 1.5 mm, with 40 mm error and a resolution of lower than 3 mm. The results of payload tests indicate that the stage has at least 20 kg outof- plane payload capacity.

Black Hole Mergers as Probes of Structure Formation

NASA Technical Reports Server (NTRS)

Alicea-Munoz, E.; Miller, M. Coleman

2008-01-01

Intense structure formation and reionization occur at high redshift, yet there is currently little observational information about this very important epoch. Observations of gravitational waves from massive black hole (MBH) mergers can provide us with important clues about the formation of structures in the early universe. Past efforts have been limited to calculating merger rates using different models in which many assumptions are made about the specific values of physical parameters of the mergers, resulting in merger rate estimates that span a very wide range (0.1 - 104 mergers/year). Here we develop a semi-analytical, phenomenological model of MBH mergers that includes plausible combinations of several physical parameters, which we then turn around to determine how well observations with the Laser Interferometer Space Antenna (LISA) will be able to enhance our understanding of the universe during the critical z 5 - 30 structure formation era. We do this by generating synthetic LISA observable data (total BH mass, BH mass ratio, redshift, merger rates), which are then analyzed using a Markov Chain Monte Carlo method. This allows us to constrain the physical parameters of the mergers. We find that our methodology works well at estimating merger parameters, consistently giving results within 1- of the input parameter values. We also discover that the number of merger events is a key discriminant among models. This helps our method be robust against observational uncertainties. Our approach, which at this stage constitutes a proof of principle, can be readily extended to physical models and to more general problems in cosmology and gravitational wave astrophysics.

Dynamic Structural Health Monitoring of Slender Structures Using Optical Sensors

PubMed Central

Antunes, Paulo; Travanca, Rui; Rodrigues, Hugo; Melo, José; Jara, José; Varum, Humberto; André, Paulo

2012-01-01

In this paper we summarize the research activities at the Instituto de Telecomunicações—Pólo de Aveiro and University of Aveiro, in the field of fiber Bragg grating based sensors and their applications in dynamic measurements for Structural Health Monitoring of slender structures such as towers. In this work we describe the implementation of an optical biaxial accelerometer based on fiber Bragg gratings inscribed on optical fibers. The proof-of-concept was done with the dynamic monitoring of a reinforced concrete structure and a slender metallic telecommunication tower. Those structures were found to be suitable to demonstrate the feasibility of FBG accelerometers to obtain the structures' natural frequencies, which are the key parameters in Structural Health Monitoring and in the calibration of numerical models used to simulate the structure behavior. PMID:22778661

Key parameters controlling the performance of catalytic motors

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

Esplandiu, Maria J.; Afshar Farniya, Ali; Reguera, David, E-mail: dreguera@ub.edu

2016-03-28

The development of autonomous micro/nanomotors driven by self-generated chemical gradients is a topic of high interest given their potential impact in medicine and environmental remediation. Although impressive functionalities of these devices have been demonstrated, a detailed understanding of the propulsion mechanism is still lacking. In this work, we perform a comprehensive numerical analysis of the key parameters governing the actuation of bimetallic catalytic micropumps. We show that the fluid motion is driven by self-generated electro-osmosis where the electric field originates by a proton current rather than by a lateral charge asymmetry inside the double layer. Hence, the surface potential andmore » the electric field are the key parameters for setting the pumping strength and directionality. The proton flux that generates the electric field stems from the proton gradient induced by the electrochemical reactions taken place at the pump. Surprisingly the electric field and consequently the fluid flow are mainly controlled by the ionic strength and not by the conductivity of the solution, as one could have expected. We have also analyzed the influence of the chemical fuel concentration, electrochemical reaction rates, and size of the metallic structures for an optimized pump performance. Our findings cast light on the complex chemomechanical actuation of catalytic motors and provide important clues for the search, design, and optimization of novel catalytic actuators.« less

The physiological determinants of drug-induced lysosomal stress resistance

PubMed Central

Woldemichael, Tehetina; Rosania, Gus R.

2017-01-01

Many weakly basic, lipophilic drugs accumulate in lysosomes and exert complex, pleiotropic effects on organelle structure and function. Thus, modeling how perturbations of lysosomal physiology affect the maintenance of lysosomal ion homeostasis is necessary to elucidate the key factors which determine the toxicological effects of lysosomotropic agents, in a cell-type dependent manner. Accordingly, a physiologically-based mathematical modeling and simulation approach was used to explore the dynamic, multi-parameter phenomenon of lysosomal stress. With this approach, parameters that are either directly involved in lysosomal ion transportation or lysosomal morphology were transiently altered to investigate their downstream effects on lysosomal physiology reflected by the changes they induce in lysosomal pH, chloride, and membrane potential. In addition, combinations of parameters were simultaneously altered to assess which parameter was most critical for recovery of normal lysosomal physiology. Lastly, to explore the relationship between organelle morphology and induced stress, we investigated the effects of parameters controlling organelle geometry on the restoration of normal lysosomal physiology following a transient perturbation. Collectively, our results indicate a key, interdependent role of V-ATPase number and membrane proton permeability in lysosomal stress tolerance. This suggests that the cell-type dependent regulation of V-ATPase subunit expression and turnover, together with the proton permeability properties of the lysosomal membrane, is critical to understand the differential sensitivity or resistance of different cell types to the toxic effects of lysosomotropic drugs. PMID:29117253

Novel secret key generation techniques using memristor devices

NASA Astrophysics Data System (ADS)

Abunahla, Heba; Shehada, Dina; Yeun, Chan Yeob; Mohammad, Baker; Jaoude, Maguy Abi

2016-02-01

This paper proposes novel secret key generation techniques using memristor devices. The approach depends on using the initial profile of a memristor as a master key. In addition, session keys are generated using the master key and other specified parameters. In contrast to existing memristor-based security approaches, the proposed development is cost effective and power efficient since the operation can be achieved with a single device rather than a crossbar structure. An algorithm is suggested and demonstrated using physics based Matlab model. It is shown that the generated keys can have dynamic size which provides perfect security. Moreover, the proposed encryption and decryption technique using the memristor based generated keys outperforms Triple Data Encryption Standard (3DES) and Advanced Encryption Standard (AES) in terms of processing time. This paper is enriched by providing characterization results of a fabricated microscale Al/TiO2/Al memristor prototype in order to prove the concept of the proposed approach and study the impacts of process variations. The work proposed in this paper is a milestone towards System On Chip (SOC) memristor based security.

Stiff, light, strong and ductile: nano-structured High Modulus Steel.

PubMed

Springer, H; Baron, C; Szczepaniak, A; Uhlenwinkel, V; Raabe, D

2017-06-05

Structural material development for lightweight applications aims at improving the key parameters strength, stiffness and ductility at low density, but these properties are typically mutually exclusive. Here we present how we overcome this trade-off with a new class of nano-structured steel - TiB 2 composites synthesised in-situ via bulk metallurgical spray-forming. Owing to the nano-sized dispersion of the TiB 2 particles of extreme stiffness and low density - obtained by the in-situ formation with rapid solidification kinetics - the new material has the mechanical performance of advanced high strength steels, and a 25% higher stiffness/density ratio than any of the currently used high strength steels, aluminium, magnesium and titanium alloys. This renders this High Modulus Steel the first density-reduced, high stiffness, high strength and yet ductile material which can be produced on an industrial scale. Also ideally suited for 3D printing technology, this material addresses all key requirements for high performance and cost effective lightweight design.

Structural heritage, reactivation and distribution of fault and fracture network in a rifting context: Case study of the western shoulder of the Upper Rhine Graben

NASA Astrophysics Data System (ADS)

Bertrand, Lionel; Jusseaume, Jessie; Géraud, Yves; Diraison, Marc; Damy, Pierre-Clément; Navelot, Vivien; Haffen, Sébastien

2018-03-01

In fractured reservoirs in the basement of extensional basins, fault and fracture parameters like density, spacing and length distribution are key properties for modelling and prediction of reservoir properties and fluids flow. As only large faults are detectable using basin-scale geophysical investigations, these fine-scale parameters need to be inferred from faults and fractures in analogous rocks at the outcrop. In this study, we use the western shoulder of the Upper Rhine Graben as an outcropping analogue of several deep borehole projects in the basement of the graben. Geological regional data, DTM (Digital Terrain Model) mapping and outcrop studies with scanlines are used to determine the spatial arrangement of the faults from the regional to the reservoir scale. The data shows that: 1) The fault network can be hierarchized in three different orders of scale and structural blocks with a characteristic structuration. This is consistent with other basement rocks studies in other rifting system allowing the extrapolation of the important parameters for modelling. 2) In the structural blocks, the fracture network linked to the faults is linked to the interplay between rock facies variation linked to the rock emplacement and the rifting event.

Perception of Sexual Orientation from Facial Structure: A Study with Artificial Face Models.

PubMed

González-Álvarez, Julio

2017-07-01

Research has shown that lay people can perceive sexual orientation better than chance from face stimuli. However, the relation between facial structure and sexual orientation has been scarcely examined. Recently, an extensive morphometric study on a large sample of Canadian people (Skorska, Geniole, Vrysen, McCormick, & Bogaert, 2015) identified three (in men) and four (in women) facial features as unique multivariate predictors of sexual orientation in each sex group. The present study tested the perceptual validity of these facial traits with two experiments based on realistic artificial 3D face models created by manipulating the key parameters and presented to Spanish participants. Experiment 1 included 200 White and Black face models of both sexes. The results showed an overall accuracy (0.74) clearly above chance in a binary hetero/homosexual judgment task and significant differences depending on the race and sex of the face models. Experiment 2 produced five versions of 24 artificial faces of both sexes varying the key parameters in equal steps, and participants had to rate on a 1-7 scale how likely they thought that the depicted person had a homosexual sexual orientation. Rating scores displayed an almost perfect linear regression as a function of the parameter steps. In summary, both experiments demonstrated the perceptual validity of the seven multivariate predictors identified by Skorska et al. and open up new avenues for further research on this issue with artificial face models.

Radiosounding in the planned mission to Phobos

NASA Astrophysics Data System (ADS)

Zakharov, A. V.; Eismont, N. A.; Gotlib, V. M.; Smirnov, V. M.; Yushkova, O. V.; Marchuk, V. N.

2017-09-01

The opportunities to study Phobos' internal structure provided by radio methods are considered in this paper. The necessity of these studies is related to solution of the problem of the origin of the Martian moons. Radiosounding is one of the most efficient methods of analyzing the internal structure of small space objects and, in particular, that of Phobos. The new Boomerang project planned according to the Federal Space Program of Russia for 2016—2025 within the Expedition-M program aimed at the exploration of Phobos and delivery of soil samples from its surface to the Earth, as well as the specifics of a ballistic scenario of this expedition, provide a unique opportunity to carry out radioscopy of this space object to discover the internal structure Phobos and to solve the key problem of its origin. The model of Phobos' internal structure, radiosounding ballistic conditions, analysis of optimum frequency range of sounding, and key parameters of the device required for the experiment are considered in this paper. The significance of proposed studies and opportunities for their implementation are discussed.

Automatic Inference of Cryptographic Key Length Based on Analysis of Proof Tightness

DTIC Science & Technology

2016-06-01

within an attack tree structure, then expand attack tree methodology to include cryptographic reductions. We then provide the algorithms for...maintaining and automatically reasoning about these expanded attack trees . We provide a software tool that utilizes machine-readable proof and attack metadata...and the attack tree methodology to provide rapid and precise answers regarding security parameters and effective security. This eliminates the need

Gravity Data from the Teboursouk Area ("Diapirs Zone", Northern Tunisia): Characterization of Deep Structures and Updated Tectonic Pattern

NASA Astrophysics Data System (ADS)

Hachani, Fatma; Balti, Hadhemi; Kadri, Ali; Gasmi, Mohamed

2016-04-01

Located between eastern segments of the Atlas and Tell-Rif oro-genic belts, the "Dome zone" of northern Tunisia is characterized by the juxtaposition of various structures that mainly controlled the long geody-namic history of this part of the south-Tethyan Margin. To better understand the organization and deep extension of these structures, gravity data from the Teboursouk key area are proposed. These data include the plotting of Bouguer anomaly map and related parameters such as vertical and horizontal gradients, upward continuation and Euler solution. Compared to geological and structural maps available, they allow the identification of new deep structures and greater precision regarding the characteristics and organization of known ones; consequently, an updated structural pattern is proposed.

Properties of Air Traffic Conflicts for Free and Structured Routing

NASA Technical Reports Server (NTRS)

Bilimoria, Karl D.; Lee, Hilda Q.

2001-01-01

This paper analyzes the properties of air traffic conflicts in a future free routing system against those in the current structured routing system. Simulation of en route air traffic operations (above 18,000 ft) over the contiguous United States for a 24-hour period, constructed with initial conditions from actual air traffic data, were conducted using the Future ATM Concepts Evaluation Tool (FACET). Free routes were modeled as great circle (direct) routes from origin to destination, and structured routes were derived from actual flight plans along the current system of air routes. The conflict properties analyzed in this study include: (1) Total number of conflicts; (2) Distributions of key conflict parameters; and, (3) Categorization of conflicts into independent conflicts and two types of interacting conflicts. Preliminary results (for Denver Center traffic) indicate that conflict properties in a free routing system are different from those in the current structured routing system. In particular, a free routing system has significantly fewer conflicts, involving a correspondingly smaller number of aircraft, compared to the current structured routing system. Additionally, the conflict parameter distributions indicate that free routing conflicts are less intrusive than structured routing conflicts, and would therefore require small trajectory deviations for resolution.

An optical fiber spool for laser stabilization with reduced acceleration sensitivity to 10-12/g

NASA Astrophysics Data System (ADS)

Hu, Yong-Qi; Dong, Jing; Huang, Jun-Chao; Li, Tang; Liu, Liang

2015-10-01

Environmental vibration causes mechanical deformation in optical fibers, which induces excess frequency noise in fiber-stabilized lasers. In order to solve such a problem, we propose an ultralow acceleration sensitivity fiber spool with symmetrically mounted structure. By numerical analysis with the finite element method, we obtain the optimal geometry parameters of the spool with which the horizontal and vertical acceleration sensitivity can be reduced to 3.25 × 10-12/g and 5.38 × 10-12/g respectively. Moreover, the structure features the insensitivity to the variation of geometry parameters, which will minimize the influence from numerical simulation error and manufacture tolerance. Project supported by the National Natural Science Foundation of China (Grant Nos. 11034008 and 11274324) and the Key Research Program of the Chinese Academy of Sciences (Grant No. KJZD-EW-W02).

A Flexile and High Precision Calibration Method for Binocular Structured Light Scanning System

PubMed Central

Yuan, Jianying; Wang, Qiong; Li, Bailin

2014-01-01

3D (three-dimensional) structured light scanning system is widely used in the field of reverse engineering, quality inspection, and so forth. Camera calibration is the key for scanning precision. Currently, 2D (two-dimensional) or 3D fine processed calibration reference object is usually applied for high calibration precision, which is difficult to operate and the cost is high. In this paper, a novel calibration method is proposed with a scale bar and some artificial coded targets placed randomly in the measuring volume. The principle of the proposed method is based on hierarchical self-calibration and bundle adjustment. We get initial intrinsic parameters from images. Initial extrinsic parameters in projective space are estimated with the method of factorization and then upgraded to Euclidean space with orthogonality of rotation matrix and rank 3 of the absolute quadric as constraint. Last, all camera parameters are refined through bundle adjustment. Real experiments show that the proposed method is robust, and has the same precision level as the result using delicate artificial reference object, but the hardware cost is very low compared with the current calibration method used in 3D structured light scanning system. PMID:25202736

Experimental Study on Mechanical Properties and Porosity of Organic Microcapsules Based Self-Healing Cementitious Composite.

PubMed

Wang, Xianfeng; Sun, Peipei; Han, Ningxu; Xing, Feng

2017-01-01

Encapsulation of healing agents embedded in a material matrix has become one of the major approaches for achieving self-healing function in cementitious materials in recent years. A novel type of microcapsules based self-healing cementitious composite was developed in Guangdong Provincial Key Laboratory of Durability for Marine Civil Engineering, Shenzhen University. In this study, both macro performance and the microstructure of the composite are investigated. The macro performance was evaluated by employing the compressive strength and the dynamic modulus, whereas the microstructure was represented by the pore structure parameters such as porosity, cumulative-pore volume, and average-pore diameter, which are significantly correlated to the pore-size distribution and the compressive strength. The results showed that both the compressive strength and the dynamic modulus, as well as the pore structure parameters such as porosity, cumulative-pore volume, and average-pore diameter of the specimen decrease to some extent with the amount of microcapsules. However, the self-healing rate and the recovery rate of the specimen performance and the pore-structure parameters increase with the amount of microcapsules. The results should confirm the self-healing function of microcapsules in the cementitious composite from macroscopic and microscopic viewpoints.

Experimental Study on Mechanical Properties and Porosity of Organic Microcapsules Based Self-Healing Cementitious Composite

PubMed Central

Wang, Xianfeng; Sun, Peipei; Han, Ningxu; Xing, Feng

2017-01-01

Encapsulation of healing agents embedded in a material matrix has become one of the major approaches for achieving self-healing function in cementitious materials in recent years. A novel type of microcapsules based self-healing cementitious composite was developed in Guangdong Provincial Key Laboratory of Durability for Marine Civil Engineering, Shenzhen University. In this study, both macro performance and the microstructure of the composite are investigated. The macro performance was evaluated by employing the compressive strength and the dynamic modulus, whereas the microstructure was represented by the pore structure parameters such as porosity, cumulative-pore volume, and average-pore diameter, which are significantly correlated to the pore-size distribution and the compressive strength. The results showed that both the compressive strength and the dynamic modulus, as well as the pore structure parameters such as porosity, cumulative-pore volume, and average-pore diameter of the specimen decrease to some extent with the amount of microcapsules. However, the self-healing rate and the recovery rate of the specimen performance and the pore-structure parameters increase with the amount of microcapsules. The results should confirm the self-healing function of microcapsules in the cementitious composite from macroscopic and microscopic viewpoints. PMID:28772382

Microwave spectrum and structural parameters for the formamide-formic acid dimer.

PubMed

Daly, Adam M; Sargus, Bryan A; Kukolich, Stephen G

2010-11-07

The rotational spectra for six isotopologues of the complex formed between formamide and formic acid have been measured using a pulsed-beam Fourier transform microwave spectrometer and analyzed to obtain rotational constants and quadrupole coupling parameters. The rotational constants and quadrupole coupling strengths obtained for H  (12)COOH-H(2)  (14)NCOH are A = 5889.465(2), B = 2148.7409(7), 1575.1234(6), eQq(aa) = 1.014(5), eQq(bb) = 1.99(1), and eQq(cc) = -3.00(1) MHz. Using the 15 rotational constants obtained for the H  (13)COOH, HCOOD, DCOOH, and H(2)  (15)NCHO isotopologues, key structural parameters were obtained from a least-squares structure fit. Hydrogen bond distances of 1.78 Å for R(O3⋯H1) and 1.79 Å for R(H4⋯O1) were obtained. The "best fit" value for the angle(C-O-H) of formic acid is significantly larger than the monomer value of 106.9° with an optimum value of 121.7(3)°. The complex is nearly planar with inertial defect Δ = -0.158 amu  Å(2). The formamide proton is moved out of the molecular plane by 15(3)° for the best fit structure. Density functional theory using B3PW91, HCTH407, and TPSS as well as MP2 and CCSD calculations were performed using 6-311++G(d,p) and the results were compared to experimentally determined parameters.

White-light Interferometry using a Channeled Spectrum: II. Calibration Methods, Numerical and Experimental Results

NASA Technical Reports Server (NTRS)

Zhai, Chengxing; Milman, Mark H.; Regehr, Martin W.; Best, Paul K.

2007-01-01

In the companion paper, [Appl. Opt. 46, 5853 (2007)] a highly accurate white light interference model was developed from just a few key parameters characterized in terms of various moments of the source and instrument transmission function. We develop and implement the end-to-end process of calibrating these moment parameters together with the differential dispersion of the instrument and applying them to the algorithms developed in the companion paper. The calibration procedure developed herein is based on first obtaining the standard monochromatic parameters at the pixel level: wavenumber, phase, intensity, and visibility parameters via a nonlinear least-squares procedure that exploits the structure of the model. The pixel level parameters are then combined to obtain the required 'global' moment and dispersion parameters. The process is applied to both simulated scenarios of astrometric observations and to data from the microarcsecond metrology testbed (MAM), an interferometer testbed that has played a prominent role in the development of this technology.

pyNBS: A Python implementation for network-based stratification of tumor mutations.

PubMed

Huang, Justin K; Jia, Tongqiu; Carlin, Daniel E; Ideker, Trey

2018-03-28

We present pyNBS: a modularized Python 2.7 implementation of the network-based stratification (NBS) algorithm for stratifying tumor somatic mutation profiles into molecularly and clinically relevant subtypes. In addition to release of the software, we benchmark its key parameters and provide a compact cancer reference network that increases the significance of tumor stratification using the NBS algorithm. The structure of the code exposes key steps of the algorithm to foster further collaborative development. The package, along with examples and data, can be downloaded and installed from the URL http://www.github.com/huangger/pyNBS/. jkh013@ucsd.edu.

High Temperature Materials Needs in NASA's Advanced Space Propulsion Programs

NASA Technical Reports Server (NTRS)

Eckel, Andrew J.; Glass, David E.

2005-01-01

In recent years, NASA has embarked on several new and exciting efforts in the exploration and use of space. The successful accomplishment of many planned missions and projects is dependent upon the development and deployment of previously unproven propulsion systems. Key to many of the propulsion systems is the use of emergent materials systems, particularly high temperature structural composites. A review of the general missions and benefits of utilizing high temperature materials will be presented. The design parameters and operating conditions will be presented for both specific missions/vehicles and classes of components. Key technical challenges and opportunities are identified along with suggested paths for addressing them.

Conversion and matched filter approximations for serial minimum-shift keyed modulation

NASA Technical Reports Server (NTRS)

Ziemer, R. E.; Ryan, C. R.; Stilwell, J. H.

1982-01-01

Serial minimum-shift keyed (MSK) modulation, a technique for generating and detecting MSK using series filtering, is ideally suited for high data rate applications provided the required conversion and matched filters can be closely approximated. Low-pass implementations of these filters as parallel inphase- and quadrature-mixer structures are characterized in this paper in terms of signal-to-noise ratio (SNR) degradation from ideal and envelope deviation. Several hardware implementation techniques utilizing microwave devices or lumped elements are presented. Optimization of parameter values results in realizations whose SNR degradation is less than 0.5 dB at error probabilities of .000001.

Assessing local structure motifs using order parameters for motif recognition, interstitial identification, and diffusion path characterization

NASA Astrophysics Data System (ADS)

Zimmermann, Nils E. R.; Horton, Matthew K.; Jain, Anubhav; Haranczyk, Maciej

2017-11-01

Structure-property relationships form the basis of many design rules in materials science, including synthesizability and long-term stability of catalysts, control of electrical and optoelectronic behavior in semiconductors as well as the capacity of and transport properties in cathode materials for rechargeable batteries. The immediate atomic environments (i.e., the first coordination shells) of a few atomic sites are often a key factor in achieving a desired property. Some of the most frequently encountered coordination patterns are tetrahedra, octahedra, body and face-centered cubic as well as hexagonal closed packed-like environments. Here, we showcase the usefulness of local order parameters to identify these basic structural motifs in inorganic solid materials by developing classification criteria. We introduce a systematic testing framework, the Einstein crystal test rig, that probes the response of order parameters to distortions in perfect motifs to validate our approach. Subsequently, we highlight three important application cases. First, we map basic crystal structure information of a large materials database in an intuitive manner by screening the Materials Project (MP) database (61,422 compounds) for element-specific motif distributions. Second, we use the structure-motif recognition capabilities to automatically find interstitials in metals, semiconductor, and insulator materials. Our Interstitialcy Finding Tool (InFiT) facilitates high-throughput screenings of defect properties. Third, the order parameters are reliable and compact quantitative structure descriptors for characterizing diffusion hops of intercalants as our example of magnesium in MnO2-spinel indicates. Finally, the tools developed in our work are readily and freely available as software implementations in the pymatgen library, and we expect them to be further applied to machine-learning approaches for emerging applications in materials science.

Design of a superconducting 28 GHz ion source magnet for FRIB using a shell-based support structure

DOE PAGES

Felice, H.; Rochepault, E.; Hafalia, R.; ...

2014-12-05

The Superconducting Magnet Program at the Lawrence Berkeley National Laboratory (LBNL) is completing the design of a 28 GHz NbTi ion source magnet for the Facility for Rare Isotope Beams (FRIB). The design parameters are based on the parameters of the ECR ion source VENUS in operation at LBNL since 2002 featuring a sextupole-in-solenoids configuration. Whereas most of the magnet components (such as conductor, magnetic design, protection scheme) remain very similar to the VENUS magnet components, the support structure of the FRIB ion source uses a different concept. A shell-based support structure using bladders and keys is implemented in themore » design allowing fine tuning of the sextupole preload and reversibility of the magnet assembly process. As part of the design work, conductor insulation scheme, coil fabrication processes and assembly procedures are also explored to optimize performance. We present the main features of the design emphasizing the integrated design approach used at LBNL to achieve this result.« less

Analytic quantum-interference conditions in Coulomb corrected photoelectron holography

NASA Astrophysics Data System (ADS)

Maxwell, A. S.; Al-Jawahiry, A.; Lai, X. Y.; Figueira de Morisson Faria, C.

2018-02-01

We provide approximate analytic expressions for above-threshold ionization (ATI) transition probabilities and photoelectron angular distributions. These analytic expressions are more general than those existing in the literature and include the residual binding potential in the electron continuum propagation. They successfully reproduce the ATI side lobes and specific holographic structures such as the near-threshold fan-shaped pattern and the spider-like structure that extends up to relatively high photoelectron energies. We compare such expressions with the Coulomb quantum orbit strong-field approximation (CQSFA) and the full solution of the time-dependent Schrödinger equation for different driving-field frequencies and intensities, and provide an in-depth analysis of the physical mechanisms behind specific holographic structures. Our results shed additional light on what aspects of the CQSFA must be prioritized in order to obtain the key holographic features, and highlight the importance of forward scattered trajectories. Furthermore, we find that the holographic patterns change considerably for different field parameters, even if the Keldysh parameter is kept roughly the same.

Sensitivity of Rayleigh wave ellipticity and implications for surface wave inversion

NASA Astrophysics Data System (ADS)

Cercato, Michele

2018-04-01

The use of Rayleigh wave ellipticity has gained increasing popularity in recent years for investigating earth structures, especially for near-surface soil characterization. In spite of its widespread application, the sensitivity of the ellipticity function to the soil structure has been rarely explored in a comprehensive and systematic manner. To this end, a new analytical method is presented for computing the sensitivity of Rayleigh wave ellipticity with respect to the structural parameters of a layered elastic half-space. This method takes advantage of the minor decomposition of the surface wave eigenproblem and is numerically stable at high frequency. This numerical procedure allowed to retrieve the sensitivity for typical near surface and crustal geological scenarios, pointing out the key parameters for ellipticity interpretation under different circumstances. On this basis, a thorough analysis is performed to assess how ellipticity data can efficiently complement surface wave dispersion information in a joint inversion algorithm. The results of synthetic and real-world examples are illustrated to analyse quantitatively the diagnostic potential of the ellipticity data with respect to the soil structure, focusing on the possible sources of misinterpretation in data inversion.

An Efficient Scheme for Crystal Structure Prediction Based on Structural Motifs

DOE PAGES

Zhu, Zizhong; Wu, Ping; Wu, Shunqing; ...

2017-05-15

An efficient scheme based on structural motifs is proposed for the crystal structure prediction of materials. The key advantage of the present method comes in two fold: first, the degrees of freedom of the system are greatly reduced, since each structural motif, regardless of its size, can always be described by a set of parameters (R, θ, φ) with five degrees of freedom; second, the motifs could always appear in the predicted structures when the energies of the structures are relatively low. Both features make the present scheme a very efficient method for predicting desired materials. The method has beenmore » applied to the case of LiFePO 4, an important cathode material for lithium-ion batteries. Numerous new structures of LiFePO 4 have been found, compared to those currently available, available, demonstrating the reliability of the present methodology and illustrating the promise of the concept of structural motifs.« less

An Efficient Scheme for Crystal Structure Prediction Based on Structural Motifs

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

Zhu, Zizhong; Wu, Ping; Wu, Shunqing

An efficient scheme based on structural motifs is proposed for the crystal structure prediction of materials. The key advantage of the present method comes in two fold: first, the degrees of freedom of the system are greatly reduced, since each structural motif, regardless of its size, can always be described by a set of parameters (R, θ, φ) with five degrees of freedom; second, the motifs could always appear in the predicted structures when the energies of the structures are relatively low. Both features make the present scheme a very efficient method for predicting desired materials. The method has beenmore » applied to the case of LiFePO 4, an important cathode material for lithium-ion batteries. Numerous new structures of LiFePO 4 have been found, compared to those currently available, available, demonstrating the reliability of the present methodology and illustrating the promise of the concept of structural motifs.« less

Measurement and modelization of silica opal optical properties

NASA Astrophysics Data System (ADS)

Avoine, Amaury; Hong, Phan Ngoc; Frederich, Hugo; Aregahegn, Kifle; Bénalloul, Paul; Coolen, Laurent; Schwob, Catherine; Thu Nga, Pham; Gallas, Bruno; Maître, Agnès

2014-03-01

We present the synthesis process and optical characterization of artificial silica opals. The specular reflection spectra are analyzed and compared to band structure calculations and finite difference time domain (FDTD) simulations. The silica optical index is a key parameter to correctly describe an opal and is usually not known and treated as a free parameter. Here we propose a method to infer the silica index, as well as the silica spheres diameter, from the reflection spectra and we validate it by comparison with two independent infrared methods for the index and, scanning electron microscopy (SEM) and atomic force microscopy (AFM) measurements for the spheres diameter.

Modelling the potential role of forest thinning in maintaining water supplies under a changing climate across the conterminous United States

Treesearch

Ge Sun; Peter V. Caldwell; Steven G. McNulty

2015-01-01

The goal of this study was to test the sensitivity of water yield to forest thinning and other forest management/disturbances and climate across the conterminous United States (CONUS). Leaf area index (LAI) was selected as a key parameter linking changes in forest ecosystem structure and functions. We used the Water Supply Stress Index model to examine water yield...

Compression-recovery model of absorptive glass mat (AGM) separator guided by X-ray micro-computed tomography analysis

NASA Astrophysics Data System (ADS)

Kameswara Rao, P. V.; Rawal, Amit; Kumar, Vijay; Rajput, Krishn Gopal

2017-10-01

Absorptive glass mat (AGM) separators play a key role in enhancing the cycle life of the valve regulated lead acid (VRLA) batteries by maintaining the elastic characteristics under a defined level of compression force with the plates of the electrodes. Inevitably, there are inherent challenges to maintain the required level of compression characteristics of AGM separators during the charge and discharge of the battery. Herein, we report a three-dimensional (3D) analytical model for predicting the compression-recovery behavior of AGM separators by formulating a direct relationship with the constituent fiber and structural parameters. The analytical model of compression-recovery behavior of AGM separators has successfully included the fiber slippage criterion and internal friction losses. The presented work uses, for the first time, 3D data of fiber orientation from X-ray micro-computed tomography, for predicting the compression-recovery behavior of AGM separators. A comparison has been made between the theoretical and experimental results of compression-recovery behavior of AGM samples with defined fiber orientation characteristics. In general, the theory agreed reasonably well with the experimental results of AGM samples in both dry and wet states. Through theoretical modeling, fiber volume fraction was established as one of the key structural parameters that modulates the compression hysteresis of an AGM separator.

Impact of gate engineering in enhancement mode n++GaN/InAlN/AlN/GaN HEMTs

NASA Astrophysics Data System (ADS)

Adak, Sarosij; Swain, Sanjit Kumar; Rahaman, Hafizur; Sarkar, Chandan Kumar

2016-12-01

This paper illustrate the effect of gate material engineering on the performance of enhancement mode n++GaN/InAlN/AlN/GaN high electron mobility transistors (HEMTs). A comparative analysis of key device parameters is discussed for the Triple Material Gate (TMG), Dual Material Gate (DMG) and the Single Material Gate (SMG) structure HEMTs by considering the same device dimensions. The simulation results shows that an significant improvement is noticed in the key analysis parameters such as drain current (Id), transconductance (gm), cut off frequency (fT), RF current gain, maximum cut off frequency (fmax) and RF power gain of the gate material engineered devices with respect to SMG normally off n++GaN/InAlN/AlN/GaN HEMTs. This improvement is due to the existence of the perceivable step in the surface potential along the channel which successfully screens the drain potential variation in the source side of the channel for the gate engineering devices. The analysis suggested that the proposed TMG and DMG engineered structure enhancement mode n++GaN/InAlN/AlN/GaN HEMTs can be considered as a potential device for future high speed, microwave and digital application.

The Effect of the Khong Wong Yai Parameters on Sounds by FEM

NASA Astrophysics Data System (ADS)

Bamrungwong, Joompon; Woraratsoontorn, Pattaraweerin

2017-07-01

The Khong Wong Yai is called Gong in English but different in number to tune the sounds, beeswax with not exactly amount is pasted under the bossed. It is a Thai’s percussion instrument usually involves some kind of striking on nipple gong. It is composed of 16 units of Gong as a circle of a rattan frame. The bossed or nipple gong embossed in center of a gong generates one key sound. Player has to percuss the gongs to create the rhythm with two hard rubber mallets or soft padded mallets as beaters and sits in the middle of the circle. The sound of the gong usually involves vibration of its own structure. The aim of this analysis is to study the eigen modes and find out the important parameters to generate sound frequency which are excited on the bossed or nipple gong by finite element analysis. In this paper the inertia relief method is to study the sound frequency of the Gong. The results show that the diameter of the Gong, the thickness of flange and the thickness of cylinder formed the Gong are important parameters which can be optimized to obtain the correct sound key.

Synthesis of Patterned Vertically Aligned Carbon Nanotubes by PECVD Using Different Growth Techniques: A Review.

PubMed

Gangele, Aparna; Sharma, Chandra Shekhar; Pandey, Ashok Kumar

2017-04-01

Immense development has been taken place not only to increase the bulk production, repeatability and yield of carbon nanotubes (CNTs) in last 25 years but preference is also given to acknowledge the basic concepts of nucleation and growth methods. Vertically aligned carbon nanotubes (VAC-NTs) are forest of CNTs accommodated perpendicular on a substrate. Their exceptional chemical and physical properties along with sequential arrangement and dense structure make them suitable in various fields. The effect of different type of selected substrate, carbon precursor, catalyst and their physical and chemical status, reaction conditions and many other key parameters have been thoroughly studied and analysed. The aim of this paper is to specify the trend and summarize the effect of key parameters instead of only presenting all the experiments reported till date. The identified trends will be compared with the recent observations on the growth of different types of patterned VACNTs. In this review article, we have presented a comprehensive analysis of different techniques to precisely determine the role of different parameters responsible for the growth of patterned vertical aligned carbon nanotubes. We have covered various techniques proposed in the span of more than two decades to fabricate the different structures and configurations of carbon nanotubes on different types of substrates. Apart from a detailed discussion of each technique along with their specific process and implementation, we have also provided a critical analysis of the associated constraints, benefits and shortcomings. To sum it all for easy reference for researchers, we have tabulated all the techniques based on certain main key factors. This review article comprises of an exhaustive discussion and a handy reference for researchers who are new in the field of synthesis of CNTs or who wants to get abreast with the techniques of determining the growth of VACNTs arrays.

The study of precision measurement of pelvis spatial structure

NASA Astrophysics Data System (ADS)

Ma, Xiang; Ouyang, Jianfei; Qu, Xinghua

2010-03-01

Osteometry is fundamental for anthropometry. It provides the key technology and value to the study of palaeoanthropology, medicine, and criminal investigation. The traditional osteometry that has been widely accepted and used since 18th century has no longer met the information demand for modern research and application. It is significant and necessary to create an advanced 3-dimensional osteometry technique for anthropometry. This paper presents a new quick and accurate method to measure human pelvis through mathematical modeling. The pelvis is a complex combination of bones, which consists of three connected parts: hipbones, sacrum, and coccyx. There are over 40 items to be measured for the 1-dimension characteristics. In this paper, a combined measuring technology is developed for pelvis measurement. It uses machine vision systems and a portable measuring arm to obtain key geometry parameters of the pelvis. The mathematics models of the pelvis spatial structure and its parts are created through the process of data collecting, digging, assembling, and modeling. The experiment shows that the proposed technology can meet traditional osteometry and obtain entire 1D geometric parameters of the pelvis, such as maximum breadth and height, diameter of obstetric conjugata, inclination angle, and sakralneigungswinkel, etc. at the same time after modeling. Besides making the measurements above, the proposed technology can measure the geometry characteristics of pelvis and its parts, such as volume, surface area, curvature, and spatial structure, which are almost impossible for traditional technology. The overall measuring error is less than 0.1mm.

Structural and Functional Analysis of Intact Hair Follicles and Pilosebaceous Units by Volumetric Multispectral Optoacoustic Tomography.

PubMed

Ford, Steven J; Bigliardi, Paul L; Sardella, Thomas C P; Urich, Alexander; Burton, Neal C; Kacprowicz, Marcin; Bigliardi, Mei; Olivo, Malini; Razansky, Daniel

2016-04-01

Visualizing anatomical and functional features of hair follicle development in their unperturbed environment is key in understanding complex mechanisms of hair pathophysiology and in discovery of novel therapies. Of particular interest is in vivo visualization of the intact pilosebaceous unit, vascularization of the hair bulb, and evaluation of the hair cycle, particularly in humans. Furthermore, noninvasive visualization of the sebaceous glands could offer crucial insight into the pathophysiology of follicle-related diseases and dry or seborrheic skin, in particular by combining in vivo imaging with other phenotyping, genotyping, and microbial analyses. The available imaging techniques are limited in their ability for deep tissue in vivo imaging of hair follicles and lipid-rich sebaceous glands in their entirety without biopsy. We developed a noninvasive, painless, and risk-free volumetric multispectral optoacoustic tomography method for deep tissue three-dimensional visualization of whole hair follicles and surrounding structures with high spatial resolution below 80 μm. Herein we demonstrate on-the-fly assessment of key morphometric parameters of follicles and lipid content as well as functional oxygenation parameters of the associated capillary bed. The ease of handheld operation and versatility of the newly developed approach poise it as an indispensable tool for early diagnosis of disorders of the pilosebaceous unit and surrounding structures, and for monitoring the efficacy of cosmetic and therapeutic interventions. Copyright © 2015 The Authors. Published by Elsevier Inc. All rights reserved.

Optimization of the GBMV2 implicit solvent force field for accurate simulation of protein conformational equilibria.

PubMed

Lee, Kuo Hao; Chen, Jianhan

2017-06-15

Accurate treatment of solvent environment is critical for reliable simulations of protein conformational equilibria. Implicit treatment of solvation, such as using the generalized Born (GB) class of models arguably provides an optimal balance between computational efficiency and physical accuracy. Yet, GB models are frequently plagued by a tendency to generate overly compact structures. The physical origins of this drawback are relatively well understood, and the key to a balanced implicit solvent protein force field is careful optimization of physical parameters to achieve a sufficient level of cancellation of errors. The latter has been hampered by the difficulty of generating converged conformational ensembles of non-trivial model proteins using the popular replica exchange sampling technique. Here, we leverage improved sampling efficiency of a newly developed multi-scale enhanced sampling technique to re-optimize the generalized-Born with molecular volume (GBMV2) implicit solvent model with the CHARMM36 protein force field. Recursive optimization of key GBMV2 parameters (such as input radii) and protein torsion profiles (via the CMAP torsion cross terms) has led to a more balanced GBMV2 protein force field that recapitulates the structures and stabilities of both helical and β-hairpin model peptides. Importantly, this force field appears to be free of the over-compaction bias, and can generate structural ensembles of several intrinsically disordered proteins of various lengths that seem highly consistent with available experimental data. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Effect of Discontinuities and Uncertainties on the Response and Failure of Composite Structures

NASA Technical Reports Server (NTRS)

Noor, Ahmed K.; Perry, Ferman W.; Poteat, Marcia M. (Technical Monitor)

2000-01-01

The overall goal of this research was to assess the effect of discontinuities and uncertainties on the nonlinear response and failure of composite structures subjected to combined mechanical and thermal loads. The four key elements of the study were: (1) development of simple and efficient procedures for the accurate determination of transverse shear and transverse normal stresses in structural sandwiches as well as in unstiffened and stiffened composite panels and shells; (2) study the effects of transverse stresses on the response, damage initiation and propagation in composite and sandwich structures; (3) use of hierarchical sensitivity coefficients to identify the major parameters that affect the response and damage in each of the different levels in the hierarchy (micro-mechanical, layer, panel, subcomponent and component levels); and (4) application of fuzzy set techniques to identify the range and variation of possible responses. The computational models developed were used in conjunction with experiments, to understand the physical phenomena associated with the nonlinear response and failure of composite and sandwich structures. A toolkit was developed for use in conjunction with deterministic analysis programs to help the designer in assessing the effect of uncertainties in the different computational model parameters on the variability of the response quantities.

On an efficient multilevel inverter assembly: structural savings and design optimisations

NASA Astrophysics Data System (ADS)

Choupan, Reza; Nazarpour, Daryoush; Golshannavaz, Sajjad

2018-01-01

This study puts forward an efficient unit cell to be taken in use in multilevel inverter assemblies. The proposed structure is in line with reductions in number of direct current (dc) voltage sources, insulated-gate bipolar transistors (IGBTs), gate driver circuits, installation area, and hence the implementation costs. Such structural savings do not sacrifice the technical performance of the proposed design wherein an increased number of output voltage levels is attained, interestingly. Targeting a techno-economic characteristic, the contemplated structure is included as the key unit of cascaded multilevel inverters. Such extensions require development of applicable design procedures. To this end, two efficient strategies are elaborated to determine the magnitudes of input dc voltage sources. As well, an optimisation process is developed to explore the optimal allocation of different parameters in overall performance of the proposed inverter. These parameters are investigated as the number of IGBTs, dc sources, diodes, and overall blocked voltage on switches. In the lights of these characteristics, a comprehensive analysis is established to compare the proposed design with the conventional and recently developed structures. Detailed simulation and experimental studies are conducted to assess the performance of the proposed design. The obtained results are discussed in depth.

Development of a composite geodetic structure for space construction, phase 2

NASA Technical Reports Server (NTRS)

1981-01-01

Primary physical and mechanical properties were defined for pultruded hybrid HMS/E-glass P1700 rod material used for the fabrication of geodetic beams. Key properties established were used in the analysis, design, fabrication, instrumentation, and testing of a geodetic parameter cylinder and a lattice cone closeout joined to a short cylindrical geodetic beam segment. Requirements of structural techniques were accomplished. Analytical procedures were refined and extended to include the effect of rod dimensions for the helical and longitudinal members on local buckling, and the effect of different flexural and extensional moduli on general instability buckling.

Tapered slot antenna design for vehicular GPR applications

NASA Astrophysics Data System (ADS)

Bıçak, Emrullah; Yeǧin, Korkut; Nazlı, Hakki; Daǧ, Mahmut

2014-05-01

Vehicular applications of UWB GPR demand multiple GPR sensors operating in a harsh environment. One of the key elements of in the sensor is its UWB antenna which has minimal inter-element coupling, low group delay, high directivity and less prone to environmental conditions. Tapered slot antennas (TSA's) provide good impedance match, but they need to be modified for above specifications. Parasitic slot loaded TSA with balanced feed is proposed and a multi-channel antenna array structure is formed. Structural parameters are numerically analyzed and a prototype is built. Measurements show good performance for UWB GPR applications.

Dynamic loading and stress life analysis of permanent space station modules

NASA Astrophysics Data System (ADS)

Anisimov, A. V.; Krokhin, I. A.; Likhoded, A. I.; Malinin, A. A.; Panichkin, N. G.; Sidorov, V. V.; Titov, V. A.

2016-11-01

Some methodological approaches to solving several key problems of dynamic loading and structural strength analysis of Permanent Space Station (PSS)modules developed on the basis of the working experience of Soviet and Russian PSS and the International Space station (ISS) are presented. The solutions of the direct and semi-inverse problems of PSS structure dynamics are mathematically stated. Special attention is paid to the use of the results of ground structural strength tests of space station modules and the data on the actual flight actions on the station and its dynamic responses in the orbital operation regime. The procedure of determining the dynamics and operation life parameters of elements of the PSS modules is described.

Particle agglomerated 3-d nanostructures for photon absorption

NASA Astrophysics Data System (ADS)

Sivayoganathan, Mugunthan

The main objective of this thesis is to investigate the photon absorption properties of particle agglomerated 3-D structures that are synthesized through femtosecond laser ablation of solids. The size and morphology of these particle agglomerated 3-D structures, which can be tailored through adjusting laser parameters, determine the photon absorption property. A systematic theoretical and experimental study was performed to identify the effect of lasers on the size of the formed particles. The literature survey showed that the amount of supersaturation influences the growth rate as well as the nucleation rate of vapour condensed nanoparticles. Based on this theory, a mechanism was formed to explain the control of laser parameters over the size of formed particles. Further, a theoretical explanation was proposed from the experimental results for the transition of particle size distribution modals. These proposed mechanisms and explanations show the variation in particle size in the particle agglomerated 3-D nanostructures with laser parameters. The effect of laser parameters on the formed ring size was studied. Based on the previous studies, a mechanism was proposed for the formation of ring nanoclusters. The laser pulse intensity dependent ponderomotive force was the key force to define the formation of ring nanoclusters. Then the effect of laser parameters on ring size was studied. Structures fabricated on several materials such as graphite, aluminosilicate ceramic, zinc ingot, gold, and titanium were analyzed to show the influence of material properties, laser parameters, and the environmental conditions on the size of ring formed. The studies performed on the structures showed a minimum absorption of 0.75 A.U. in the bandwidth from UV to IR. The absorption spectrum is much wider compared to existing nanomaterials, such as silicon nanostructures and titanium dioxide nanostructures. To the best of the author's knowledge, it is a very competitive absorption rate when compared with the previous nanostructures used in photovoltaic conversion. Several features of nanostructures contribute to the enhancement of this light absorption. The special feature of the structure is that ease to fabricate and modify the properties by varying the laser parameters could make it competitive among other nanostructures available for solar cells.

Precisely Tailored DNA Nanostructures and their Theranostic Applications.

PubMed

Zhu, Bing; Wang, Lihua; Li, Jiang; Fan, Chunhai

2017-12-01

A critical challenge in nanotechnology is the limited precision and controllability of the structural parameters, which brings about concerns in uniformity, reproducibility and performance. Self-assembled DNA nanostructures, as a newly emerged type of nano-biomaterials, possess low-nanometer precision, excellent programmability and addressability. They can precisely arrange various molecules and materials to form spatially ordered complex, resulting in unambiguous physical or chemical properties. Because of these, DNA nanostructures have shown great promise in numerous biomedical theranostic applications. In this account, we briefly review the history and advances on construction of DNA nanoarchitectures and superstructures with accurate structural parameters. We focus on recent progress in exploiting these DNA nanostructures as platforms for quantitative biosensing, intracellular diagnosis, imaging, and smart drug delivery. We also discuss key challenges in practical applications. © 2017 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Stacking faults density driven collapse of magnetic energy in hcp-cobalt nano-magnets

NASA Astrophysics Data System (ADS)

Nong, H. T. T.; Mrad, K.; Schoenstein, F.; Piquemal, J.-Y.; Jouini, N.; Leridon, B.; Mercone, S.

2017-06-01

Cobalt nanowires with different shape parameters were synthesized via the polyol process. By calculating the magnetic energy product (BH max) both for dried nano-powder and for nanowires in their synthesis solution, we observed unexpected independent BH max values from the nanowires shape. A good alignment of the nanowires leads to a higher BH max value. Our results show that the key parameter driving the magnetic energy product of the cobalt nanowires is the stacking fault density. An exponential collapse of the magnetic energy is observed at very low percentage of structural faults. Cobalt nanowires with almost perfect hcp crystalline structures should present high magnetic energy, which is promising for application in rare earth-free permanent magnets. Oral talk at 8th International Workshop on Advanced Materials Science and Nanotechnology (IWAMSN2016), 8-12 November 2016, Ha Long City, Vietnam.

Optimization of a growth process for as-grown 2D materials-based devices

NASA Astrophysics Data System (ADS)

Lindquist, Miles; Khadka, Sudiksha; Aleithan, Shrouq; Blumer, Ari; Wickramasinghe, Thushan; Thorat, Ruhi; Kordesch, Martin; Stinaff, Eric

We will present the effects of varying key parameters of a deterministic growth method for producing self-contacted 2D transition metal dichalcogenides. Chemical vapor deposition is used to grow a film of 2D material nucleated around and seeded from metallic features prepared by photolithography and sputtering on a Si/SiO2 substrate prior to growth. We will focus on a particular method of growing variable MoS2 based device structures. The goal of this work is to arrive at robust platform for growing a variety of device structures by systematically altering parameters such as the amount of reactants used, the heat of the substrate and oxide powder, and the flow rate of argon gas used. These results will help advance a comprehensive process for the scalable production of as-grown, complex, 2D materials-based device architectures.

Ionization asymmetry effects on the properties modulation of atmospheric pressure dielectric barrier discharge sustained by tailored voltage waveforms

NASA Astrophysics Data System (ADS)

Zhang, Z. L.; Nie, Q. Y.; Zhang, X. N.; Wang, Z. B.; Kong, F. R.; Jiang, B. H.; Lim, J. W. M.

2018-04-01

The dielectric barrier discharge (DBD) is a promising technology to generate high density and uniform cold plasmas in atmospheric pressure gases. The effective independent tuning of key plasma parameters is quite important for both application-focused and fundamental studies. In this paper, based on a one-dimensional fluid model with semi-kinetics treatment, numerical studies of ionization asymmetry effects on the properties modulation of atmospheric DBD sustained by tailored voltage waveforms are reported. The driving voltage waveform is characterized by an asymmetric-slope fundamental sinusoidal radio frequency signal superimposing one or more harmonics, and the effects of the number of harmonics, phase shift, as well as the fluctuation of harmonics on the sheath dynamics, impact ionization of electrons and key plasma parameters are investigated. The results have shown that the electron density can exhibit a substantial increase due to the effective electron heating by a spatially asymmetric sheath structure. The strategic modulation of harmonics number and phase shift is capable of raising the electron density significantly (e.g., nearly three times in this case), but without a significant increase in the gas temperature. Moreover, by tailoring the fluctuation of harmonics with a steeper slope, a more profound efficiency in electron impact ionization can be achieved, and thus enhancing the electron density effectively. This method then enables a novel alternative approach to realize the independent control of the key plasma parameters under atmospheric pressure.

Utilizing a one-dimensional multispecies model to simulate the nutrient reduction and biomass structure in two types of H2-based membrane-aeration biofilm reactors (H2-MBfR): model development and parametric analysis.

PubMed

Wang, Zuowei; Xia, Siqing; Xu, Xiaoyin; Wang, Chenhui

2016-02-01

In this study, a one-dimensional multispecies model (ODMSM) was utilized to simulate NO3(-)-N and ClO4(-) reduction performances in two kinds of H2-based membrane-aeration biofilm reactors (H2-MBfR) within different operating conditions (e.g., NO3(-)-N/ClO4(-) loading rates, H2 partial pressure, etc.). Before the simulation process, we conducted the sensitivity analysis of some key parameters which would fluctuate in different environmental conditions, then we used the experimental data to calibrate the more sensitive parameters μ1 and μ2 (maximum specific growth rates of denitrification bacteria and perchlorate reduction bacteria) in two H2-MBfRs, and the diversity of the two key parameters' values in two types of reactors may be resulted from the different carbon source fed in the reactors. From the simulation results of six different operating conditions (four in H2-MBfR 1 and two in H2-MBfR 2), the applicability of the model was approved, and the variation of the removal tendency in different operating conditions could be well simulated. Besides, the rationality of operating parameters (H2 partial pressure, etc.) could be judged especially in condition of high nutrients' loading rates. To a certain degree, the model could provide theoretical guidance to determine the operating parameters on some specific conditions in practical application.

Parameter Estimation with Almost No Public Communication for Continuous-Variable Quantum Key Distribution

NASA Astrophysics Data System (ADS)

Lupo, Cosmo; Ottaviani, Carlo; Papanastasiou, Panagiotis; Pirandola, Stefano

2018-06-01

One crucial step in any quantum key distribution (QKD) scheme is parameter estimation. In a typical QKD protocol the users have to sacrifice part of their raw data to estimate the parameters of the communication channel as, for example, the error rate. This introduces a trade-off between the secret key rate and the accuracy of parameter estimation in the finite-size regime. Here we show that continuous-variable QKD is not subject to this constraint as the whole raw keys can be used for both parameter estimation and secret key generation, without compromising the security. First, we show that this property holds for measurement-device-independent (MDI) protocols, as a consequence of the fact that in a MDI protocol the correlations between Alice and Bob are postselected by the measurement performed by an untrusted relay. This result is then extended beyond the MDI framework by exploiting the fact that MDI protocols can simulate device-dependent one-way QKD with arbitrarily high precision.

Modelling rapid flow response of a tile drained hillslope with explicit representation of preferential flow paths and consideration of equifinal model structures

NASA Astrophysics Data System (ADS)

Klaus, Julian; Zehe, Erwin

2010-05-01

Rapid water flow along spatially connected - often biologically mediated - flow paths of minimum flow resistance is widely acknowledged to play a key role in runoff generation at the hillslope and small catchment scales but also in the transport of solutes like agro chemicals and nutrients in cohesive soils. Especially at tile drained fields site connected vertical flow structures such as worm burrows, roots or shrinkage cracks act as short cuts allowing water flow to bypass the soil matrix. In the present study we propose a spatially explicit approach to represent worm burrows as connected structures of high conductivity and low retention capacity in a 2D physically model. With this approach tile drain discharge and preferential flow patterns in soil observed during the irrigation of a tile drained hillslope in the Weiherbach catchment were modelled. The model parameters derived from measurements and are considered to be uncertain. Given this uncertainty of key factors that organise flow and transport at tile drained sites the main objectives of the present studies are to shed light on the following three questions: 1. Does a simplified approach that explicitly represents worm burrows as continuous flow paths of small flow resistance and low retention properties in a 2D physically model allow successful reproduction of event flow response at a tile drained field site in the Weiherbach catchment? 2. Does the above described uncertainty in key factors cause equifinality i.e. are there several model structural setups that reproduce event flow response in an acceptable manner without compromising our physical understanding of the system? 3. If so, what are the key factors that have to be known at high accuracy to reduce the equifinality of model structures? The issue of equifinality is usually discussed in catchment modelling to indicate that often a large set of conceptual model parameter sets allows acceptable reproduction of the behaviour of the system of interest - in many cases catchment stream flow response. Beven and Binley (1992) suggest that these model structures should be considered to be equally likely to account for predictive uncertainty. In this study we show that the above outline approach allows successful prediction of the tile drain discharge and preferential flow patterns in soil observed during the irrigation of a tile drained hillslope in the Weiherbach catchment flow event. Strikingly we a found a considerable equifinality in the model structural setup, when key parameters such as the area density of worm burrows, their hydraulic conductivity and the conductivity of the tile drains were varied within the ranges of either our measurements or measurements reported in the literature. Thirteen different model setups yielded a normalised time-shifted Nash-Sutcliffe of more than 0.9, which means that more than 90% of the flow variability is explained by the model. Also the flow volumes were in good accordance and timing errors were less or equal than 20 min (which corresponds to two simulation output time steps). It is elaborated that this uncertainty/equifinality could be reduced when more precise data on initial states of the subsurface and on the drainage area of a single drainage tube could be made available. However, such data are currently most difficult to assess even at very well investigated site as the one that is dealt with here. We thus suggest non uniqueness of process based model structures seems thus to be an important factor causing predictive uncertainty at many sites where preferential flow dominates systems response. References Beven, K.J. and Binley, A.M., 1992. The future of distributed models: model calibration and uncertainty prediction, Hydrological Processes, 6, p.279-298.

Assessing Local Structure Motifs Using Order Parameters for Motif Recognition, Interstitial Identification, and Diffusion Path Characterization

DOE PAGES

Zimmermann, Nils E. R.; Horton, Matthew K.; Jain, Anubhav; ...

2017-11-13

Structure–property relationships form the basis of many design rules in materials science, including synthesizability and long-term stability of catalysts, control of electrical and optoelectronic behavior in semiconductors, as well as the capacity of and transport properties in cathode materials for rechargeable batteries. The immediate atomic environments (i.e., the first coordination shells) of a few atomic sites are often a key factor in achieving a desired property. Some of the most frequently encountered coordination patterns are tetrahedra, octahedra, body and face-centered cubic as well as hexagonal close packed-like environments. Here, we showcase the usefulness of local order parameters to identify thesemore » basic structural motifs in inorganic solid materials by developing classification criteria. We introduce a systematic testing framework, the Einstein crystal test rig, that probes the response of order parameters to distortions in perfect motifs to validate our approach. Subsequently, we highlight three important application cases. First, we map basic crystal structure information of a large materials database in an intuitive manner by screening the Materials Project (MP) database (61,422 compounds) for element-specific motif distributions. Second, we use the structure-motif recognition capabilities to automatically find interstitials in metals, semiconductor, and insulator materials. Our Interstitialcy Finding Tool (InFiT) facilitates high-throughput screenings of defect properties. Third, the order parameters are reliable and compact quantitative structure descriptors for characterizing diffusion hops of intercalants as our example of magnesium in MnO 2-spinel indicates. Finally, the tools developed in our work are readily and freely available as software implementations in the pymatgen library, and we expect them to be further applied to machine-learning approaches for emerging applications in materials science.« less

Assessing Local Structure Motifs Using Order Parameters for Motif Recognition, Interstitial Identification, and Diffusion Path Characterization

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

Zimmermann, Nils E. R.; Horton, Matthew K.; Jain, Anubhav

Structure–property relationships form the basis of many design rules in materials science, including synthesizability and long-term stability of catalysts, control of electrical and optoelectronic behavior in semiconductors, as well as the capacity of and transport properties in cathode materials for rechargeable batteries. The immediate atomic environments (i.e., the first coordination shells) of a few atomic sites are often a key factor in achieving a desired property. Some of the most frequently encountered coordination patterns are tetrahedra, octahedra, body and face-centered cubic as well as hexagonal close packed-like environments. Here, we showcase the usefulness of local order parameters to identify thesemore » basic structural motifs in inorganic solid materials by developing classification criteria. We introduce a systematic testing framework, the Einstein crystal test rig, that probes the response of order parameters to distortions in perfect motifs to validate our approach. Subsequently, we highlight three important application cases. First, we map basic crystal structure information of a large materials database in an intuitive manner by screening the Materials Project (MP) database (61,422 compounds) for element-specific motif distributions. Second, we use the structure-motif recognition capabilities to automatically find interstitials in metals, semiconductor, and insulator materials. Our Interstitialcy Finding Tool (InFiT) facilitates high-throughput screenings of defect properties. Third, the order parameters are reliable and compact quantitative structure descriptors for characterizing diffusion hops of intercalants as our example of magnesium in MnO 2-spinel indicates. Finally, the tools developed in our work are readily and freely available as software implementations in the pymatgen library, and we expect them to be further applied to machine-learning approaches for emerging applications in materials science.« less

Non-invasive imaging of the crystalline structure within a human tooth.

PubMed

Egan, Christopher K; Jacques, Simon D M; Di Michiel, Marco; Cai, Biao; Zandbergen, Mathijs W; Lee, Peter D; Beale, Andrew M; Cernik, Robert J

2013-09-01

The internal crystalline structure of a human molar tooth has been non-destructively imaged in cross-section using X-ray diffraction computed tomography. Diffraction signals from high-energy X-rays which have large attenuation lengths for hard biomaterials have been collected in a transmission geometry. Coupling this with a computed tomography data acquisition and mathematically reconstructing their spatial origins, diffraction patterns from every voxel within the tooth can be obtained. Using this method we have observed the spatial variations of some key material parameters including nanocrystallite size, organic content, lattice parameters, crystallographic preferred orientation and degree of orientation. We have also made a link between the spatial variations of the unit cell lattice parameters and the chemical make-up of the tooth. In addition, we have determined how the onset of tooth decay occurs through clear amorphization of the hydroxyapatite crystal, and we have been able to map the extent of decay within the tooth. The described method has strong prospects for non-destructive probing of mineralized biomaterials. Copyright © 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Estimation of Unsteady Aerodynamic Models from Dynamic Wind Tunnel Data

NASA Technical Reports Server (NTRS)

Murphy, Patrick; Klein, Vladislav

2011-01-01

Demanding aerodynamic modelling requirements for military and civilian aircraft have motivated researchers to improve computational and experimental techniques and to pursue closer collaboration in these areas. Model identification and validation techniques are key components for this research. This paper presents mathematical model structures and identification techniques that have been used successfully to model more general aerodynamic behaviours in single-degree-of-freedom dynamic testing. Model parameters, characterizing aerodynamic properties, are estimated using linear and nonlinear regression methods in both time and frequency domains. Steps in identification including model structure determination, parameter estimation, and model validation, are addressed in this paper with examples using data from one-degree-of-freedom dynamic wind tunnel and water tunnel experiments. These techniques offer a methodology for expanding the utility of computational methods in application to flight dynamics, stability, and control problems. Since flight test is not always an option for early model validation, time history comparisons are commonly made between computational and experimental results and model adequacy is inferred by corroborating results. An extension is offered to this conventional approach where more general model parameter estimates and their standard errors are compared.

Determination of protein secondary structure and solvent accessibility using site-directed fluorescence labeling. Studies of T4 lysozyme using the fluorescent probe monobromobimane.

PubMed

Mansoor, S E; McHaourab, H S; Farrens, D L

1999-12-07

We report an investigation of how much protein structural information could be obtained using a site-directed fluorescence labeling (SDFL) strategy. In our experiments, we used 21 consecutive single-cysteine substitution mutants in T4 lysozyme (residues T115-K135), located in a helix-turn-helix motif. The mutants were labeled with the fluorescent probe monobromobimane and subjected to an array of fluorescence measurements. Thermal stability measurements show that introduction of the label is substantially perturbing only when it is located at buried residue sites. At buried sites (solvent surface accessibility of <40 A(2)), the destabilizations are between 3 and 5.5 kcal/mol, whereas at more exposed sites, DeltaDeltaG values of < or = 1.5 kcal/mol are obtained. Of all the fluorescence parameters that were explored (excitation lambda(max), emission lambda(max), fluorescence lifetime, quantum yield, and steady-state anisotropy), the emission lambda(max) and the steady-state anisotropy values most accurately reflect the solvent surface accessibility at each site as calculated from the crystal structure of cysteine-less T4 lysozyme. The parameters we identify allow the classification of each site as buried, partially buried, or exposed. We find that the variations in these parameters as a function of residue number reflect the sequence-specific secondary structure, the determination of which is a key step for modeling a protein of unknown structure.

Partitioning and lipophilicity in quantitative structure-activity relationships.

PubMed Central

Dearden, J C

1985-01-01

The history of the relationship of biological activity to partition coefficient and related properties is briefly reviewed. The dominance of partition coefficient in quantitation of structure-activity relationships is emphasized, although the importance of other factors is also demonstrated. Various mathematical models of in vivo transport and binding are discussed; most of these involve partitioning as the primary mechanism of transport. The models describe observed quantitative structure-activity relationships (QSARs) well on the whole, confirming that partitioning is of key importance in in vivo behavior of a xenobiotic. The partition coefficient is shown to correlate with numerous other parameters representing bulk, such as molecular weight, volume and surface area, parachor and calculated indices such as molecular connectivity; this is especially so for apolar molecules, because for polar molecules lipophilicity factors into both bulk and polar or hydrogen bonding components. The relationship of partition coefficient to chromatographic parameters is discussed, and it is shown that such parameters, which are often readily obtainable experimentally, can successfully supplant partition coefficient in QSARs. The relationship of aqueous solubility with partition coefficient is examined in detail. Correlations are observed, even with solid compounds, and these can be used to predict solubility. The additive/constitutive nature of partition coefficient is discussed extensively, as are the available schemes for the calculation of partition coefficient. Finally the use of partition coefficient to provide structural information is considered. It is shown that partition coefficient can be a valuable structural tool, especially if the enthalpy and entropy of partitioning are available. PMID:3905374

The structure and dynamics in solution of Cu(I) pseudoazurin from Paracoccus pantotrophus.

PubMed Central

Thompson, G. S.; Leung, Y. C.; Ferguson, S. J.; Radford, S. E.; Redfield, C.

2000-01-01

The solution structure and backbone dynamics of Cu(I) pseudoazurin, a 123 amino acid electron transfer protein from Paracoccus pantotrophus, have been determined using NMR methods. The structure was calculated to high precision, with a backbone RMS deviation for secondary structure elements of 0.35+/-0.06 A, using 1,498 distance and 55 torsion angle constraints. The protein has a double-wound Greek-key fold with two alpha-helices toward its C-terminus, similar to that of its oxidized counterpart determined by X-ray crystallography. Comparison of the Cu(I) solution structure with the X-ray structure of the Cu(II) protein shows only small differences in the positions of some of the secondary structure elements. Order parameters S2, measured for amide nitrogens, indicate that the backbone of the protein is rigid on the picosecond to nanosecond timescale. PMID:10850794

Image security based on iterative random phase encoding in expanded fractional Fourier transform domains

NASA Astrophysics Data System (ADS)

Liu, Zhengjun; Chen, Hang; Blondel, Walter; Shen, Zhenmin; Liu, Shutian

2018-06-01

A novel image encryption method is proposed by using the expanded fractional Fourier transform, which is implemented with a pair of lenses. Here the centers of two lenses are separated at the cross section of axis in optical system. The encryption system is addressed with Fresnel diffraction and phase modulation for the calculation of information transmission. The iterative process with the transform unit is utilized for hiding secret image. The structure parameters of a battery of lenses can be used for additional keys. The performance of encryption method is analyzed theoretically and digitally. The results show that the security of this algorithm is enhanced markedly by the added keys.

Reconstruction method for data protection in telemedicine systems

NASA Astrophysics Data System (ADS)

Buldakova, T. I.; Suyatinov, S. I.

2015-03-01

In the report the approach to protection of transmitted data by creation of pair symmetric keys for the sensor and the receiver is offered. Since biosignals are unique for each person, their corresponding processing allows to receive necessary information for creation of cryptographic keys. Processing is based on reconstruction of the mathematical model generating time series that are diagnostically equivalent to initial biosignals. Information about the model is transmitted to the receiver, where the restoration of physiological time series is performed using the reconstructed model. Thus, information about structure and parameters of biosystem model received in the reconstruction process can be used not only for its diagnostics, but also for protection of transmitted data in telemedicine complexes.

Optimization design and laser damage threshold analysis of pulse compression multilayer dielectric gratings

NASA Astrophysics Data System (ADS)

Fan, Shuwei; Bai, Liang; Chen, Nana

2016-08-01

As one of the key elements of high-power laser systems, the pulse compression multilayer dielectric grating is required for broader band, higher diffraction efficiency and higher damage threshold. In this paper, the multilayer dielectric film and the multilayer dielectric gratings(MDG) were designed by eigen matrix and optimized with the help of generic algorithm and rigorous coupled wave method. The reflectivity was close to 100% and the bandwith were over 250nm, twice compared to the unoptimized film structure. The simulation software of standing wave field distribution within MDG was developed and the electric field of the MDG was calculated. And the key parameters which affected the electric field distribution were also studied.

Comparison of three‐dimensional analysis and stereological techniques for quantifying lithium‐ion battery electrode microstructures

PubMed Central

TAIWO, OLUWADAMILOLA O.; FINEGAN, DONAL P.; EASTWOOD, DAVID S.; FIFE, JULIE L.; BROWN, LEON D.; DARR, JAWWAD A.; LEE, PETER D.; BRETT, DANIEL J.L.

2016-01-01

Summary Lithium‐ion battery performance is intrinsically linked to electrode microstructure. Quantitative measurement of key structural parameters of lithium‐ion battery electrode microstructures will enable optimization as well as motivate systematic numerical studies for the improvement of battery performance. With the rapid development of 3‐D imaging techniques, quantitative assessment of 3‐D microstructures from 2‐D image sections by stereological methods appears outmoded; however, in spite of the proliferation of tomographic imaging techniques, it remains significantly easier to obtain two‐dimensional (2‐D) data sets. In this study, stereological prediction and three‐dimensional (3‐D) analysis techniques for quantitative assessment of key geometric parameters for characterizing battery electrode microstructures are examined and compared. Lithium‐ion battery electrodes were imaged using synchrotron‐based X‐ray tomographic microscopy. For each electrode sample investigated, stereological analysis was performed on reconstructed 2‐D image sections generated from tomographic imaging, whereas direct 3‐D analysis was performed on reconstructed image volumes. The analysis showed that geometric parameter estimation using 2‐D image sections is bound to be associated with ambiguity and that volume‐based 3‐D characterization of nonconvex, irregular and interconnected particles can be used to more accurately quantify spatially‐dependent parameters, such as tortuosity and pore‐phase connectivity. PMID:26999804

Comparison of three-dimensional analysis and stereological techniques for quantifying lithium-ion battery electrode microstructures.

PubMed

Taiwo, Oluwadamilola O; Finegan, Donal P; Eastwood, David S; Fife, Julie L; Brown, Leon D; Darr, Jawwad A; Lee, Peter D; Brett, Daniel J L; Shearing, Paul R

2016-09-01

Lithium-ion battery performance is intrinsically linked to electrode microstructure. Quantitative measurement of key structural parameters of lithium-ion battery electrode microstructures will enable optimization as well as motivate systematic numerical studies for the improvement of battery performance. With the rapid development of 3-D imaging techniques, quantitative assessment of 3-D microstructures from 2-D image sections by stereological methods appears outmoded; however, in spite of the proliferation of tomographic imaging techniques, it remains significantly easier to obtain two-dimensional (2-D) data sets. In this study, stereological prediction and three-dimensional (3-D) analysis techniques for quantitative assessment of key geometric parameters for characterizing battery electrode microstructures are examined and compared. Lithium-ion battery electrodes were imaged using synchrotron-based X-ray tomographic microscopy. For each electrode sample investigated, stereological analysis was performed on reconstructed 2-D image sections generated from tomographic imaging, whereas direct 3-D analysis was performed on reconstructed image volumes. The analysis showed that geometric parameter estimation using 2-D image sections is bound to be associated with ambiguity and that volume-based 3-D characterization of nonconvex, irregular and interconnected particles can be used to more accurately quantify spatially-dependent parameters, such as tortuosity and pore-phase connectivity. © 2016 The Authors. Journal of Microscopy published by John Wiley & Sons Ltd on behalf of Royal Microscopical Society.

Biomineralized 3-D Nanoparticle Assemblies with Micro-to-Nanoscale Features and Tailored Chemistries

DTIC Science & Technology

2008-01-07

protuberances on the pollen surface were well preserved after conversion. This hybrid approach may be applied to a variety of bio-organic templates, which are...replicas were found to be rapid, low voltage, minimally-invasive sensors of NO(g) and to exhibit photoluminescence . The kinetics of magnesiothermic...silica- organic hybrid structures via biomimetic silicification has been demonstrated. The effects of two key parameters, the polyamine content and

Discrete Event Simulation Modeling and Analysis of Key Leader Engagements

DTIC Science & Technology

2012-06-01

to offer. GreenPlayer agents require four parameters, pC, pKLK, pTK, and pRK , which give probabilities for being corrupt, having key leader...HandleMessageRequest component. The same parameter constraints apply to these four parameters. The parameter pRK is the same parameter from the CreatePlayers component...whether the local Green player has resource critical knowledge by using the parameter pRK . It schedules an EndResourceKnowledgeRequest event, passing

Understanding identifiability as a crucial step in uncertainty assessment

NASA Astrophysics Data System (ADS)

Jakeman, A. J.; Guillaume, J. H. A.; Hill, M. C.; Seo, L.

2016-12-01

The topic of identifiability analysis offers concepts and approaches to identify why unique model parameter values cannot be identified, and can suggest possible responses that either increase uniqueness or help to understand the effect of non-uniqueness on predictions. Identifiability analysis typically involves evaluation of the model equations and the parameter estimation process. Non-identifiability can have a number of undesirable effects. In terms of model parameters these effects include: parameters not being estimated uniquely even with ideal data; wildly different values being returned for different initialisations of a parameter optimisation algorithm; and parameters not being physically meaningful in a model attempting to represent a process. This presentation illustrates some of the drastic consequences of ignoring model identifiability analysis. It argues for a more cogent framework and use of identifiability analysis as a way of understanding model limitations and systematically learning about sources of uncertainty and their importance. The presentation specifically distinguishes between five sources of parameter non-uniqueness (and hence uncertainty) within the modelling process, pragmatically capturing key distinctions within existing identifiability literature. It enumerates many of the various approaches discussed in the literature. Admittedly, improving identifiability is often non-trivial. It requires thorough understanding of the cause of non-identifiability, and the time, knowledge and resources to collect or select new data, modify model structures or objective functions, or improve conditioning. But ignoring these problems is not a viable solution. Even simple approaches such as fixing parameter values or naively using a different model structure may have significant impacts on results which are too often overlooked because identifiability analysis is neglected.

Global Low Frequency Protein Motions in Long-Range Allosteric Signaling

NASA Astrophysics Data System (ADS)

McLeish, Tom; Rogers, Thomas; Townsend, Philip; Burnell, David; Pohl, Ehmke; Wilson, Mark; Cann, Martin; Richards, Shane; Jones, Matthew

2015-03-01

We present a foundational theory for how allostery can occur as a function of low frequency dynamics without a change in protein structure. Elastic inhomogeneities allow entropic ``signalling at a distance.'' Remarkably, many globular proteins display just this class of elastic structure, in particular those that support allosteric binding of substrates (long-range co-operative effects between the binding sites of small molecules). Through multi-scale modelling of global normal modes we demonstrate negative co-operativity between the two cAMP ligands without change to the mean structure. Crucially, the value of the co-operativity is itself controlled by the interactions around a set of third allosteric ``control sites.'' The theory makes key experimental predictions, validated by analysis of variant proteins by a combination of structural biology and isothermal calorimetry. A quantitative description of allostery as a free energy landscape revealed a protein ``design space'' that identified the key inter- and intramolecular regulatory parameters that frame CRP/FNR family allostery. Furthermore, by analyzing naturally occurring CAP variants from diverse species, we demonstrate an evolutionary selection pressure to conserve residues crucial for allosteric control. The methodology establishes the means to engineer allosteric mechanisms that are driven by low frequency dynamics.

Evaluating Vertical Moisture Structure of the Madden-Julian Oscillation in Contemporary GCMs

NASA Astrophysics Data System (ADS)

Guan, B.; Jiang, X.; Waliser, D. E.

2013-12-01

The Madden-Julian Oscillation (MJO) remains a major challenge in our understanding and modeling of the tropical convection and circulation. Many models have troubles in realistically simulating key characteristics of the MJO, such as the strength, period, and eastward propagation. For models that do simulate aspects of the MJO, it remains to be understood what parameters and processes are the most critical in determining the quality of the simulations. This study focuses on the vertical structure of moisture in MJO simulations, with the aim to identify and understand the relationship between MJO simulation qualities and key parameters related to moisture. A series of 20-year simulations conducted by 26 GCMs are analyzed, including four that are coupled to ocean models and two that have a two-dimensional cloud resolving model embedded (i.e., superparameterized). TRMM precipitation and ERA-Interim reanalysis are used to evaluate the model simulations. MJO simulation qualities are evaluated based on pattern correlations of lead/lag regressions of precipitation - a measure of the model representation of the eastward propagating MJO convection. Models with strongest and weakest MJOs (top and bottom quartiles) are compared in terms of differences in moisture content, moisture convergence, moistening rate, and moist static energy. It is found that models with strongest MJOs have better representations of the observed vertical tilt of moisture. Relative importance of convection, advection, boundary layer, and large scale convection/precipitation are discussed in terms of their contribution to the moistening process. The results highlight the overall importance of vertical moisture structure in MJO simulations. The work contributes to the climatological component of the joint WCRP-WWRP/THORPEX YOTC MJO Task Force and the GEWEX Atmosphere System Study (GASS) global model evaluation project focused on the vertical structure and diabatic processes of the MJO.

The effects of surfactant on the structure of ZnCr2O4 dendrimer like nanostructures used in degradation of Eriochrome Black T

NASA Astrophysics Data System (ADS)

Sabet, Mohammad; Jahangiri, Hasan

2018-01-01

In this experimental work, we synthesized ZnCr2O4 nano dendrimer-like structures via a simple hydrothermal method. Different parameters such as the reaction time and temperature and the surfactant kind were changed to obtain different particle sizes and morphologies. Scanning electron microscopy was utilized to obtain the products morphologies. The results showed the product is mainly composed of dendrimer-like structures. Also, it was found the mentioned parameters had significant effects on the product sizes and morphologies. Furthermore, it was found key parameters that determine the morphology of the product is surfactant type and each surfactant creates a unique morphology. The crystallinity and crystallite size were studied by x-ray diffraction pattern. Also, the composition of the product was determined by energy dispersive x-ray analysis. Diffuse reflectance spectroscopy (DRS) was used to the investigation of the optical properties of the product. The results obtained from DRS spectra showed the product has about 3.3 eV band gap. The photocatalytic activity of the product showed that ZnCr2O4 has a significant photocatalytic activity and it can decompose Eriochrome Black T about 91% under ultra violet radiation.

Estimation of Melting Points of Organics.

PubMed

Yalkowsky, Samuel H; Alantary, Doaa

2018-05-01

Unified physicochemical property estimation relationships is a system of empirical and theoretical relationships that relate 20 physicochemical properties of organic molecules to each other and to chemical structure. Melting point is a key parameter in the unified physicochemical property estimation relationships scheme because it is a determinant of several other properties including vapor pressure, and solubility. This review describes the first-principals calculation of the melting points of organic compounds from structure. The calculation is based on the fact that the melting point, T m , is equal to the ratio of the heat of melting, ΔH m , to the entropy of melting, ΔS m . The heat of melting is shown to be an additive constitutive property. However, the entropy of melting is not entirely group additive. It is primarily dependent on molecular geometry, including parameters which reflect the degree of restriction of molecular motion in the crystal to that of the liquid. Symmetry, eccentricity, chirality, flexibility, and hydrogen bonding, each affect molecular freedom in different ways and thus make different contributions to the total entropy of fusion. The relationships of these entropy determining parameters to chemical structure are used to develop a reasonably accurate means of predicting the melting points over 2000 compounds. Copyright © 2018 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Hierarchical Order Parameters for Macromolecular Assembly Simulations I: Construction and Dynamical Properties of Order Parameters

PubMed Central

Singharoy, Abhishek; Sereda, Yuriy

2012-01-01

Macromolecular assemblies often display a hierarchical organization of macromolecules or their sub-assemblies. To model this, we have formulated a space warping method that enables capturing overall macromolecular structure and dynamics via a set of coarse-grained order parameters (OPs). This article is the first of two describing the construction and computational implementation of an additional class of OPs that has built into them the hierarchical architecture of macromolecular assemblies. To accomplish this, first, the system is divided into subsystems, each of which is described via a representative set of OPs. Then, a global set of variables is constructed from these subsystem-centered OPs to capture overall system organization. Dynamical properties of the resulting OPs are compared to those of our previous nonhierarchical ones, and implied conceptual and computational advantages are discussed for a 100ns, 2 million atom solvated Human Papillomavirus-like particle simulation. In the second article, the hierarchical OPs are shown to enable a multiscale analysis that starts with the N-atom Liouville equation and yields rigorous Langevin equations of stochastic OP dynamics. The latter is demonstrated via a force-field based simulation algorithm that probes key structural transition pathways, simultaneously accounting for all-atom details and overall structure. PMID:22661911

Structural characterization and low-temperature properties of Ru/C multilayer monochromators with different periodic thicknesses.

PubMed

Jiang, Hui; He, Yan; He, Yumei; Li, Aiguo; Wang, Hua; Zheng, Yi; Dong, Zhaohui

2015-11-01

Ru/C multilayer monochromators with different periodic thicknesses were investigated using X-ray grazing-incidence reflectivity, diffuse scattering, Bragg imaging, morphology testing, etc. before and after cryogenic cooling. Quantitative analyses enabled the determination of the key multilayer structural parameters for samples with different periodic thicknesses, especially the influence from the ruthenium crystallization. The results also reveal that the basic structures and reflection performance keep stable after cryogenic cooling. The low-temperature treatment smoothed the surfaces and interfaces and changed the growth characteristic to a low-frequency surface figure. This study helps with the understanding of the structure evolution of multilayer monochromators during cryogenic cooling and presents sufficient experimental proof for using cryogenically cooled multilayer monochromators in a high-thermal-load undulator beamline.

Structural and morphological changes in supramolecular-structured polymer electrolyte membrane fuel cell on addition of phosphoric acid

NASA Astrophysics Data System (ADS)

Hendrana, S.; Pryliana, R. F.; Natanael, C. L.; Rahayu, I.

2018-03-01

Phosphoric acid is one agents used in membrane fuel cell to modify ionic conductivity. Therefore, its distribution in membrane is a key parameter to gain expected conductivity. Efforts have been made to distribute phosphoric acid in a supramolecular-structured membrane prepared with a matrix. To achieve even distribution across bulk of the membrane, the inclusion of the polyacid is carried out under pressurized chamber. Image of scanning electron microscopy (SEM) shows better phosphoric acid distribution for one prepared in pressurized state. It also leads in better performing in ionic conductivity. Moreover, data from differential scanning calorimetry (DSC) indicate that the addition of phosphoric acid is prominent in the change of membrane structure, while morphological changes are captured in SEM images.

Fat metaplasia and backfill are key intermediaries in the development of sacroiliac joint ankylosis in patients with ankylosing spondylitis.

PubMed

Maksymowych, Walter P; Wichuk, Stephanie; Chiowchanwisawakit, Praveena; Lambert, Robert G; Pedersen, Susanne J

2014-11-01

Fat metaplasia in bone marrow on T1-weighted magnetic resonance imaging (MRI) scans may develop after resolution of inflammation in patients with ankylosing spondylitis (AS) and may predict new bone formation in the spine. Similar tissue, termed backfill, may also fill areas of excavated bone in the sacroiliac (SI) joints and may reflect resolution of inflammation and tissue repair at sites of erosions. The purpose of this study was to test our hypothesis that SI joint ankylosis develops following repair of erosions and that tissue characterized by fat metaplasia is a key intermediary step in this pathway. We used the Spondyloarthritis Research Consortium of Canada (SPARCC) SI structural lesion score (SSS) method to assess fat metaplasia, erosions, backfill, and ankylosis on MRIs of the SI joints in 147 patients with AS monitored for 2 years. Univariate and multivariate regression analyses focused first on identifying significant MRI predictors of new backfill and fat metaplasia. We then assessed the role of backfill and fat metaplasia in the development of new ankylosis. All analyses were adjusted for demographic features, treatment, and baseline and 2-year change in SSS values for parameters of inflammation and MRI structural lesions. Resolution of inflammation and reduction of erosions were each independently associated with the development of new backfill and fat metaplasia at 2 years on multivariate analyses. Multivariate regression analysis that included demographic features, baseline and 2-year change in parameters of inflammation and MRI structural lesion showed that reduction in erosions (P = 0.0005) and increase in fat metaplasia (P = 0.002) at 2 years was each independently associated with the development of new ankylosis. Our data support a disease model whereby ankylosis develops following repair of erosions, and fat metaplasia and backfill are key intermediary steps in this pathway. Copyright © 2014 by the American College of Rheumatology.

Developing spectral, structural, and phenological diversity proxies for monitoring biodiversity change across space and time using ESA's Sentinel satellites

NASA Astrophysics Data System (ADS)

Ma, X.; Mahecha, M. D.; Migliavacca, M.; Luo, Y.; Urban, M.; Bohn, F. J.; Huth, A.; Reichstein, M.

2017-12-01

A key challenge for monitoring biodiversity change is the lack of consistent measures of biodiversity across space and time. This challenge may be addressed by exploring the potentials provided by novel remote sensing observations. By continuously observing broad-scale patterns of vegetation and land surface parameters, remote sensing can complement the restricted coverage afforded by field measurements. Here we develop methods to infer spatial patterns of biodiversity at ecosystem level from ESA's next-generation Sentinel sensors (Sentinel-1: C-band radar & Sentinel-2: multispectral). Both satellites offer very high spatial (10 m) and temporal resolutions (5 days) measurements with global coverage. We propose and test several ecosystem biodiversity proxies, including landscape spectral diversity, phenological diversity, and canopy structural diversity. These diversity proxies are highly related to some key aspects of essential biodiversity variables (EBVs) as defined by GEO-BON, such as habitat structure, community composition, ecosystem function and structure. We verify spaceborne retrievals of these biodiversity proxies with in situ measurements from drone (spectral diversity), phenocam (phenological diversity), and airborne LiDAR (canopy structural diversity) over multiple flux tower sites within the Mediterranean region. We further compare our remote sensing retrievals of biodiversity proxies against several biodiversity indices as derived from field measurements (incl. ⍺-/β- diversity and Shannon-index) to explore the limitations and potentials of extending the RS proxies to a greater spatial extent. We expect the new concept as to maximize the potential of remote sensing information might help to monitor key aspects of EBVs on a global scale.

Topological and kinetic determinants of the modal matrices of dynamic models of metabolism

PubMed Central

2017-01-01

Large-scale kinetic models of metabolism are becoming increasingly comprehensive and accurate. A key challenge is to understand the biochemical basis of the dynamic properties of these models. Linear analysis methods are well-established as useful tools for characterizing the dynamic response of metabolic networks. Central to linear analysis methods are two key matrices: the Jacobian matrix (J) and the modal matrix (M-1) arising from its eigendecomposition. The modal matrix M-1 contains dynamically independent motions of the kinetic model near a reference state, and it is sparse in practice for metabolic networks. However, connecting the structure of M-1 to the kinetic properties of the underlying reactions is non-trivial. In this study, we analyze the relationship between J, M-1, and the kinetic properties of the underlying network for kinetic models of metabolism. Specifically, we describe the origin of mode sparsity structure based on features of the network stoichiometric matrix S and the reaction kinetic gradient matrix G. First, we show that due to the scaling of kinetic parameters in real networks, diagonal dominance occurs in a substantial fraction of the rows of J, resulting in simple modal structures with clear biological interpretations. Then, we show that more complicated modes originate from topologically-connected reactions that have similar reaction elasticities in G. These elasticities represent dynamic equilibrium balances within reactions and are key determinants of modal structure. The work presented should prove useful towards obtaining an understanding of the dynamics of kinetic models of metabolism, which are rooted in the network structure and the kinetic properties of reactions. PMID:29267329

Color image cryptosystem using Fresnel diffraction and phase modulation in an expanded fractional Fourier transform domain

NASA Astrophysics Data System (ADS)

Chen, Hang; Liu, Zhengjun; Chen, Qi; Blondel, Walter; Varis, Pierre

2018-05-01

In this letter, what we believe is a new technique for optical color image encryption by using Fresnel diffraction and a phase modulation in an extended fractional Fourier transform domain is proposed. Different from the RGB component separation based method, the color image is converted into one component by improved Chirikov mapping. The encryption system is addressed with Fresnel diffraction and phase modulation. A pair of lenses is placed into the fractional Fourier transform system for the modulation of beam propagation. The structure parameters of the optical system and parameters in Chirikov mapping serve as extra keys. Some numerical simulations are given to test the validity of the proposed cryptosystem.

Thermostabilisation of membrane proteins for structural studies

PubMed Central

Magnani, Francesca; Serrano-Vega, Maria J.; Shibata, Yoko; Abdul-Hussein, Saba; Lebon, Guillaume; Miller-Gallacher, Jennifer; Singhal, Ankita; Strege, Annette; Thomas, Jennifer A.; Tate, Christopher G.

2017-01-01

The thermostability of an integral membrane protein in detergent solution is a key parameter that dictates the likelihood of obtaining well-diffracting crystals suitable for structure determination. However, many mammalian membrane proteins are too unstable for crystallisation. We developed a thermostabilisation strategy based on systematic mutagenesis coupled to a radioligand-binding thermostability assay that can be applied to receptors, ion channels and transporters. It takes approximately 6-12 months to thermostabilise a G protein-coupled receptor (GPCR) containing 300 amino acid residues. The resulting thermostabilised membrane proteins are more easily crystallised and result in high-quality structures. This methodology has facilitated structure-based drug design applied to GPCRs, because it is possible to determine multiple structures of the thermostabilised receptors bound to low affinity ligands. Protocols and advice are given on how to develop thermostability assays for membrane proteins and how to combine mutations to make an optimally stable mutant suitable for structural studies. PMID:27466713

Model Updating of Complex Structures Using the Combination of Component Mode Synthesis and Kriging Predictor

PubMed Central

Li, Yan; Wang, Dejun; Zhang, Shaoyi

2014-01-01

Updating the structural model of complex structures is time-consuming due to the large size of the finite element model (FEM). Using conventional methods for these cases is computationally expensive or even impossible. A two-level method, which combined the Kriging predictor and the component mode synthesis (CMS) technique, was proposed to ensure the successful implementing of FEM updating of large-scale structures. In the first level, the CMS was applied to build a reasonable condensed FEM of complex structures. In the second level, the Kriging predictor that was deemed as a surrogate FEM in structural dynamics was generated based on the condensed FEM. Some key issues of the application of the metamodel (surrogate FEM) to FEM updating were also discussed. Finally, the effectiveness of the proposed method was demonstrated by updating the FEM of a real arch bridge with the measured modal parameters. PMID:24634612

Impact of small-scale vegetation structure on tephra layer preservation

PubMed Central

Cutler, Nick A.; Shears, Olivia M.; Streeter, Richard T.; Dugmore, Andrew J.

2016-01-01

The factors that influence tephra layer taphonomy are poorly understood, but vegetation cover is likely to play a role in the preservation of terrestrial tephra deposits. The impact of vegetation on tephra layer preservation is important because: 1) the morphology of tephra layers could record key characteristics of past land surfaces and 2) vegetation-driven variability in tephra thickness could affect attempts to infer eruption and dispersion parameters. We investigated small- (metre-) scale interactions between vegetation and a thin (<10 cm), recent tephra layer. We conducted surveys of vegetation structure and tephra thickness at two locations which received a similar tephra deposit, but had contrasting vegetation cover (moss vs shrub). The tephra layer was thicker and less variable under shrub cover. Vegetation structure and layer thickness were correlated on the moss site but not under shrub cover, where the canopy reduced the influence of understory vegetation on layer morphology. Our results show that vegetation structure can influence tephra layer thickness on both small and medium (site) scales. These findings suggest that some tephra layers may carry a signal of past vegetation cover. They also have implications for the sampling effort required to reliably estimate the parameters of initial deposits. PMID:27845415

Epidemic outbreaks in growing scale-free networks with local structure

NASA Astrophysics Data System (ADS)

Ni, Shunjiang; Weng, Wenguo; Shen, Shifei; Fan, Weicheng

2008-09-01

The class of generative models has already attracted considerable interest from researchers in recent years and much expanded the original ideas described in BA model. Most of these models assume that only one node per time step joins the network. In this paper, we grow the network by adding n interconnected nodes as a local structure into the network at each time step with each new node emanating m new edges linking the node to the preexisting network by preferential attachment. This successfully generates key features observed in social networks. These include power-law degree distribution pk∼k, where μ=(n-1)/m is a tuning parameter defined as the modularity strength of the network, nontrivial clustering, assortative mixing, and modular structure. Moreover, all these features are dependent in a similar way on the parameter μ. We then study the susceptible-infected epidemics on this network with identical infectivity, and find that the initial epidemic behavior is governed by both of the infection scheme and the network structure, especially the modularity strength. The modularity of the network makes the spreading velocity much lower than that of the BA model. On the other hand, increasing the modularity strength will accelerate the propagation velocity.

Design of high-speed optical transmission module with an integrated Ti:Er:LiNbO3 waveguide laser/ LiNbO3 electro-optic modulator

NASA Astrophysics Data System (ADS)

Bai, Yang; Chen, Shufen; Fu, Li; Fang, Wei; Lu, Junjun

2005-01-01

A high bit rate more than 10Gbit/s optical pulse generation device is the key to achieving high-speed and broadband optical fiber communication network system .Now, we propose a novel high-speed optical transmission module(TM) consisting of a Ti:Er:LiNbO3 waveguide laser and a Mach-Zehnder-type encoding modulator on the same Er-doped substrate. According to the standard of ITU-T, we design the 10Gbit/ s transmission module at 1.53μm on the Z cut Y propagation LiNbO3 slice. A dynamic model and the corresponding numerical code are used to analyze the waveguide laser while the electrooptic effect to design the modulator. Meanwhile, the working principle, key technology, typical characteristic parameters of the module are given. The transmission module has a high extinction ratio and a low driving voltage, which supplies the efficient, miniaturized light source for wavelength division multiplexing(WDM) system. In additional, the relation of the laser gain with the cavity parameter, as well as the relation of the bandwidth of the electrooptic modulator with some key factors are discussed .The designed module structure is simulated by BPM software and HFSS software.

Thermodynamic and structure-property study of liquid-vapor equilibrium for aroma compounds.

PubMed

Tromelin, Anne; Andriot, Isabelle; Kopjar, Mirela; Guichard, Elisabeth

2010-04-14

Thermodynamic parameters (T, DeltaH degrees , DeltaS degrees , K) were collected from the literature and/or calculated for five esters, four ketones, two aldehydes, and three alcohols, pure compounds and compounds in aqueous solution. Examination of correlations between these parameters and the range values of DeltaH degrees and DeltaS degrees puts forward the key roles of enthalpy for vaporization of pure compounds and of entropy in liquid-vapor equilibrium of compounds in aqueous solution. A structure-property relationship (SPR) study was performed using molecular descriptors on aroma compounds to better understand their vaporization behavior. In addition to the role of polarity for vapor-liquid equilibrium of compounds in aqueous solution, the structure-property study points out the role of chain length and branching, illustrated by the correlation between the connectivity index CHI-V-1 and the difference between T and log K for vaporization of pure compounds and compounds in aqueous solution. Moreover, examination of the esters' enthalpy values allowed a probable conformation adopted by ethyl octanoate in aqueous solution to be proposed.

Neutronographic investigations of supramolecular structures on upgraded small-angle spectrometer YuMO

NASA Astrophysics Data System (ADS)

Kuklin, A. I.; Rogachev, A. V.; Soloviov, D. V.; Ivankov, O. I.; Kovalev, Yu S.; Utrobin, P. K.; Kutuzov, S. A.; Soloviev, A. G.; Rulev, M. I.; Gordeliy, V. I.

2017-05-01

Abstract.The work is a review of neutronographic investigations of supramolecular structures on upgraded small-angle spectrometer YuMO. Here, key parameters of small-angle spectrometers are considered. It is shown that two-detector system is the basis of YuMO upgrade. It allows to widen the dynamic q-range twice. In result, the available q-range is widened and dynamic q-range and data collection rate are doubled. The detailed description of YuMO spectrometer is given.The short review of experimental researches made on the spectrometer in the polymers field, biology, material science and physical chemistry is given. The current investigations also have a methodological aspect. It is shown that upgraded spectrometer provides advanced world level of research of supramolecular structures.

Optical image encryption method based on incoherent imaging and polarized light encoding

NASA Astrophysics Data System (ADS)

Wang, Q.; Xiong, D.; Alfalou, A.; Brosseau, C.

2018-05-01

We propose an incoherent encoding system for image encryption based on a polarized encoding method combined with an incoherent imaging. Incoherent imaging is the core component of this proposal, in which the incoherent point-spread function (PSF) of the imaging system serves as the main key to encode the input intensity distribution thanks to a convolution operation. An array of retarders and polarizers is placed on the input plane of the imaging structure to encrypt the polarized state of light based on Mueller polarization calculus. The proposal makes full use of randomness of polarization parameters and incoherent PSF so that a multidimensional key space is generated to deal with illegal attacks. Mueller polarization calculus and incoherent illumination of imaging structure ensure that only intensity information is manipulated. Another key advantage is that complicated processing and recording related to a complex-valued signal are avoided. The encoded information is just an intensity distribution, which is advantageous for data storage and transition because information expansion accompanying conventional encryption methods is also avoided. The decryption procedure can be performed digitally or using optoelectronic devices. Numerical simulation tests demonstrate the validity of the proposed scheme.

ARPES investigations of parent compounds of 122 Fe-based superconductors and their 3d transition metal cousins

NASA Astrophysics Data System (ADS)

Richard, Pierre; Zhang, W.-L.; Wu, S.-F.; van Roekeghem, A.; Zhang, P.; Miao, H.; Qian, T.; Nie, S.-M.; Chen, G.-F.; Ding, H.; Xu, N.; Biermann, S.; Capan, C.; Fisk, Z.; Saparov, B. I.; Sefat, A. S.

2015-03-01

It is widely believed that the key ingredients for high-temperature superconductivity are already present in the non-superconducting parent compounds. With its ability to probe the single-particle electronic structure directly in the momentum space, ARPES is a very powerful tool to determine which parameters of the electronic structure are possibly relevant for promoting superconductivity. Here we report ARPES studies on the parent compounds of the 122 family of Fe-based superconductors and their 3 d transition metal pnictide cousins. In particular, we show that the Fe-compound exhibits the largest electronic correlations, possibly a determining factor for unconventional superconductivity.

Using a Functional Simulation of Crisis Management to Test the C2 Agility Model Parameters on Key Performance Variables

DTIC Science & Technology

2013-06-01

1 18th ICCRTS Using a Functional Simulation of Crisis Management to Test the C2 Agility Model Parameters on Key Performance Variables...AND SUBTITLE Using a Functional Simulation of Crisis Management to Test the C2 Agility Model Parameters on Key Performance Variables 5a. CONTRACT...command in crisis management. C2 Agility Model Agility can be conceptualized at a number of different levels; for instance at the team

A Three-dimensional Statistical Reconstruction Model of Grapevine (Vitis vinifera) Simulating Canopy Structure Variability within and between Cultivar/Training System Pairs

PubMed Central

Louarn, Gaëtan; Lecoeur, Jérémie; Lebon, Eric

2008-01-01

Background and Aims In grapevine, canopy-structure-related variations in light interception and distribution affect productivity, yield and the quality of the harvested product. A simple statistical model for reconstructing three-dimensional (3D) canopy structures for various cultivar–training system (C × T) pairs has been implemented with special attention paid to balance the time required for model parameterization and accuracy of the representations from organ to stand scales. Such an approach particularly aims at overcoming the weak integration of interplant variability using the usual direct 3D measurement methods. Model This model is original in combining a turbid-medium-like envelope enclosing the volume occupied by vine shoots with the use of discrete geometric polygons representing leaves randomly located within this volume to represent plant structure. Reconstruction rules were adapted to capture the main determinants of grapevine shoot architecture and their variability. Using a simplified set of parameters, it was possible to describe (1) the 3D path of the main shoot, (2) the volume occupied by the foliage around this path and (3) the orientation of individual leaf surfaces. Model parameterization (estimation of the probability distribution for each parameter) was carried out for eight contrasting C × T pairs. Key Results and Conclusions The parameter values obtained in each situation were consistent with our knowledge of grapevine architecture. Quantitative assessments for the generated virtual scenes were carried out at the canopy and plant scales. Light interception efficiency and local variations of light transmittance within and between experimental plots were correctly simulated for all canopies studied. The approach predicted these key ecophysiological variables significantly more accurately than the classical complete digitization method with a limited number of plants. In addition, this model accurately reproduced the characteristics of a wide range of individual digitized plants. Simulated leaf area density and the distribution of light interception among leaves were consistent with measurements. However, at the level of individual organs, the model tended to underestimate light interception. PMID:18202006

A generalized reaction diffusion model for spatial structure formed by motile cells.

PubMed

Ochoa, F L

1984-01-01

A non-linear stability analysis using a multi-scale perturbation procedure is carried out on a model of a generalized reaction diffusion mechanism which involves only a single equation but which nevertheless exhibits bifurcation to non-uniform states. The patterns generated by this model by variation in a parameter related to the scalar dimensions of domain of definition, indicate its capacity to represent certain key morphogenetic features of multicellular systems formed by motile cells.

New CHOD detector for the NA62 experiment at CERN

NASA Astrophysics Data System (ADS)

Fedotov, S. A.; Kleymenova, A. A.; Khotjantsev, A. N.

2018-01-01

The New CHOD is a scintillation hodoscope with a pad structure featuring a total of 148 counters. The signal from each pad is read out using wavelength-shifting fibers and two or four SensL SiPMs with a sensitive area of 3 × 3 mm2. This photodetector has 4774 pixels 35 × 35 μm2 in size. The key parameters (photon detection efficiency, dark current, crosstalk, and gain) were measured for 500 SiPMs.

Simulating the Refractive Index Structure Constant ({C}_{n}^{2}) in the Surface Layer at Antarctica with a Mesoscale Model

NASA Astrophysics Data System (ADS)

Qing, Chun; Wu, Xiaoqing; Li, Xuebin; Tian, Qiguo; Liu, Dong; Rao, Ruizhong; Zhu, Wenyue

2018-01-01

In this paper, we introduce an approach wherein the Weather Research and Forecasting (WRF) model is coupled with the bulk aerodynamic method to estimate the surface layer refractive index structure constant (C n 2) above Taishan Station in Antarctica. First, we use the measured meteorological parameters to estimate C n 2 using the bulk aerodynamic method, and second, we use the WRF model output parameters to estimate C n 2 using the bulk aerodynamic method. Finally, the corresponding C n 2 values from the micro-thermometer are compared with the C n 2 values estimated using the WRF model coupled with the bulk aerodynamic method. We analyzed the statistical operators—the bias, root mean square error (RMSE), bias-corrected RMSE (σ), and correlation coefficient (R xy )—in a 20 day data set to assess how this approach performs. In addition, we employ contingency tables to investigate the estimation quality of this approach, which provides complementary key information with respect to the bias, RMSE, σ, and R xy . The quantitative results are encouraging and permit us to confirm the fine performance of this approach. The main conclusions of this study tell us that this approach provides a positive impact on optimizing the observing time in astronomical applications and provides complementary key information for potential astronomical sites.

Sensitivity Analysis and Parameter Estimation for a Reactive Transport Model of Uranium Bioremediation

NASA Astrophysics Data System (ADS)

Meyer, P. D.; Yabusaki, S.; Curtis, G. P.; Ye, M.; Fang, Y.

2011-12-01

A three-dimensional, variably-saturated flow and multicomponent biogeochemical reactive transport model of uranium bioremediation was used to generate synthetic data . The 3-D model was based on a field experiment at the U.S. Dept. of Energy Rifle Integrated Field Research Challenge site that used acetate biostimulation of indigenous metal reducing bacteria to catalyze the conversion of aqueous uranium in the +6 oxidation state to immobile solid-associated uranium in the +4 oxidation state. A key assumption in past modeling studies at this site was that a comprehensive reaction network could be developed largely through one-dimensional modeling. Sensitivity analyses and parameter estimation were completed for a 1-D reactive transport model abstracted from the 3-D model to test this assumption, to identify parameters with the greatest potential to contribute to model predictive uncertainty, and to evaluate model structure and data limitations. Results showed that sensitivities of key biogeochemical concentrations varied in space and time, that model nonlinearities and/or parameter interactions have a significant impact on calculated sensitivities, and that the complexity of the model's representation of processes affecting Fe(II) in the system may make it difficult to correctly attribute observed Fe(II) behavior to modeled processes. Non-uniformity of the 3-D simulated groundwater flux and averaging of the 3-D synthetic data for use as calibration targets in the 1-D modeling resulted in systematic errors in the 1-D model parameter estimates and outputs. This occurred despite using the same reaction network for 1-D modeling as used in the data-generating 3-D model. Predictive uncertainty of the 1-D model appeared to be significantly underestimated by linear parameter uncertainty estimates.

Genomic data assimilation for estimating hybrid functional Petri net from time-course gene expression data.

PubMed

Nagasaki, Masao; Yamaguchi, Rui; Yoshida, Ryo; Imoto, Seiya; Doi, Atsushi; Tamada, Yoshinori; Matsuno, Hiroshi; Miyano, Satoru; Higuchi, Tomoyuki

2006-01-01

We propose an automatic construction method of the hybrid functional Petri net as a simulation model of biological pathways. The problems we consider are how we choose the values of parameters and how we set the network structure. Usually, we tune these unknown factors empirically so that the simulation results are consistent with biological knowledge. Obviously, this approach has the limitation in the size of network of interest. To extend the capability of the simulation model, we propose the use of data assimilation approach that was originally established in the field of geophysical simulation science. We provide genomic data assimilation framework that establishes a link between our simulation model and observed data like microarray gene expression data by using a nonlinear state space model. A key idea of our genomic data assimilation is that the unknown parameters in simulation model are converted as the parameter of the state space model and the estimates are obtained as the maximum a posteriori estimators. In the parameter estimation process, the simulation model is used to generate the system model in the state space model. Such a formulation enables us to handle both the model construction and the parameter tuning within a framework of the Bayesian statistical inferences. In particular, the Bayesian approach provides us a way of controlling overfitting during the parameter estimations that is essential for constructing a reliable biological pathway. We demonstrate the effectiveness of our approach using synthetic data. As a result, parameter estimation using genomic data assimilation works very well and the network structure is suitably selected.

Integrating Materials, Manufacturing, Design and Validation for Sustainability in Future Transport Systems

NASA Astrophysics Data System (ADS)

Price, M. A.; Murphy, A.; Butterfield, J.; McCool, R.; Fleck, R.

2011-05-01

The predictive methods currently used for material specification, component design and the development of manufacturing processes, need to evolve beyond the current `metal centric' state of the art, if advanced composites are to realise their potential in delivering sustainable transport solutions. There are however, significant technical challenges associated with this process. Deteriorating environmental, political, economic and social conditions across the globe have resulted in unprecedented pressures to improve the operational efficiency of the manufacturing sector generally and to change perceptions regarding the environmental credentials of transport systems in particular. There is a need to apply new technologies and develop new capabilities to ensure commercial sustainability in the face of twenty first century economic and climatic conditions as well as transport market demands. A major technology gap exists between design, analysis and manufacturing processes in both the OEMs, and the smaller companies that make up the SME based supply chain. As regulatory requirements align with environmental needs, manufacturers are increasingly responsible for the broader lifecycle aspects of vehicle performance. These include not only manufacture and supply but disposal and re-use or re-cycling. In order to make advances in the reduction of emissions coupled with improved economic efficiency through the provision of advanced lightweight vehicles, four key challenges are identified as follows: Material systems, Manufacturing systems, Integrated design methods using digital manufacturing tools and Validation systems. This paper presents a project which has been designed to address these four key issues, using at its core, a digital framework for the creation and management of key parameters related to the lifecycle performance of thermoplastic composite parts and structures. It aims to provide capability for the proposition, definition, evaluation and demonstration of advanced lightweight structures for new generation vehicles in the context of whole life performance parameters.

On the role of hydrogel structure and degradation in controlling the transport of cell-secreted matrix molecules for engineered cartilage.

PubMed

Dhote, Valentin; Skaalure, Stacey; Akalp, Umut; Roberts, Justine; Bryant, Stephanie J; Vernerey, Franck J

2013-03-01

Damage to cartilage caused by injury or disease can lead to pain and loss of mobility, diminishing one's quality of life. Because cartilage has a limited capacity for self-repair, tissue engineering strategies, such as cells encapsulated in synthetic hydrogels, are being investigated as a means to restore the damaged cartilage. However, strategies to date are suboptimal in part because designing degradable hydrogels is complicated by structural and temporal complexities of the gel and evolving tissue along multiple length scales. To address this problem, this study proposes a multi-scale mechanical model using a triphasic formulation (solid, fluid, unbound matrix molecules) based on a single chondrocyte releasing extracellular matrix molecules within a degrading hydrogel. This model describes the key players (cells, proteoglycans, collagen) of the biological system within the hydrogel encompassing different length scales. Two mechanisms are included: temporal changes of bulk properties due to hydrogel degradation, and matrix transport. Numerical results demonstrate that the temporal change of bulk properties is a decisive factor in the diffusion of unbound matrix molecules through the hydrogel. Transport of matrix molecules in the hydrogel contributes both to the development of the pericellular matrix and the extracellular matrix and is dependent on the relative size of matrix molecules and the hydrogel mesh. The numerical results also demonstrate that osmotic pressure, which leads to changes in mesh size, is a key parameter for achieving a larger diffusivity for matrix molecules in the hydrogel. The numerical model is confirmed with experimental results of matrix synthesis by chondrocytes in biodegradable poly(ethylene glycol)-based hydrogels. This model may ultimately be used to predict key hydrogel design parameters towards achieving optimal cartilage growth. Copyright © 2012 Elsevier Ltd. All rights reserved.

On the role of hydrogel structure and degradation in controlling the transport of cell-secreted matrix molecules for engineered cartilage

PubMed Central

Dhote, Valentin; Skaalure, Stacey; Akalp, Umut; Roberts, Justine; Bryant, Stephanie J.; Vernerey, Franck J.

2012-01-01

Damage to cartilage caused by injury or disease can lead to pain and loss of mobility, diminishing one’s quality of life. Because cartilage has a limited capacity for self-repair, tissue engineering strategies, such as cells encapsulated in synthetic hydrogels, are being investigated as a means to restore the damaged cartilage. However, strategies to date are suboptimal in part because designing degradable hydrogels is complicated by structural and temporal complexities of the gel and evolving tissue along multiple length scales. To address this problem, this study proposes a multi-scale mechanical model using a triphasic formulation (solid, fluid, unbound matrix molecules) based on a single chondrocyte releasing extracellular matrix molecules within a degrading hydrogel. This model describes the key players (cells, proteoglycans, collagen) of the biological system within the hydrogel encompassing different length scales. Two mechanisms are included: temporal changes of bulk properties due to hydrogel degradation, and matrix transport. Numerical results demonstrate that the temporal change of bulk properties is a decisive factor in the diffusion of unbound matrix molecules through the hydrogel. Transport of matrix molecules in the hydrogel contributes both to the development of the pericellular matrix and the extracellular matrix and is dependent on the relative size of matrix molecules and the hydrogel mesh. The numerical results also demonstrate that osmotic pressure, which leads to changes in mesh size, is a key parameter for achieving a larger diffusivity for matrix molecules in the hydrogel. The numerical model is confirmed with experimental results of matrix synthesis by chondrocytes in biodegradable poly(ethylene glycol)-based hydrogels. This model may ultimately be used to predict key hydrogel design parameters towards achieving optimal cartilage growth. PMID:23276516

Splitting of the neutral mechanical plane depends on the length of the multi-layer structure of flexible electronics.

PubMed

Li, Shuang; Su, Yewang; Li, Rui

2016-06-01

Multi-layer structures with soft (compliant) interlayers have been widely used in flexible electronics and photonics as an effective design for reducing interactions among the hard (stiff) layers and thus avoiding the premature failure of an entire device. The analytic model for bending of such a structure has not been well established due to its complex mechanical behaviour. Here, we present a rational analytic model, without any parameter fitting, to study the bending of a multi-layer structure on a cylinder, which is often regarded as an important approach to mechanical reliability testing of flexible electronics and photonics. For the first time, our model quantitatively reveals that, as the key for accurate strain control, the splitting of the neutral mechanical plane depends not only on the relative thickness of the middle layer, but also on the length-to-thickness ratio of the multi-layer structure. The model accurately captures the key quantities, including the axial strains in the top and bottom layers, the shear strain in the middle layer and the locations of the neutral mechanical planes of the top and bottom layers. The effects of the length of the multi-layer and the thickness of the middle layer are elaborated. This work is very useful for the design of multi-layer structure-based flexible electronics and photonics.

Splitting of the neutral mechanical plane depends on the length of the multi-layer structure of flexible electronics

PubMed Central

Li, Shuang; Li, Rui

2016-01-01

Multi-layer structures with soft (compliant) interlayers have been widely used in flexible electronics and photonics as an effective design for reducing interactions among the hard (stiff) layers and thus avoiding the premature failure of an entire device. The analytic model for bending of such a structure has not been well established due to its complex mechanical behaviour. Here, we present a rational analytic model, without any parameter fitting, to study the bending of a multi-layer structure on a cylinder, which is often regarded as an important approach to mechanical reliability testing of flexible electronics and photonics. For the first time, our model quantitatively reveals that, as the key for accurate strain control, the splitting of the neutral mechanical plane depends not only on the relative thickness of the middle layer, but also on the length-to-thickness ratio of the multi-layer structure. The model accurately captures the key quantities, including the axial strains in the top and bottom layers, the shear strain in the middle layer and the locations of the neutral mechanical planes of the top and bottom layers. The effects of the length of the multi-layer and the thickness of the middle layer are elaborated. This work is very useful for the design of multi-layer structure-based flexible electronics and photonics. PMID:27436977

Significance of structural changes in proteins: expected errors in refined protein structures.

PubMed Central

Stroud, R. M.; Fauman, E. B.

1995-01-01

A quantitative expression key to evaluating significant structural differences or induced shifts between any two protein structures is derived. Because crystallography leads to reports of a single (or sometimes dual) position for each atom, the significance of any structural change based on comparison of two structures depends critically on knowing the expected precision of each median atomic position reported, and on extracting it for each atom, from the information provided in the Protein Data Bank and in the publication. The differences between structures of protein molecules that should be identical, and that are normally distributed, indicating that they are not affected by crystal contacts, were analyzed with respect to many potential indicators of structure precision, so as to extract, essentially by "machine learning" principles, a generally applicable expression involving the highest correlates. Eighteen refined crystal structures from the Protein Data Bank, in which there are multiple molecules in the crystallographic asymmetric unit, were selected and compared. The thermal B factor, the connectivity of the atom, and the ratio of the number of reflections to the number of atoms used in refinement correlate best with the magnitude of the positional differences between regions of the structures that otherwise would be expected to be the same. These results are embodied in a six-parameter equation that can be applied to any crystallographically refined structure to estimate the expected uncertainty in position of each atom. Structure change in a macromolecule can thus be referenced to the expected uncertainty in atomic position as reflected in the variance between otherwise identical structures with the observed values of correlated parameters. PMID:8563637

In silico screening of drug-membrane thermodynamics reveals linear relations between bulk partitioning and the potential of mean force

NASA Astrophysics Data System (ADS)

Menichetti, Roberto; Kanekal, Kiran H.; Kremer, Kurt; Bereau, Tristan

2017-09-01

The partitioning of small molecules in cell membranes—a key parameter for pharmaceutical applications—typically relies on experimentally available bulk partitioning coefficients. Computer simulations provide a structural resolution of the insertion thermodynamics via the potential of mean force but require significant sampling at the atomistic level. Here, we introduce high-throughput coarse-grained molecular dynamics simulations to screen thermodynamic properties. This application of physics-based models in a large-scale study of small molecules establishes linear relationships between partitioning coefficients and key features of the potential of mean force. This allows us to predict the structure of the insertion from bulk experimental measurements for more than 400 000 compounds. The potential of mean force hereby becomes an easily accessible quantity—already recognized for its high predictability of certain properties, e.g., passive permeation. Further, we demonstrate how coarse graining helps reduce the size of chemical space, enabling a hierarchical approach to screening small molecules.

Feasibility Study of a Satellite Solar Power Station

NASA Technical Reports Server (NTRS)

Glaser, P. E.; Maynard, O. E.; Mackovciak, J. J. R.; Ralph, E. I.

1974-01-01

A feasibility study of a satellite solar power station (SSPS) was conducted to: (1) explore how an SSPS could be flown and controlled in orbit; (2) determine the techniques needed to avoid radio frequency interference (RFI); and (3) determine the key environmental, technological, and economic issues involved. Structural and dynamic analyses of the SSPS structure were performed, and deflections and internal member loads were determined. Desirable material characteristics were assessed and technology developments identified. Flight control performance of the SSPS baseline design was evaluated and parametric sizing studies were performed. The study of RFI avoidance techniques covered (1) optimization of the microwave transmission system; (2) device design and expected RFI; and (3) SSPS RFI effects. The identification of key issues involved (1) microwave generation, transmissions, and rectification and solar energy conversion; (2) environmental-ecological impact and biological effects; and (3) economic issues, i.e., costs and benefits associated with the SSPS. The feasibility of the SSPS based on the parameters of the study was established.

Cirripede Cypris Antennules: How Much Structural Variation Exists Among Balanomorphan Species from Hard-Bottom Habitats?

PubMed

Chan, Benny K K; Sari, Alireza; Høeg, Jens T

2017-10-01

Barnacle cypris antennules are important for substratum attachment during settlement and on through metamorphosis from the larval stage to sessile adult. Studies on the morphology of cirripede cyprids are mostly qualitative, based on descriptions from images obtained using a scanning electron microscope (SEM). To our knowledge, our study is the first to use scanning electron microscopy to quantify overall structural diversity in cypris antennules by measuring 26 morphological parameters, including the structure of sensory organs. We analyzed cyprids from seven species of balanomorphan barnacles inhabiting rocky shore communities; for comparison, we also included a sponge-inhabiting balanomorphan and a verrucomorphan species. Multivariate analysis of the structural parameters resulted in two distinct clusters of species. From nonmetric multidimensional scaling plots, the sponge-inhabiting Balanus spongicola and Verruca stroemia formed one cluster, while the other balanomorphan species, all from hard bottoms, grouped together in the other cluster. The shape of the attachment disk on segment 3 is the key parameter responsible for the separation into two clusters. The present results show that species from a coastal hard-bottom habitat may share a nearly identical antennular structure that is distinct from barnacles from other habitats, and this finding supports the fact that such species also have rather similar reactions to substratum cues during settlement. Any differences that may be found in settlement biology among such species must therefore be due either to differences in the properties of their adhesive mechanisms or to the way that sensory stimuli are detected by virtually identical setae and processed into settlement behavior by the cyprid.

Revealing Hidden Structural Order Controlling Both Fast and Slow Glassy Dynamics in Supercooled Liquids

NASA Astrophysics Data System (ADS)

Tong, Hua; Tanaka, Hajime

2018-01-01

The dynamics of a supercooled liquid near the glass transition is characterized by two-step relaxation, fast β and slow α relaxations. Because of the apparently disordered nature of glassy structures, there have been long debates over whether the origin of drastic slowing-down of the α relaxation accompanied by heterogeneous dynamics is thermodynamic or dynamic. Furthermore, it has been elusive whether there is any deep connection between fast β and slow α modes. To settle these issues, here we introduce a set of new structural order parameters characterizing sterically favored structures with high local packing capability, and then access structure-dynamics correlation by a novel nonlocal approach. We find that the particle mobility is under control of the static order parameter field. The fast β process is controlled by the instantaneous order parameter field locally, resulting in short-time particle-scale dynamics. Then the mobility field progressively develops with time t , following the initial order parameter field from disorder to more ordered regions. As is well known, the heterogeneity in the mobility field (dynamic heterogeneity) is maximized with a characteristic length ξ4, when t reaches the relaxation time τα. We discover that this mobility pattern can be predicted solely by a spatial coarse graining of the initial order parameter field at t =0 over a length ξ without any dynamical information. Furthermore, we find a relation ξ ˜ξ4, indicating that the static length ξ grows coherently with the dynamic one ξ4 upon cooling. This further suggests an intrinsic link between τα and ξ : the growth of the static length ξ is the origin of dynamical slowing-down. These we confirm for the first time in binary glass formers both in two and three spatial dimensions. Thus, a static structure has two intrinsic characteristic lengths, particle size and ξ , which control dynamics in local and nonlocal manners, resulting in the emergence of the two key relaxation modes, fast β and slow α processes, respectively. Because the two processes share a common structural origin, we can even predict a dynamic propensity pattern at long timescale from the fast β pattern. The presence of such intrinsic structure-dynamics correlation strongly indicates a thermodynamic nature of glass transition.

Image encryption based on fractal-structured phase mask in fractional Fourier transform domain

NASA Astrophysics Data System (ADS)

Zhao, Meng-Dan; Gao, Xu-Zhen; Pan, Yue; Zhang, Guan-Lin; Tu, Chenghou; Li, Yongnan; Wang, Hui-Tian

2018-04-01

We present an optical encryption approach based on the combination of fractal Fresnel lens (FFL) and fractional Fourier transform (FrFT). Our encryption approach is in fact a four-fold encryption scheme, including the random phase encoding produced by the Gerchberg–Saxton algorithm, a FFL, and two FrFTs. A FFL is composed of a Sierpinski carpet fractal plate and a Fresnel zone plate. In our encryption approach, the security is enhanced due to the more expandable key spaces and the use of FFL overcomes the alignment problem of the optical axis in optical system. Only using the perfectly matched parameters of the FFL and the FrFT, the plaintext can be recovered well. We present an image encryption algorithm that from the ciphertext we can get two original images by the FrFT with two different phase distribution keys, obtained by performing 100 iterations between the two plaintext and ciphertext, respectively. We test the sensitivity of our approach to various parameters such as the wavelength of light, the focal length of FFL, and the fractional orders of FrFT. Our approach can resist various attacks.

Brownmillerite thin films as fast ion conductors for ultimate-performance resistance switching memory.

PubMed

Acharya, Susant Kumar; Jo, Janghyun; Raveendra, Nallagatlla Venkata; Dash, Umasankar; Kim, Miyoung; Baik, Hionsuck; Lee, Sangik; Park, Bae Ho; Lee, Jae Sung; Chae, Seung Chul; Hwang, Cheol Seong; Jung, Chang Uk

2017-07-27

An oxide-based resistance memory is a leading candidate to replace Si-based flash memory as it meets the emerging specifications for future memory devices. The non-uniformity in the key switching parameters and low endurance in conventional resistance memory devices are preventing its practical application. Here, a novel strategy to overcome the aforementioned challenges has been unveiled by tuning the growth direction of epitaxial brownmillerite SrFeO 2.5 thin films along the SrTiO 3 [111] direction so that the oxygen vacancy channels can connect both the top and bottom electrodes rather directly. The controlled oxygen vacancy channels help reduce the randomness of the conducting filament (CF). The resulting device displayed high endurance over 10 6 cycles, and a short switching time of ∼10 ns. In addition, the device showed very high uniformity in the key switching parameters for device-to-device and within a device. This work demonstrates a feasible example for improving the nanoscale device performance by controlling the atomic structure of a functional oxide layer.

Giant magnetoelectric effect in negative magnetostrictive/piezoelectric/positive magnetostrictive semiring structure

NASA Astrophysics Data System (ADS)

Zeng, Lingyu; Zhou, Minhong; Bi, Ke; Lei, Ming

2016-01-01

Magnetoelectric (ME) Ni/PZT/TbFe2 and TbFe2/PZT composites with two semiring structures are prepared. The dependence between ME coupling and magnetostrictive property of the composite is discussed. Because Ni possesses negative magnetostrictive property and TbFe2 shows positive magnetostrictive property, the ME voltage coefficient of Ni/PZT/TbFe2 semiring structure is much larger than that of TbFe2/PZT. In these composites, the ME voltage coefficient increases and the resonance frequency gradually decreases with the increase of the semiring radius, showing that structural parameters are key factors to the composite properties. Due to the strong ME coupling effect, a giant ME voltage coefficient αE = 44.8 V cm-1 Oe-1 is obtained. This approach opens a way for the design of ME composites with giant ME voltage coefficient.

Continuous-Flow MOVPE of Ga-Polar GaN Column Arrays and Core-Shell LED Structures

NASA Astrophysics Data System (ADS)

Wang, Xue; Li, Shunfeng; Mohajerani, Matin Sadat; Ledig, Johannes; Wehmann, Hergo-Heinrich; Mandl, Martin; Strassburg, Martin; Steegmüller, Ulrich; Jahn, Uwe; Lähnemann, Jonas; Riechert, Henning; Griffiths, Ian; Cherns, David; Waag, Andreas

2013-06-01

Arrays of dislocation free uniform Ga-polar GaN columns have been realized on patterned SiOx/GaN/sapphire templates by metal organic vapor phase epitaxy using a continuous growth mode. The key parameters and the physical principles of growth of Ga-polar GaN three-dimensional columns are identified, and their potential for manipulating the growth process is discussed. High aspect ratio columns have been achieved using silane during the growth, leading to n-type columns. The vertical growth rate increases with increasing silane flow. In a core-shell columnar LED structure, the shells of InGaN/GaN multi quantum wells and p-GaN have been realized on a core of n-doped GaN column. Cathodoluminescence gives insight into the inner structure of these core-shell LED structures.

Optical emission of two-dimensional arsenic sulfide prepared by plasma

NASA Astrophysics Data System (ADS)

Mochalov, Leonid; Nezhdanov, Aleksey; Logunov, Alexander; Kudryashov, Mikhail; Krivenkov, Ivan; Vorotyntsev, Andrey; Gogova, Daniela; Mashin, Aleksandr

2018-02-01

For the first time optical emission of prepared in plasma two-dimensional arsenic sulphide materials "beyond graphene" has been demonstrated. A strong structural photoluminescence exited by continuous wave operation lasers with a laser excitation wavelength of 473 nm and 632.8 nm has been observed. The influence of excitation parameters, chemical composition, structure, and annealing conditions on the intensity of photoluminescence of the chalcogenide materials has been established. Mass-spectrometry and Raman spectroscopy were coupled with quantum-chemical calculations to reveal the fragments which are the building blocks of the 2D As-S materials. A plausible mechanism of formation and modification of the arsenic sulfide luminiscenting structural units has been proposed. The properties of the 2D pole-structured and layered arsenic sulphide could be a key to advancing the 2D photosensitive devices.

Metrology of deep trench etched memory structures using 3D scatterometry

NASA Astrophysics Data System (ADS)

Reinig, Peter; Dost, Rene; Moert, Manfred; Hingst, Thomas; Mantz, Ulrich; Moffitt, Jasen; Shakya, Sushil; Raymond, Christopher J.; Littau, Mike

2005-05-01

Scatterometry is receiving considerable attention as an emerging optical metrology in the silicon industry. One area of progress in deploying these powerful measurements in process control is performing measurements on real device structures, as opposed to limiting scatterometry measurements to periodic structures, such as line-space gratings, placed in the wafer scribe. In this work we will discuss applications of 3D scatterometry to the measurement of advanced trench memory devices. This is a challenging and complex scatterometry application that requires exceptionally high-performance computational abilities. In order to represent the physical device, the relatively tall structures require a high number of slices in the rigorous coupled wave analysis (RCWA) theoretical model. This is complicated further by the presence of an amorphous silicon hard mask on the surface, which is highly sensitive to reflectance scattering and therefore needs to be modeled in detail. The overall structure is comprised of several layers, with the trenches presenting a complex bow-shape sidewall that must be measured. Finally, the double periodicity in the structures demands significantly greater computational capabilities. Our results demonstrate that angular scatterometry is sensitive to the key parameters of interest. The influence of further model parameters and parameter cross correlations have to be carefully taken into account. Profile results obtained by non-library optimization methods compare favorably with cross-section SEM images. Generating a model library suitable for process control, which is preferred for precision, presents numerical throughput challenges. Details will be discussed regarding library generation approaches and strategies for reducing the numerical overhead. Scatterometry and SEM results will be compared, leading to conclusions about the feasibility of this advanced application.

Outcome quality of in-patient cardiac rehabilitation in elderly patients--identification of relevant parameters.

PubMed

Salzwedel, Annett; Nosper, Manfred; Röhrig, Bernd; Linck-Eleftheriadis, Sigrid; Strandt, Gert; Völler, Heinz

2014-02-01

Outcome quality management requires the consecutive registration of defined variables. The aim was to identify relevant parameters in order to objectively assess the in-patient rehabilitation outcome. From February 2009 to June 2010 1253 patients (70.9 ± 7.0 years, 78.1% men) at 12 rehabilitation clinics were enrolled. Items concerning sociodemographic data, the impairment group (surgery, conservative/interventional treatment), cardiovascular risk factors, structural and functional parameters and subjective health were tested in respect of their measurability, sensitivity to change and their propensity to be influenced by rehabilitation. The majority of patients (61.1%) were referred for rehabilitation after cardiac surgery, 38.9% after conservative or interventional treatment for an acute coronary syndrome. Functionally relevant comorbidities were seen in 49.2% (diabetes mellitus, stroke, peripheral artery disease, chronic obstructive lung disease). In three key areas 13 parameters were identified as being sensitive to change and subject to modification by rehabilitation: cardiovascular risk factors (blood pressure, low-density lipoprotein cholesterol, triglycerides), exercise capacity (resting heart rate, maximal exercise capacity, maximal walking distance, heart failure, angina pectoris) and subjective health (IRES-24 (indicators of rehabilitation status): pain, somatic health, psychological well-being and depression as well as anxiety on the Hospital Anxiety and Depression Scale). The outcome of in-patient rehabilitation in elderly patients can be comprehensively assessed by the identification of appropriate key areas, that is, cardiovascular risk factors, exercise capacity and subjective health. This may well serve as a benchmark for internal and external quality management.

Effects of correlated parameters and uncertainty in electronic-structure-based chemical kinetic modelling

NASA Astrophysics Data System (ADS)

Sutton, Jonathan E.; Guo, Wei; Katsoulakis, Markos A.; Vlachos, Dionisios G.

2016-04-01

Kinetic models based on first principles are becoming common place in heterogeneous catalysis because of their ability to interpret experimental data, identify the rate-controlling step, guide experiments and predict novel materials. To overcome the tremendous computational cost of estimating parameters of complex networks on metal catalysts, approximate quantum mechanical calculations are employed that render models potentially inaccurate. Here, by introducing correlative global sensitivity analysis and uncertainty quantification, we show that neglecting correlations in the energies of species and reactions can lead to an incorrect identification of influential parameters and key reaction intermediates and reactions. We rationalize why models often underpredict reaction rates and show that, despite the uncertainty being large, the method can, in conjunction with experimental data, identify influential missing reaction pathways and provide insights into the catalyst active site and the kinetic reliability of a model. The method is demonstrated in ethanol steam reforming for hydrogen production for fuel cells.

Magnetic Structure and Quadrupolar Order Parameter Driven by Geometrical Frustration Effect in NdB 4

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

Yamauchi, Hiroki; Metoki, Naoto; Watanuki, Ryuta

2017-04-15

Neutron diffraction experiments have been carried out to characterize the magnetic structures and order parameters in an intermediate phase of NdB 4 showing the successive phase transitions at T 0 = 17.2 K, T N1 = 7.0 K, and T N2 = 4.8 K. We have revealed the antiferromagnetic ordering with the propagation vectors q0=(0,0,0), q0 and qs1=(δ,δ,0.4) (δ ~ 0.14), and q 0 and q s2=(0.2,0,0.4) in phase II (T N1 < T < T 0), phase III (T N2 < T < T N1), and phase IV (T < T N2), respectively. The observed patterns in phase IImore » are successfully explained by postulating a coplanar structure with static magnetic moments in the tetragonal ab-plane. We have found that the magnetic structure in phase II can be uniquely determined to be a linear combination of antiferromagnetic “all-in/all-out”-type (Γ 4) and “vortex”-type (Γ 2) structures, consisting of a Γ 4 main component (77%) with a small amplitude of Γ 2 (23%). Finally, we propose that the quadrupolar interaction holds the key to stabilizing the noncollinear magnetic structure and quadrupolar order. Here, the frustration in the Shastry–Sutherland lattice would play an essential role in suppressing the dominance of the magnetic interaction.« less

Magnetic Structure and Quadrupolar Order Parameter Driven by Geometrical Frustration Effect in NdB4

NASA Astrophysics Data System (ADS)

Yamauchi, Hiroki; Metoki, Naoto; Watanuki, Ryuta; Suzuki, Kazuya; Fukazawa, Hiroshi; Chi, Songxue; Fernandez-Baca, Jaime A.

2017-04-01

Neutron diffraction experiments have been carried out to characterize the magnetic structures and order parameters in an intermediate phase of NdB4 showing the successive phase transitions at T0 = 17.2 K, TN1 = 7.0 K, and TN2 = 4.8 K. We have revealed the antiferromagnetic ordering with the propagation vectors q0 = (0,0,0), q0 and qs1 = (δ ,δ ,0.4) (δ ˜ 0.14), and q0 and qs2 = (0.2,0,0.4) in phase II (TN1 < T < T0), phase III (TN2 < T < TN1), and phase IV (T < TN2), respectively. The observed patterns in phase II are successfully explained by postulating a coplanar structure with static magnetic moments in the tetragonal ab-plane. We have found that the magnetic structure in phase II can be uniquely determined to be a linear combination of antiferromagnetic "all-in/all-out"-type (Γ4) and "vortex"-type (Γ2) structures, consisting of a Γ4 main component (77%) with a small amplitude of Γ2 (23%). We propose that the quadrupolar interaction holds the key to stabilizing the noncollinear magnetic structure and quadrupolar order. Here, the frustration in the Shastry-Sutherland lattice would play an essential role in suppressing the dominance of the magnetic interaction.

Predicting acidification recovery at the Hubbard Brook Experimental Forest, New Hampshire: evaluation of four models.

PubMed

Tominaga, Koji; Aherne, Julian; Watmough, Shaun A; Alveteg, Mattias; Cosby, Bernard J; Driscoll, Charles T; Posch, Maximilian; Pourmokhtarian, Afshin

2010-12-01

The performance and prediction uncertainty (owing to parameter and structural uncertainties) of four dynamic watershed acidification models (MAGIC, PnET-BGC, SAFE, and VSD) were assessed by systematically applying them to data from the Hubbard Brook Experimental Forest (HBEF), New Hampshire, where long-term records of precipitation and stream chemistry were available. In order to facilitate systematic evaluation, Monte Carlo simulation was used to randomly generate common model input data sets (n = 10,000) from parameter distributions; input data were subsequently translated among models to retain consistency. The model simulations were objectively calibrated against observed data (streamwater: 1963-2004, soil: 1983). The ensemble of calibrated models was used to assess future response of soil and stream chemistry to reduced sulfur deposition at the HBEF. Although both hindcast (1850-1962) and forecast (2005-2100) predictions were qualitatively similar across the four models, the temporal pattern of key indicators of acidification recovery (stream acid neutralizing capacity and soil base saturation) differed substantially. The range in predictions resulted from differences in model structure and their associated posterior parameter distributions. These differences can be accommodated by employing multiple models (ensemble analysis) but have implications for individual model applications.

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

Vrugt, Jasper A; Robinson, Bruce A; Ter Braak, Cajo J F

In recent years, a strong debate has emerged in the hydrologic literature regarding what constitutes an appropriate framework for uncertainty estimation. Particularly, there is strong disagreement whether an uncertainty framework should have its roots within a proper statistical (Bayesian) context, or whether such a framework should be based on a different philosophy and implement informal measures and weaker inference to summarize parameter and predictive distributions. In this paper, we compare a formal Bayesian approach using Markov Chain Monte Carlo (MCMC) with generalized likelihood uncertainty estimation (GLUE) for assessing uncertainty in conceptual watershed modeling. Our formal Bayesian approach is implemented usingmore » the recently developed differential evolution adaptive metropolis (DREAM) MCMC scheme with a likelihood function that explicitly considers model structural, input and parameter uncertainty. Our results demonstrate that DREAM and GLUE can generate very similar estimates of total streamflow uncertainty. This suggests that formal and informal Bayesian approaches have more common ground than the hydrologic literature and ongoing debate might suggest. The main advantage of formal approaches is, however, that they attempt to disentangle the effect of forcing, parameter and model structural error on total predictive uncertainty. This is key to improving hydrologic theory and to better understand and predict the flow of water through catchments.« less

On decoupling of volatility smile and term structure in inverse option pricing

NASA Astrophysics Data System (ADS)

Egger, Herbert; Hein, Torsten; Hofmann, Bernd

2006-08-01

Correct pricing of options and other financial derivatives is of great importance to financial markets and one of the key subjects of mathematical finance. Usually, parameters specifying the underlying stochastic model are not directly observable, but have to be determined indirectly from observable quantities. The identification of local volatility surfaces from market data of European vanilla options is one very important example of this type. As with many other parameter identification problems, the reconstruction of local volatility surfaces is ill-posed, and reasonable results can only be achieved via regularization methods. Moreover, due to the sparsity of data, the local volatility is not uniquely determined, but depends strongly on the kind of regularization norm used and a good a priori guess for the parameter. By assuming a multiplicative structure for the local volatility, which is motivated by the specific data situation, the inverse problem can be decomposed into two separate sub-problems. This removes part of the non-uniqueness and allows us to establish convergence and convergence rates under weak assumptions. Additionally, a numerical solution of the two sub-problems is much cheaper than that of the overall identification problem. The theoretical results are illustrated by numerical tests.

In vivo quantitative evaluation of vascular parameters for angiogenesis based on sparse principal component analysis and aggregated boosted trees

NASA Astrophysics Data System (ADS)

Zhao, Fengjun; Liu, Junting; Qu, Xiaochao; Xu, Xianhui; Chen, Xueli; Yang, Xiang; Cao, Feng; Liang, Jimin; Tian, Jie

2014-12-01

To solve the multicollinearity issue and unequal contribution of vascular parameters for the quantification of angiogenesis, we developed a quantification evaluation method of vascular parameters for angiogenesis based on in vivo micro-CT imaging of hindlimb ischemic model mice. Taking vascular volume as the ground truth parameter, nine vascular parameters were first assembled into sparse principal components (PCs) to reduce the multicolinearity issue. Aggregated boosted trees (ABTs) were then employed to analyze the importance of vascular parameters for the quantification of angiogenesis via the loadings of sparse PCs. The results demonstrated that vascular volume was mainly characterized by vascular area, vascular junction, connectivity density, segment number and vascular length, which indicated they were the key vascular parameters for the quantification of angiogenesis. The proposed quantitative evaluation method was compared with both the ABTs directly using the nine vascular parameters and Pearson correlation, which were consistent. In contrast to the ABTs directly using the vascular parameters, the proposed method can select all the key vascular parameters simultaneously, because all the key vascular parameters were assembled into the sparse PCs with the highest relative importance.

Grating-assisted surface acoustic wave directional couplers

NASA Astrophysics Data System (ADS)

Golan, G.; Griffel, G.; Seidman, A.; Croitoru, N.

1991-07-01

Physical properties of novel grating-assisted Y directional couplers are examined using the coupled-mode theory. A general formalism for the analysis of the lateral perturbed directional coupler properties is presented. Explicit expressions for waveguide key parameters such as coupling length, grating period, and other structural characterizations, are obtained. The influence of other physical properties such as time and frequency response or cutoff conditions are also analyzed. A plane grating-assisted directional coupler is presented and examined as a basic component in the integrated acoustic technology.

Improvement in hardness of soda-lime-silica glass

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

Chakraborty, Riya; De, Moumita; Roy, Sudakshina

2012-06-05

Hardness is a key design parameter for structural application of brittle solids like glass. Here we report for the first time the significant improvement of about 10% in Vicker's hardness of a soda-lime-silica glass with loading rate in the range of 0.1-10 N.s{sup -1}. Corroborative dark field optical and scanning electron microscopy provided clue to this improvement through evidence of variations in spatial density of shear deformation band formation as a function of loading rate.

HAZ and Structural Defects Control in Key-Hole Welding of Titanium Using a Reptitively-Pulsed Nd: Yag Laser

NASA Astrophysics Data System (ADS)

Hamudi, Walid K.

1996-12-01

HAZ, porosity and cracks were investigated when welding 0.9 mm thick titanium sheets using a 10 J pulsed Nd: Yag laser. The effects of welding speed, joints fit-up, shielding gas, and laser parameters are presented. For optimum welding quality, 0.25 m/min scanning speed, 10 ℓ/min gas flow rate and 72 Watt average power were used. Welds of narrow heat affected zone (HAZ) with small level of porosity were obtained.

MODELING MICROBUBBLE DYNAMICS IN BIOMEDICAL APPLICATIONS*

PubMed Central

CHAHINE, Georges L.; HSIAO, Chao-Tsung

2012-01-01

Controlling microbubble dynamics to produce desirable biomedical outcomes when and where necessary and avoid deleterious effects requires advanced knowledge, which can be achieved only through a combination of experimental and numerical/analytical techniques. The present communication presents a multi-physics approach to study the dynamics combining viscous- in-viscid effects, liquid and structure dynamics, and multi bubble interaction. While complex numerical tools are developed and used, the study aims at identifying the key parameters influencing the dynamics, which need to be included in simpler models. PMID:22833696

Adsorption of dextrin on hydrophobic minerals.

PubMed

Beaussart, Audrey; Mierczynska-Vasilev, Agnieszka; Beattie, David A

2009-09-01

The adsorption of dextrin on talc, molybdenite, and graphite (three naturally hydrophobic minerals) has been compared. Adsorption isotherms and in situ tapping mode atomic force microscope (TMAFM) imaging have enabled polymer adsorbed amount and morphology of the adsorbed layer (area coverage and polymer domain size) to be determined and also the amount of hydration water in the structure of the adsorbed layer. The effect of the polymer on the mineral contact angles, measured by the captive bubble method on cleaved mineral surfaces, indicates clear correlations between the hydrophobicity reduction of the minerals, the adsorbed amount, and the surface coverage of the adsorbed polymer. Predictions of the flotation recovery of the treated mineral phases have been confirmed by performing batch flotation experiments. The influence of the polymer surface coverage on flotation recovery has highlighted the importance of this key parameter in the predictions of depressant efficiency. The roles of the initial hydrophobicity and the surface structure of the mineral basal plane in determining adsorption parameters and flotation response of the polymer-treated minerals are also discussed.

Bridging the gap between theoretical ecology and real ecosystems: modeling invertebrate community composition in streams.

PubMed

Schuwirth, Nele; Reichert, Peter

2013-02-01

For the first time, we combine concepts of theoretical food web modeling, the metabolic theory of ecology, and ecological stoichiometry with the use of functional trait databases to predict the coexistence of invertebrate taxa in streams. We developed a mechanistic model that describes growth, death, and respiration of different taxa dependent on various environmental influence factors to estimate survival or extinction. Parameter and input uncertainty is propagated to model results. Such a model is needed to test our current quantitative understanding of ecosystem structure and function and to predict effects of anthropogenic impacts and restoration efforts. The model was tested using macroinvertebrate monitoring data from a catchment of the Swiss Plateau. Even without fitting model parameters, the model is able to represent key patterns of the coexistence structure of invertebrates at sites varying in external conditions (litter input, shading, water quality). This confirms the suitability of the model concept. More comprehensive testing and resulting model adaptations will further increase the predictive accuracy of the model.

Covariance Partition Priors: A Bayesian Approach to Simultaneous Covariance Estimation for Longitudinal Data.

PubMed

Gaskins, J T; Daniels, M J

2016-01-02

The estimation of the covariance matrix is a key concern in the analysis of longitudinal data. When data consists of multiple groups, it is often assumed the covariance matrices are either equal across groups or are completely distinct. We seek methodology to allow borrowing of strength across potentially similar groups to improve estimation. To that end, we introduce a covariance partition prior which proposes a partition of the groups at each measurement time. Groups in the same set of the partition share dependence parameters for the distribution of the current measurement given the preceding ones, and the sequence of partitions is modeled as a Markov chain to encourage similar structure at nearby measurement times. This approach additionally encourages a lower-dimensional structure of the covariance matrices by shrinking the parameters of the Cholesky decomposition toward zero. We demonstrate the performance of our model through two simulation studies and the analysis of data from a depression study. This article includes Supplementary Material available online.

Removable polytetrafluoroethylene template based epitaxy of ferroelectric copolymer thin films

NASA Astrophysics Data System (ADS)

Xia, Wei; Chen, Qiusong; Zhang, Jian; Wang, Hui; Cheng, Qian; Jiang, Yulong; Zhu, Guodong

2018-04-01

In recent years ferroelectric polymers have shown their great potentials in organic and flexible electronics. To meet the requirements of high-performance and low energy consumption of novel electronic devices and systems, structural and electrical properties of ferroelectric polymer thin films are expected to be further optimized. One possible way is to realize epitaxial growth of ferroelectric thin films via removable high-ordered polytetrafluoroethylene (PTFE) templates. Here two key parameters in epitaxy process, annealing temperature and applied pressure, are systematically studied and thus optimized through structural and electrical measurements of ferroelectric copolymer thin films. Experimental results indicate that controlled epitaxial growth is realized via suitable combination of both parameters. Annealing temperature above the melting point of ferroelectric copolymer films is required, and simultaneously moderate pressure (around 2.0 MPa here) should be applied. Over-low pressure (around 1.0 MPa here) usually results in the failure of epitaxy process, while over-high pressure (around 3.0 MPa here) often results in residual of PTFE templates on ferroelectric thin films.

Target-in-the-loop remote sensing of laser beam and atmospheric turbulence characteristics.

PubMed

Vorontsov, Mikhail A; Lachinova, Svetlana L; Majumdar, Arun K

2016-07-01

A new target-in-the-loop (TIL) atmospheric sensing concept for in situ remote measurements of major laser beam characteristics and atmospheric turbulence parameters is proposed and analyzed numerically. The technique is based on utilization of an integral relationship between complex amplitudes of the counterpropagating optical waves known as overlapping integral or interference metric, whose value is preserved along the propagation path. It is shown that the interference metric can be directly measured using the proposed TIL sensing system composed of a single-mode fiber-based optical transceiver and a remotely located retro-target. The measured signal allows retrieval of key beam and atmospheric turbulence characteristics including scintillation index and the path-integrated refractive index structure parameter.

Low Velocity Earth-Penetration Test and Analysis

NASA Technical Reports Server (NTRS)

Fasanella, Edwin L.; Jones, Yvonne; Knight, Norman F., Jr.; Kellas, Sotiris

2001-01-01

Modeling and simulation of structural impacts into soil continue to challenge analysts to develop accurate material models and detailed analytical simulations to predict the soil penetration event. This paper discusses finite element modeling of a series of penetrometer drop tests into soft clay. Parametric studies are performed with penetrometers of varying diameters, masses, and impact speeds to a maximum of 45 m/s. Parameters influencing the simulation such as the contact penalty factor and the material model representing the soil are also studied. An empirical relationship between key parameters is developed and is shown to correlate experimental and analytical results quite well. The results provide preliminary design guidelines for Earth impact that may be useful for future space exploration sample return missions.

Anisotropic dependence of the magnetic transition on uniaxial pressure in the Kondo semiconductors Ce T2A l10 (T =Ru and Os)

NASA Astrophysics Data System (ADS)

Hayashi, K.; Umeo, K.; Takeuchi, T.; Kawabata, J.; Muro, Y.; Takabatake, T.

2017-12-01

We have measured the strain, magnetization, and specific heat of the antiferromagnetic (AFM) Kondo semiconductors Ce T2A l10 (T =Ru and Os) under uniaxial pressures applied along the orthorhombic axes. We found a linear dependence of TN on the b -axis parameter for both compounds under uniaxial pressure P ∥b and hydrostatic pressure. This relation indicates that the distance between the Ce-T layers along the b axis is the key structural parameter determining TN. Furthermore, the pressure dependence of the spin-flop transition field indicates that Ce-Ce interchain interactions stabilize the AFM state with the ordered moments pointing to the c axis.

Untangling Galaxy Components - The Angular Momentum Parameter

NASA Astrophysics Data System (ADS)

Tabor, Martha; Merrifield, Michael; Aragon-Salamanca, Alfonso

2017-06-01

We have developed a new technique to decompose Integral Field spectral data cubes into separate bulge and disk components, allowing us to study the kinematic and stellar population properties of the individual components and how they vary with position. We present here the application of this method to a sample of fast rotator early type galaxies from the MaNGA integral field survey, and demonstrate how it can be used to explore key properties of the individual components. By extracting ages, metallicities and the angular momentum parameter lambda of the bulges and disks, we show how this method can give us new insights into the underlying structure of the galaxies and discuss what this can tell us about their evolution history.

Laser contrast and other key parameters enhancing the laser conversion efficiency in ion acceleration regime

NASA Astrophysics Data System (ADS)

Torrisi, Lorenzo

2018-01-01

Measurements of ion acceleration in plasma produced by fs lasers at intensity of the order of 1018 W/cm2 have been performed in different European laboratories. The forward emission in target-normal-sheath-acceleration (TNSA) regime indicated that the maximum energy is a function of the laser parameters, of the irradiation conditions and of the target properties.In particular the laser intensity and contrast play an important role to maximize the ion acceleration enhancing the conversion efficiency. Also the use of suitable prepulses, focal distances and polarized laser light has important roles. Finally the target composition, surface, geometry and multilayered structure, permit to enhance the electric field driving the forward ion acceleration.Experimental measurements will be reported and discussed.

Parameter Stability of the Functional–Structural Plant Model GREENLAB as Affected by Variation within Populations, among Seasons and among Growth Stages

PubMed Central

Ma, Yuntao; Li, Baoguo; Zhan, Zhigang; Guo, Yan; Luquet, Delphine; de Reffye, Philippe; Dingkuhn, Michael

2007-01-01

Background and Aims It is increasingly accepted that crop models, if they are to simulate genotype-specific behaviour accurately, should simulate the morphogenetic process generating plant architecture. A functional–structural plant model, GREENLAB, was previously presented and validated for maize. The model is based on a recursive mathematical process, with parameters whose values cannot be measured directly and need to be optimized statistically. This study aims at evaluating the stability of GREENLAB parameters in response to three types of phenotype variability: (1) among individuals from a common population; (2) among populations subjected to different environments (seasons); and (3) among different development stages of the same plants. Methods Five field experiments were conducted in the course of 4 years on irrigated fields near Beijing, China. Detailed observations were conducted throughout the seasons on the dimensions and fresh biomass of all above-ground plant organs for each metamer. Growth stage-specific target files were assembled from the data for GREENLAB parameter optimization. Optimization was conducted for specific developmental stages or the entire growth cycle, for individual plants (replicates), and for different seasons. Parameter stability was evaluated by comparing their CV with that of phenotype observation for the different sources of variability. A reduced data set was developed for easier model parameterization using one season, and validated for the four other seasons. Key Results and Conclusions The analysis of parameter stability among plants sharing the same environment and among populations grown in different environments indicated that the model explains some of the inter-seasonal variability of phenotype (parameters varied less than the phenotype itself), but not inter-plant variability (parameter and phenotype variability were similar). Parameter variability among developmental stages was small, indicating that parameter values were largely development-stage independent. The authors suggest that the high level of parameter stability observed in GREENLAB can be used to conduct comparisons among genotypes and, ultimately, genetic analyses. PMID:17158141

Modeling flow and solute transport at a tile drain field site by explicit representation of preferential flow structures: Equifinality and uncertainty

NASA Astrophysics Data System (ADS)

Zehe, E.; Klaus, J.

2011-12-01

Rapid flow in connected preferential flow paths is crucial for fast transport of water and solutes through soils, especially at tile drained field sites. The present study tests whether an explicit treatment of worm burrows is feasible for modeling water flow, bromide and pesticide transport in structured heterogeneous soils with a 2-dimensional Richards based model. The essence is to represent worm burrows as morphologically connected paths of low flow resistance and low retention capacity in the spatially highly resolved model domain. The underlying extensive database to test this approach was collected during an irrigation experiment, which investigated transport of bromide and the herbicide Isoproturon at a 900 sqm tile drained field site. In a first step we investigated whether the inherent uncertainty in key data causes equifinality i.e. whether there are several spatial model setups that reproduce tile drain event discharge in an acceptable manner. We found a considerable equifinality in the spatial setup of the model, when key parameters such as the area density of worm burrows and the maximum volumetric water flows inside these macropores were varied within the ranges of either our measurement errors or measurements reported in the literature. Thirteen model runs yielded a Nash-Sutcliffe coefficient of more than 0.9. Also, the flow volumes were in good accordance and peak timing errors where less than or equal to 20 min. In the second step we investigated thus whether this "equifinality" in spatial model setups may be reduced when including the bromide tracer data into the model falsification process. We simulated transport of bromide for the 13 spatial model setups, which performed best with respect to reproduce tile drain event discharge, without any further calibration. Four of this 13 model setups allowed to model bromide transport within fixed limits of acceptability. Parameter uncertainty and equifinality could thus be reduced. Thirdly, we selected one of those four setups for simulating transport of Isoproturon, which was applied the day before the irrigation experiment, and tested different parameter combinations to characterise adsorption according to the footprint data base. Simulations could, however, only reproduce the observed event based leaching behaviour, when we allowed for retardation coefficients that were very close to one. This finding is consistent with observations various field observations. We conclude: a) A realistic representation of dominating structures and their topology is of key importance for predicting preferential water and mass flows at tile drained hillslopes. b) Parameter uncertainty and equifinality could be reduced, but a system inherent equifinality in a 2-dimensional Richards based model has to be accepted.

VP-Nets : Efficient automatic localization of key brain structures in 3D fetal neurosonography.

PubMed

Huang, Ruobing; Xie, Weidi; Alison Noble, J

2018-04-23

Three-dimensional (3D) fetal neurosonography is used clinically to detect cerebral abnormalities and to assess growth in the developing brain. However, manual identification of key brain structures in 3D ultrasound images requires expertise to perform and even then is tedious. Inspired by how sonographers view and interact with volumes during real-time clinical scanning, we propose an efficient automatic method to simultaneously localize multiple brain structures in 3D fetal neurosonography. The proposed View-based Projection Networks (VP-Nets), uses three view-based Convolutional Neural Networks (CNNs), to simplify 3D localizations by directly predicting 2D projections of the key structures onto three anatomical views. While designed for efficient use of data and GPU memory, the proposed VP-Nets allows for full-resolution 3D prediction. We investigated parameters that influence the performance of VP-Nets, e.g. depth and number of feature channels. Moreover, we demonstrate that the model can pinpoint the structure in 3D space by visualizing the trained VP-Nets, despite only 2D supervision being provided for a single stream during training. For comparison, we implemented two other baseline solutions based on Random Forest and 3D U-Nets. In the reported experiments, VP-Nets consistently outperformed other methods on localization. To test the importance of loss function, two identical models are trained with binary corss-entropy and dice coefficient loss respectively. Our best VP-Net model achieved prediction center deviation: 1.8 ± 1.4 mm, size difference: 1.9 ± 1.5 mm, and 3D Intersection Over Union (IOU): 63.2 ± 14.7% when compared to the ground truth. To make the whole pipeline intervention free, we also implement a skull-stripping tool using 3D CNN, which achieves high segmentation accuracy. As a result, the proposed processing pipeline takes a raw ultrasound brain image as input, and output a skull-stripped image with five detected key brain structures. Copyright © 2018 Elsevier B.V. All rights reserved.

Controlling the shape of membrane protein polyhedra

NASA Astrophysics Data System (ADS)

Li, Di; Kahraman, Osman; Haselwandter, Christoph A.

2017-03-01

Membrane proteins and lipids can self-assemble into membrane protein polyhedral nanoparticles (MPPNs). MPPNs have a closed spherical surface and a polyhedral protein arrangement, and may offer a new route for structure determination of membrane proteins and targeted drug delivery. We develop here a general analytic model of how MPPN self-assembly depends on bilayer-protein interactions and lipid bilayer mechanical properties. We find that the bilayer-protein hydrophobic thickness mismatch is a key molecular control parameter for MPPN shape that can be used to bias MPPN self-assembly towards highly symmetric and uniform MPPN shapes. Our results suggest strategies for optimizing MPPN shape for structural studies of membrane proteins and targeted drug delivery.

Conduction band edge effective mass of La-doped BaSnO{sub 3}

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

James Allen, S., E-mail: allen@itst.ucsb.edu; Law, Ka-Ming; Raghavan, Santosh

2016-06-20

BaSnO{sub 3} has attracted attention as a promising material for applications requiring wide band gap, high electron mobility semiconductors, and moreover possesses the same perovskite crystal structure as many functional oxides. A key parameter for these applications and for the interpretation of its properties is the conduction band effective mass. We measure the plasma frequency of La-doped BaSnO{sub 3} thin films by glancing incidence, parallel-polarized resonant reflectivity. Using the known optical dielectric constant and measured electron density, the resonant frequency determines the band edge electron mass to be 0.19 ± 0.01. The results allow for testing band structure calculations and transport models.

Fine-tuning key parameters of an integrated reactor system for the simultaneous removal of COD, sulfate and ammonium and elemental sulfur reclamation.

PubMed

Yuan, Ye; Chen, Chuan; Liang, Bin; Huang, Cong; Zhao, Youkang; Xu, Xijun; Tan, Wenbo; Zhou, Xu; Gao, Shuang; Sun, Dezhi; Lee, Duujong; Zhou, Jizhong; Wang, Aijie

2014-03-30

In this paper, we proposed an integrated reactor system for simultaneous removal of COD, sulfate and ammonium (integrated C-S-N removal system) and investigated the key parameters of the system for a high level of elemental sulfur (S(0)) production. The system consisted of 4 main units: sulfate reduction and organic carbon removal (SR-CR), autotrophic and heterotrophic denitrifying sulfide removal (A&H-DSR), sulfur reclamation (SR), and aerated filter for aerobic nitrification (AN). In the system, the effects of key operational parameters on production of elemental sulfur were investigated, including hydraulic retention time (HRT) of each unit, sulfide/nitrate (S(2-)-S/NO3(-)-N) ratios, reflux ratios between the A&H-DSR and AN units, and loading rates of chemical oxygen demand (COD), sulfate and ammonium. Physico-chemical characteristics of biosulfur were studied for acquiring efficient S(0) recovery. The experiments successfully explored the optimum parameters for each unit and demonstrated 98% COD, 98% sulfate and 78% nitrogen removal efficiency. The optimum HRTs for SR-CR, A&H-DSR and AN were 12h, 3h and 3h, respectively. The reflux ratio of 3 could provide adequate S(2-)-S/NO3(-)-N ratio (approximately 1:1) to the A&H-DSR unit for obtaining maximum sulfur production. In this system, the maximum production of S(0) reached 90%, but only 60% S(0) was reclaimed from effluent. The S(0) that adhered to the outer layer of granules was deposited in the bottom of the A&H-DSR unit. Finally, the microbial community structure of the corresponding unit at different operational stage were analyzed by 16S rRNA gene based high throughput Illumina MiSeq sequencing and the potential function of dominant species were discussed. Copyright © 2013 Elsevier B.V. All rights reserved.

Denitrification in Agricultural Soils: Integrated control and Modelling at various scales (DASIM)

NASA Astrophysics Data System (ADS)

Müller, Christoph; Well, Reinhard; Böttcher, Jürgen; Butterbach-Bahl, Klaus; Dannenmann, Michael; Deppe, Marianna; Dittert, Klaus; Dörsch, Peter; Horn, Marcus; Ippisch, Olaf; Mikutta, Robert; Senbayram, Mehmet; Vogel, Hans-Jörg; Wrage-Mönnig, Nicole; Müller, Carsten

2016-04-01

The new research unit DASIM brings together the expertise of 11 working groups to study the process of denitrification at unprecedented spatial and temporal resolution. Based on state-of-the art analytical techniques our aim is to develop improved denitrification models ranging from the microscale to the field/plot scale. Denitrification, the process of nitrate reduction allowing microbes to sustain respiration under anaerobic conditions, is the key process returning reactive nitrogen as N2to the atmosphere. Actively denitrifying communities in soil show distinct regulatory phenotypes (DRP) with characteristic controls on the single reaction steps and end-products. It is unresolved whether DRPs are anchored in the taxonomic composition of denitrifier communities and how environmental conditions shape them. Despite being intensively studied for more than 100 years, denitrification rates and emissions of its gaseous products can still not be satisfactorily predicted. While the impact of single environmental parameters is well understood, the complexity of the process itself with its intricate cellular regulation in response to highly variable factors in the soil matrix prevents robust prediction of gaseous emissions. Key parameters in soil are pO2, organic matter content and quality, pH and the microbial community structure, which in turn are affected by the soil structure, chemistry and soil-plant interactions. In the DASIM research unit, we aim at the quantitative prediction of denitrification rates as a function of microscale soil structure, organic matter quality, DRPs and atmospheric boundary conditions via a combination of state-of-the-art experimental and analytical tools (X-ray μCT, 15N tracing, NanoSIMS, microsensors, advanced flux detection, NMR spectroscopy, and molecular methods including next generation sequencing of functional gene transcripts). We actively seek collaboration with researchers working in the field of denitrification.

Containerless processing of undercooled melts

NASA Technical Reports Server (NTRS)

Perepezko, J. H.

1993-01-01

The investigation focused on the control of microstructural evolution in Mn-Al, Fe-Ni, Ni-V, and Au-Pb-Sb alloys through the high undercooling levels provided by containerless processing, and provided fundamental new information on the control of nucleation. Solidification analysis was conducted by means of thermal analysis, x-ray diffraction, and metallographic characterization on samples processed in a laboratory scale drop tube system. The Mn-Al alloy system offers a useful model system with the capability of phase separation on an individual particle basis, thus permitting a more complete understanding of the operative kinetics and the key containerless processing variables. This system provided the opportunity of analyzing the nucleation rate as a function of processing conditions and allowed for the quantitative assessment of the relevant processing parameters. These factors are essential in the development of a containerless processing model which has a predictive capability. Similarly, Ni-V is a model system that was used to study duplex partitionless solidification, which is a structure possible only in high under cooling solidification processes. Nucleation kinetics for the competing bcc and fcc phases were studied to determine how this structure can develop and the conditions under which it may occur. The Fe-Ni alloy system was studied to identify microstructural transitions with controlled variations in sample size and composition during containerless solidification. This work was forwarded to develop a microstructure map which delineates regimes of structural evolution and provides a unified analysis of experimental observations. The Au-Pb-Sb system was investigated to characterize the thermodynamic properties of the undercooled liquid phase and to characterize the glass transition under a variety of processing conditions. By analyzing key containerless processing parameters in a ground based drop tube study, a carefully designed flight experiment may be planned to utilize the extended duration microgravity conditions of orbiting spacecraft.

Determination of key parameters of vector multifractal vector fields

NASA Astrophysics Data System (ADS)

Schertzer, D. J. M.; Tchiguirinskaia, I.

2017-12-01

For too long time, multifractal analyses and simulations have been restricted to scalar-valued fields (Schertzer and Tchiguirinskaia, 2017a,b). For instance, the wind velocity multifractality has been mostly analysed in terms of scalar structure functions and with the scalar energy flux. This restriction has had the unfortunate consequences that multifractals were applicable to their full extent in geophysics, whereas it has inspired them. Indeed a key question in geophysics is the complexity of the interactions between various fields or they components. Nevertheless, sophisticated methods have been developed to determine the key parameters of scalar valued fields. In this communication, we first present the vector extensions of the universal multifractal analysis techniques to multifractals whose generator belong to a Levy-Clifford algebra (Schertzer and Tchiguirinskaia, 2015). We point out further extensions noting the increased complexity. For instance, the (scalar) index of multifractality becomes a matrice. Schertzer, D. and Tchiguirinskaia, I. (2015) `Multifractal vector fields and stochastic Clifford algebra', Chaos: An Interdisciplinary Journal of Nonlinear Science, 25(12), p. 123127. doi: 10.1063/1.4937364. Schertzer, D. and Tchiguirinskaia, I. (2017) `An Introduction to Multifractals and Scale Symmetry Groups', in Ghanbarian, B. and Hunt, A. (eds) Fractals: Concepts and Applications in Geosciences. CRC Press, p. (in press). Schertzer, D. and Tchiguirinskaia, I. (2017b) `Pandora Box of Multifractals: Barely Open ?', in Tsonis, A. A. (ed.) 30 Years of Nonlinear Dynamics in Geophysics. Berlin: Springer, p. (in press).

A review of international pharmacy-based minor ailment services and proposed service design model.

PubMed

Aly, Mariyam; García-Cárdenas, Victoria; Williams, Kylie; Benrimoj, Shalom I

2018-01-05

The need to consider sustainable healthcare solutions is essential. An innovative strategy used to promote minor ailment care is the utilisation of community pharmacists to deliver minor ailment services (MASs). Promoting higher levels of self-care can potentially reduce the strain on existing resources. To explore the features of international MASs, including their similarities and differences, and consider the essential elements to design a MAS model. A grey literature search strategy was completed in June 2017 to comply with the Preferred Reporting Items for Systematic Reviews and Meta-Analyses standard. This included (1) Google/Yahoo! search engines, (2) targeted websites, and (3) contact with commissioning organisations. Executive summaries, table of contents and title pages of documents were reviewed. Key characteristics of MASs were extracted and a MAS model was developed. A total of 147 publications were included in the review. Key service elements identified included eligibility, accessibility, staff involvement, reimbursement systems. Several factors need to be considered when designing a MAS model; including contextualisation of MAS to the market. Stakeholder engagement, service planning, governance, implementation and review have emerged as key aspects involved with a design model. MASs differ in their structural parameters. Consideration of these parameters is necessary when devising MAS aims and assessing outcomes to promote sustainability and success of the service. Copyright © 2018 Elsevier Inc. All rights reserved.

Glass Forming Ability in Systems with Competing Orderings

NASA Astrophysics Data System (ADS)

Russo, John; Romano, Flavio; Tanaka, Hajime

2018-04-01

Some liquids, if cooled rapidly enough to avoid crystallization, can be frozen into a nonergodic glassy state. The tendency for a material to form a glass when quenched is called "glass-forming ability," and it is of key significance both fundamentally and for materials science applications. Here, we consider liquids with competing orderings, where an increase in the glass-forming ability is signaled by a depression of the melting temperature towards its minimum at triple or eutectic points. With simulations of two model systems where glass-forming ability can be tuned by an external parameter, we are able to interpolate between crystal-forming and glass-forming behavior. We find that the enhancement of the glass-forming ability is caused by an increase in the structural difference between liquid and crystal: stronger competition in orderings towards the melting point minimum makes a liquid structure more disordered (more complex). This increase in the liquid-crystal structure difference can be described by a single adimensional parameter, i.e., the interface energy cost scaled by the thermal energy, which we call the "thermodynamic interface penalty." Our finding may provide a general physical principle for not only controlling the glass-forming ability but also the emergence of glassy behavior of various systems with competing orderings, including orderings of structural, magnetic, electronic, charge, and dipolar origin.

Examination of Short- and Long-Range Atomic Order Nanocrystalline SiC and Diamond by Powder Diffraction Methods

NASA Technical Reports Server (NTRS)

Palosz, B.; Grzanka, E.; Stelmakh, S.; Gierlotka, S.; Weber, H.-P.; Proffen, T.; Palosz, W.

2002-01-01

The real atomic structure of nanocrystals determines unique, key properties of the materials. Determination of the structure presents a challenge due to inherent limitations of standard powder diffraction techniques when applied to nanocrystals. Alternate methodology of the structural analysis of nanocrystals (several nanometers in size) based on Bragg-like scattering and called the "apparent lattice parameter" (alp) is proposed. Application of the alp methodology to examination of the core-shell model of nanocrystals will be presented. The results of application of the alp method to structural analysis of several nanopowders were complemented by those obtained by determination of the Atomic Pair Distribution Function, PDF. Based on synchrotron and neutron diffraction data measured in a large diffraction vector of up to Q = 25 Angstroms(exp -1), the surface stresses in nanocrystalline diamond and SiC were evaluated.

Robust estimation of fractal measures for characterizing the structural complexity of the human brain: optimization and reproducibility

PubMed Central

Goñi, Joaquín; Sporns, Olaf; Cheng, Hu; Aznárez-Sanado, Maite; Wang, Yang; Josa, Santiago; Arrondo, Gonzalo; Mathews, Vincent P; Hummer, Tom A; Kronenberger, William G; Avena-Koenigsberger, Andrea; Saykin, Andrew J.; Pastor, María A.

2013-01-01

High-resolution isotropic three-dimensional reconstructions of human brain gray and white matter structures can be characterized to quantify aspects of their shape, volume and topological complexity. In particular, methods based on fractal analysis have been applied in neuroimaging studies to quantify the structural complexity of the brain in both healthy and impaired conditions. The usefulness of such measures for characterizing individual differences in brain structure critically depends on their within-subject reproducibility in order to allow the robust detection of between-subject differences. This study analyzes key analytic parameters of three fractal-based methods that rely on the box-counting algorithm with the aim to maximize within-subject reproducibility of the fractal characterizations of different brain objects, including the pial surface, the cortical ribbon volume, the white matter volume and the grey matter/white matter boundary. Two separate datasets originating from different imaging centers were analyzed, comprising, 50 subjects with three and 24 subjects with four successive scanning sessions per subject, respectively. The reproducibility of fractal measures was statistically assessed by computing their intra-class correlations. Results reveal differences between different fractal estimators and allow the identification of several parameters that are critical for high reproducibility. Highest reproducibility with intra-class correlations in the range of 0.9–0.95 is achieved with the correlation dimension. Further analyses of the fractal dimensions of parcellated cortical and subcortical gray matter regions suggest robustly estimated and region-specific patterns of individual variability. These results are valuable for defining appropriate parameter configurations when studying changes in fractal descriptors of human brain structure, for instance in studies of neurological diseases that do not allow repeated measurements or for disease-course longitudinal studies. PMID:23831414

Nuclear Power System Architecture and Safety Study- Feasibility of Launch Pad Explosion Simulation using Radios

NASA Astrophysics Data System (ADS)

Destefanis, Stefano; Tracino, Emanuele; Giraudo, Martina

2014-06-01

During a mission involving a spacecraft using nuclear power sources (NPS), the consequences to the population induced by an accident has to be taken into account carefully.Part of the study (led by AREVA, with TAS-I as one of the involved parties) was devoted to "Worst Case Scenario Consolidation". In particular, one of the activities carried out by TAS-I had the aim of characterizing the accidental environment (explosion on launch pad or during launch) and consolidate the requirements given as input in the study. The resulting requirements became inputs for Nuclear Power Source container design.To do so, TAS-I did first an overview of the available technical literature (mostly developed in the frame of NASA Mercury / Apollo program), to identify the key parameters to be used for analytical assessment (blast pressure wave, fragments size, speed and distribution, TNT equivalent of liquid propellant).Then, a simplified Radioss model was setup, to verify both the cards needed for blast / fragment impact analysis and the consistency between preliminary results and available technical literature (Radioss is commonly used to design mine - resistant vehicles, by simulating the effect of blasts onto structural elements, and it is used in TAS-I for several types of analysis, including land impact, water impact and fluid - structure interaction).The obtained results (albeit produced by a very simplified model) are encouraging, showing that the analytical tool and the selected key parameters represent a step in the right direction.

The effect of growth sequence on magnetization damping in Ta/CoFeB/MgO structures

NASA Astrophysics Data System (ADS)

Liu, Bo; Huang, Dawei; Gao, Ming; Tu, Hongqing; Wang, Kejie; Ruan, Xuezhong; Du, Jun; Cai, Jian-Wang; He, Liang; Wu, Jing; Wang, Xinran; Xu, Yongbing

2018-03-01

Magnetization damping is a key parameter to control the critical current and the switching speed in magnetic random access memory, and here we report the effect of the growth sequence on the magnetic dynamics properties of perpendicularly magnetized Ta/CoFeB/MgO structures. Ultrathin CoFeB films have been grown between Ta and MgO but with different stack sequences, i.e. substrate/Ta/CoFeB/MgO/Ta and substrate/Ta/MgO/CoFeB/Ta. The magnetization dynamics induced by femtosecond laser was investigated by using all-optical pump-probe measurements. We found that the Gilbert damping constant was modulated by reversing stack structures, which offers the potential to tune the damping parameter by the growth sequence. The Gilbert damping constant was enhanced from 0.017 for substrate/Ta/CoFeB/MgO/Ta to 0.027 for substrate/Ta/MgO/CoFeB/Ta. We believe that this enhancement originates from the increase of intermixing at the CoFeB/Ta when the Ta atom layer was grown after the CoFeB layer.

A longitudinal multilevel CFA-MTMM model for interchangeable and structurally different methods

PubMed Central

Koch, Tobias; Schultze, Martin; Eid, Michael; Geiser, Christian

2014-01-01

One of the key interests in the social sciences is the investigation of change and stability of a given attribute. Although numerous models have been proposed in the past for analyzing longitudinal data including multilevel and/or latent variable modeling approaches, only few modeling approaches have been developed for studying the construct validity in longitudinal multitrait-multimethod (MTMM) measurement designs. The aim of the present study was to extend the spectrum of current longitudinal modeling approaches for MTMM analysis. Specifically, a new longitudinal multilevel CFA-MTMM model for measurement designs with structurally different and interchangeable methods (called Latent-State-Combination-Of-Methods model, LS-COM) is presented. Interchangeable methods are methods that are randomly sampled from a set of equivalent methods (e.g., multiple student ratings for teaching quality), whereas structurally different methods are methods that cannot be easily replaced by one another (e.g., teacher, self-ratings, principle ratings). Results of a simulation study indicate that the parameters and standard errors in the LS-COM model are well recovered even in conditions with only five observations per estimated model parameter. The advantages and limitations of the LS-COM model relative to other longitudinal MTMM modeling approaches are discussed. PMID:24860515

Does standardised structured reporting contribute to quality in diagnostic pathology? The importance of evidence-based datasets.

PubMed

Ellis, D W; Srigley, J

2016-01-01

Key quality parameters in diagnostic pathology include timeliness, accuracy, completeness, conformance with current agreed standards, consistency and clarity in communication. In this review, we argue that with worldwide developments in eHealth and big data, generally, there are two further, often overlooked, parameters if our reports are to be fit for purpose. Firstly, population-level studies have clearly demonstrated the value of providing timely structured reporting data in standardised electronic format as part of system-wide quality improvement programmes. Moreover, when combined with multiple health data sources through eHealth and data linkage, structured pathology reports become central to population-level quality monitoring, benchmarking, interventions and benefit analyses in public health management. Secondly, population-level studies, particularly for benchmarking, require a single agreed international and evidence-based standard to ensure interoperability and comparability. This has been taken for granted in tumour classification and staging for many years, yet international standardisation of cancer datasets is only now underway through the International Collaboration on Cancer Reporting (ICCR). In this review, we present evidence supporting the role of structured pathology reporting in quality improvement for both clinical care and population-level health management. Although this review of available evidence largely relates to structured reporting of cancer, it is clear that the same principles can be applied throughout anatomical pathology generally, as they are elsewhere in the health system.

Low Velocity Impact Behavior of Basalt Fiber-Reinforced Polymer Composites

NASA Astrophysics Data System (ADS)

Shishevan, Farzin Azimpour; Akbulut, Hamid; Mohtadi-Bonab, M. A.

2017-06-01

In this research, we studied low velocity impact response of homogenous basalt fiber-reinforced polymer (BFRP) composites and then compared the impact key parameters with carbon fiber-reinforced polymer (CFRP) homogenous composites. BFRPs and CFRPs were fabricated by vacuum-assisted resin transfer molding (VARTM) method. Fabricated composites included 60% fiber and 40% epoxy matrix. Basalt and carbon fibers used as reinforcement materials were weaved in 2/2 twill textile tip in the structures of BFRP and CFRP composites. We also utilized the energy profile method to determine penetration and perforation threshold energies. The low velocity impact tests were carried out in 30, 60, 80, 100, 120 and 160 J energy magnitudes, and impact response of BFRPs was investigated by related force-deflection, force-time, deflection-time and absorbed energy-time graphics. The related impact key parameters such as maximum contact force, absorbed energy, deflection and duration time were compared with CFRPs for various impact energy levels. As a result, due to the higher toughness of basalt fibers, a better low velocity impact performance of BFRP than that of CFRP was observed. The effects of fabrication parameters, such as curing process, were studied on the low velocity impact behavior of BFRP. The results of tested new fabricated materials show that the change of fabrication process and curing conditions improves the impact behavior of BFRPs up to 13%.

Information Extraction of High Resolution Remote Sensing Images Based on the Calculation of Optimal Segmentation Parameters

PubMed Central

Zhu, Hongchun; Cai, Lijie; Liu, Haiying; Huang, Wei

2016-01-01

Multi-scale image segmentation and the selection of optimal segmentation parameters are the key processes in the object-oriented information extraction of high-resolution remote sensing images. The accuracy of remote sensing special subject information depends on this extraction. On the basis of WorldView-2 high-resolution data, the optimal segmentation parameters methodof object-oriented image segmentation and high-resolution image information extraction, the following processes were conducted in this study. Firstly, the best combination of the bands and weights was determined for the information extraction of high-resolution remote sensing image. An improved weighted mean-variance method was proposed andused to calculatethe optimal segmentation scale. Thereafter, the best shape factor parameter and compact factor parameters were computed with the use of the control variables and the combination of the heterogeneity and homogeneity indexes. Different types of image segmentation parameters were obtained according to the surface features. The high-resolution remote sensing images were multi-scale segmented with the optimal segmentation parameters. Ahierarchical network structure was established by setting the information extraction rules to achieve object-oriented information extraction. This study presents an effective and practical method that can explain expert input judgment by reproducible quantitative measurements. Furthermore the results of this procedure may be incorporated into a classification scheme. PMID:27362762

Information Extraction of High Resolution Remote Sensing Images Based on the Calculation of Optimal Segmentation Parameters.

PubMed

Zhu, Hongchun; Cai, Lijie; Liu, Haiying; Huang, Wei

2016-01-01

Multi-scale image segmentation and the selection of optimal segmentation parameters are the key processes in the object-oriented information extraction of high-resolution remote sensing images. The accuracy of remote sensing special subject information depends on this extraction. On the basis of WorldView-2 high-resolution data, the optimal segmentation parameters methodof object-oriented image segmentation and high-resolution image information extraction, the following processes were conducted in this study. Firstly, the best combination of the bands and weights was determined for the information extraction of high-resolution remote sensing image. An improved weighted mean-variance method was proposed andused to calculatethe optimal segmentation scale. Thereafter, the best shape factor parameter and compact factor parameters were computed with the use of the control variables and the combination of the heterogeneity and homogeneity indexes. Different types of image segmentation parameters were obtained according to the surface features. The high-resolution remote sensing images were multi-scale segmented with the optimal segmentation parameters. Ahierarchical network structure was established by setting the information extraction rules to achieve object-oriented information extraction. This study presents an effective and practical method that can explain expert input judgment by reproducible quantitative measurements. Furthermore the results of this procedure may be incorporated into a classification scheme.

Development and validation of a new population-based simulation model of osteoarthritis in New Zealand.

PubMed

Wilson, R; Abbott, J H

2018-04-01

To describe the construction and preliminary validation of a new population-based microsimulation model developed to analyse the health and economic burden and cost-effectiveness of treatments for knee osteoarthritis (OA) in New Zealand (NZ). We developed the New Zealand Management of Osteoarthritis (NZ-MOA) model, a discrete-time state-transition microsimulation model of the natural history of radiographic knee OA. In this article, we report on the model structure, derivation of input data, validation of baseline model parameters against external data sources, and validation of model outputs by comparison of the predicted population health loss with previous estimates. The NZ-MOA model simulates both the structural progression of radiographic knee OA and the stochastic development of multiple disease symptoms. Input parameters were sourced from NZ population-based data where possible, and from international sources where NZ-specific data were not available. The predicted distributions of structural OA severity and health utility detriments associated with OA were externally validated against other sources of evidence, and uncertainty resulting from key input parameters was quantified. The resulting lifetime and current population health-loss burden was consistent with estimates of previous studies. The new NZ-MOA model provides reliable estimates of the health loss associated with knee OA in the NZ population. The model structure is suitable for analysis of the effects of a range of potential treatments, and will be used in future work to evaluate the cost-effectiveness of recommended interventions within the NZ healthcare system. Copyright © 2018 Osteoarthritis Research Society International. Published by Elsevier Ltd. All rights reserved.

Secure remote synchronization and secure key distribution in electro-optic networks revealed by symmetries

NASA Astrophysics Data System (ADS)

Xu, Mingfeng; Pan, Wei; Zhang, Liyue

2018-07-01

Despite the intuition that synchronization of different nodes in coupled oscillator networks results from information exchange between them, it has recently been shown that remote nodes could be partially synchronous even when they are separated by intermediately unsynchronized nodes. Here based on electro-optic system, we report on a more stronger form of such synchronization pattern that is termed as secure remote synchronization, in which two remotely separated nodes could have identically synchronized dynamical behaviors while the rest of the network are both statistically and information-theoretically incoherent relative to the two synchronized nodes. The generalized form of mirror symmetry in the network structure is identified to be a key mechanism allowing for secure remote synchronization. Moreover, this synchronization mode is robust against a wild range of system parameters and noise perturbing the intermediary dynamics. The lack of information about the synchronized dynamics in the rest of the network suggests that our results could potentially lead to network-based solutions for secure key distribution and secure communication.

Minimum Winfree loop determines self-sustained oscillations in excitable Erdös-Rényi random networks.

PubMed

Qian, Yu; Cui, Xiaohua; Zheng, Zhigang

2017-07-18

The investigation of self-sustained oscillations in excitable complex networks is very important in understanding various activities in brain systems, among which the exploration of the key determinants of oscillations is a challenging task. In this paper, by investigating the influence of system parameters on self-sustained oscillations in excitable Erdös-Rényi random networks (EERRNs), the minimum Winfree loop (MWL) is revealed to be the key factor in determining the emergence of collective oscillations. Specifically, the one-to-one correspondence between the optimal connection probability (OCP) and the MWL length is exposed. Moreover, many important quantities such as the lower critical connection probability (LCCP), the OCP, and the upper critical connection probability (UCCP) are determined by the MWL. Most importantly, they can be approximately predicted by the network structure analysis, which have been verified in numerical simulations. Our results will be of great importance to help us in understanding the key factors in determining persistent activities in biological systems.

A standard model eye with micro scale multilayer structure for ophthalmic optical coherence tomography equipment

NASA Astrophysics Data System (ADS)

Cao, Zhenggang; Ding, Zengqian; Hu, Zhixiong; Wen, Tao; Qiao, Wen; Liu, Wenli

2016-10-01

Optical coherence tomography (OCT) has been widely applied in diagnosis of eye diseases during the last 20 years. Differing from traditional two-dimension imaging technologies, OCT could also provide cross-sectional information of target tissues simultaneously and precisely. As well known, axial resolution is one of the most critical parameters impacting the OCT image quality, which determines whether an accurate diagnosis could be obtained. Therefore, it is important to evaluate the axial resolution of an OCT equipment. Phantoms always play an important role in the standardization and validation process. Here, a standard model eye with micro-scale multilayer structure was custom designed and manufactured. Mimicking a real human eye, analyzing the physical characteristic of layer structures of retina and cornea in-depth, appropriate materials were selected by testing the scattering coefficient of PDMS phantoms with difference concentration of TiO2 or BaSO4 particles. An artificial retina and cornea with multilayer-films which have a thickness of 10 to 60 micrometers for each layer were fabricated using spin coating technology. Considering key parameters of the standard model eye need to be traceable as well as accurate, the optical refractive index and layer structure thicknesses of phantoms were verified by utilizing Thickness Monitoring System. Consequently, a standard OCT model eye was obtained after the retinal or corneal phantom was embedded into a water-filled model eye which has been fabricated by 3D printing technology to simulate ocular dispersion and emmetropic refraction. The eye model was manufactured with a transparent resin to simulate realistic ophthalmic testing environment, and most key optical elements including cornea, lens and vitreous body were realized. By investigating with a research and a clinical OCT system respectively, the OCT model eye was demonstrated with similar physical properties as natural eye, and the multilayer film measurement provided an effective method to rapidly evaluate the axial resolution of ophthalmic OCT devices.

Viscoinertial regime of immersed granular flows

NASA Astrophysics Data System (ADS)

Amarsid, L.; Delenne, J.-Y.; Mutabaruka, P.; Monerie, Y.; Perales, F.; Radjai, F.

2017-07-01

By means of extensive coupled molecular dynamics-lattice Boltzmann simulations, accounting for grain dynamics and subparticle resolution of the fluid phase, we analyze steady inertial granular flows sheared by a viscous fluid. We show that, for a broad range of system parameters (shear rate, confining stress, fluid viscosity, and relative fluid-grain density), the frictional strength and packing fraction can be described by a modified inertial number incorporating the fluid effect. In a dual viscous description, the effective viscosity diverges as the inverse square of the difference between the packing fraction and its jamming value, as observed in experiments. We also find that the fabric and force anisotropies extracted from the contact network are well described by the modified inertial number, thus providing clear evidence for the role of these key structural parameters in dense suspensions.

Bioaccessibility of nutrients and micronutrients from dispersed food systems: impact of the multiscale bulk and interfacial structures.

PubMed

Marze, Sébastien

2013-01-01

Many food systems are dispersed systems, that is, they possess at least two immiscible phases. This is generally due to the coexistence of domains with different physicochemical properties separated by many interfaces which control the apparent thermodynamic equilibrium. This feature was and is still largely studied to design pharmaceutical delivery systems. In food science, the recent intensification of in vitro digestion tests to complement the in vivo ones holds promises in the identification of the key parameters controlling the bioaccessibility of nutrients and micronutrients. In this review, we present the developments of in vitro digestion tests for dispersed food systems (mainly emulsions, dispersions and gels). We especially highlight the evidences detailing the roles of the constituting multiscale structures. In a perspective section, we show the potential of structured interfaces to allow controlled bioaccessibility.

Deciphering the kinetic structure of multi-ion plasma shocks

DOE PAGES

Keenan, Brett D.; Simakov, Andrei N.; Chacón, Luis; ...

2017-11-15

Here, strong collisional shocks in multi-ion plasmas are featured in many high-energy-density environments, including inertial confinement fusion implosions. However, their basic structure and its dependence on key parameters (e.g., the Mach number and the plasma ion composition) are poorly understood, and inconsistencies in that regard remain in the literature. In particular, the shock width's dependence on the Mach number has been hotly debated for decades. Using a high-fidelity Vlasov-Fokker-Planck code, iFP, and direct comparisons to multi-ion hydrodynamic simulations and semianalytic predictions, we resolve the structure of steady-state planar shocks in D- 3He plasmas. Additionally, we derive and confirm with kineticmore » simulations a quantitative description of the dependence of the shock width on the Mach number and initial ion concentration.« less

Deciphering the kinetic structure of multi-ion plasma shocks

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

Keenan, Brett D.; Simakov, Andrei N.; Chacón, Luis

Here, strong collisional shocks in multi-ion plasmas are featured in many high-energy-density environments, including inertial confinement fusion implosions. However, their basic structure and its dependence on key parameters (e.g., the Mach number and the plasma ion composition) are poorly understood, and inconsistencies in that regard remain in the literature. In particular, the shock width's dependence on the Mach number has been hotly debated for decades. Using a high-fidelity Vlasov-Fokker-Planck code, iFP, and direct comparisons to multi-ion hydrodynamic simulations and semianalytic predictions, we resolve the structure of steady-state planar shocks in D- 3He plasmas. Additionally, we derive and confirm with kineticmore » simulations a quantitative description of the dependence of the shock width on the Mach number and initial ion concentration.« less

Mechanical Characterization of Partially Crystallized Sphere Packings

NASA Astrophysics Data System (ADS)

Hanifpour, M.; Francois, N.; Vaez Allaei, S. M.; Senden, T.; Saadatfar, M.

2014-10-01

We study grain-scale mechanical and geometrical features of partially crystallized packings of frictional spheres, produced experimentally by a vibrational protocol. By combining x-ray computed tomography, 3D image analysis, and discrete element method simulations, we have access to the 3D structure of internal forces. We investigate how the network of mechanical contacts and intergranular forces change when the packing structure evolves from amorphous to near perfect crystalline arrangements. We compare the behavior of the geometrical neighbors (quasicontracts) of a grain to the evolution of the mechanical contacts. The mechanical coordination number Zm is a key parameter characterizing the crystallization onset. The high fluctuation level of Zm and of the force distribution in highly crystallized packings reveals that a geometrically ordered structure still possesses a highly random mechanical backbone similar to that of amorphous packings.

The relationship between two fast/slow analysis techniques for bursting oscillations

PubMed Central

Teka, Wondimu; Tabak, Joël; Bertram, Richard

2012-01-01

Bursting oscillations in excitable systems reflect multi-timescale dynamics. These oscillations have often been studied in mathematical models by splitting the equations into fast and slow subsystems. Typically, one treats the slow variables as parameters of the fast subsystem and studies the bifurcation structure of this subsystem. This has key features such as a z-curve (stationary branch) and a Hopf bifurcation that gives rise to a branch of periodic spiking solutions. In models of bursting in pituitary cells, we have recently used a different approach that focuses on the dynamics of the slow subsystem. Characteristic features of this approach are folded node singularities and a critical manifold. In this article, we investigate the relationships between the key structures of the two analysis techniques. We find that the z-curve and Hopf bifurcation of the two-fast/one-slow decomposition are closely related to the voltage nullcline and folded node singularity of the one-fast/two-slow decomposition, respectively. They become identical in the double singular limit in which voltage is infinitely fast and calcium is infinitely slow. PMID:23278052

Natural photosystems from an engineer's perspective: length, time, and energy scales of charge and energy transfer.

PubMed

Noy, Dror

2008-01-01

The vast structural and functional information database of photosynthetic enzymes includes, in addition to detailed kinetic records from decades of research on physical processes and chemical reaction-pathways, a variety of high and medium resolution crystal structures of key photosynthetic enzymes. Here, it is examined from an engineer's point of view with the long-term goal of reproducing the key features of natural photosystems in novel biological and non-biological solar-energy conversion systems. This survey reveals that the basic physics of the transfer processes, namely, the time constraints imposed by the rates of incoming photon flux and the various decay processes allow for a large degree of tolerance in the engineering parameters. Furthermore, the requirements to guarantee energy and electron transfer rates that yield high efficiency in natural photosystems are largely met by control of distance between chromophores and redox cofactors. This underlines a critical challenge for projected de novo designed constructions, that is, the control of spatial organization of cofactor molecules within dense array of different cofactors, some well within 1 nm from each other.

Isostatic and Decompensative Gravity Anomalies of the Arabian Plate and Surrounding Regions: a Key for the Crustal Structure

NASA Astrophysics Data System (ADS)

Kaban, M. K.; El Khrepy, S.; Al-Arifi, N. S.

2016-12-01

The isostatic anomalies are often considered as one of the most useful correction of the gravity field for investigation of the upper crust structure in many practical applications. By applying this correction, a substantial part of the effect of deep density heterogeneity, which dominates in the Bouguer gravity anomaly, can be removed. With this approach, it is not even necessary to know the deep density structure of the crust and upper mantle in details; it is sufficient to prescribe some type of compensation (regional vs. local) and a compensation depth. However, even when all the parameters are chosen correctly, this reduction of the gravity field does not show the full gravity effect of unknown anomalies in the crust. The last ones should be also compensated to some extent; therefore their impact is substantially reduced by the isostatic compensation. Long ago (Cordell et al., 1991), it was suggested a so-called decompensative correction of the isostatic anomalies, which provides a possibility to separate these effects. However, the decompensative correction is very sensitive to the parameters of the compensation scheme. In the present study we analyse the ways to choose these parameters and extend this approach by assuming a possibility for the regional compensation via elastic deformations of the lithosphere. Based on this technique, we estimate the isostatic and decompensative anomalies for the Arabian plate and surrounding regions. The parameters of the isostatic model are chosen based on previous studies. It was demonstrated that the decompensative correction is very significant at the mid-range wavelengths and may exceed 100 mGal, therefore ignoring this effect would lead to wrong conclusions about the upper crust structure. The total amplitude of the decompensative anomalies reaches ±250 mGal, evidencing for both, large density anomalies of the upper crust (including sediments) and strong isostatic disturbances of the lithosphere. These results improve the knowledge about the crustal structure in the Middle East. Cordell, L., Zorin, Y. A., & Keller, G. R. (1991). The decompensative gravity anomaly and deep structure of the region of the Rio Grande rift. Journal of Geophysical Research: Solid Earth (1978-2012), 96(B4), 6557-6568.

Numerical Simulation and Optimization of Directional Solidification Process of Single Crystal Superalloy Casting

PubMed Central

Zhang, Hang; Xu, Qingyan; Liu, Baicheng

2014-01-01

The rapid development of numerical modeling techniques has led to more accurate results in modeling metal solidification processes. In this study, the cellular automaton-finite difference (CA-FD) method was used to simulate the directional solidification (DS) process of single crystal (SX) superalloy blade samples. Experiments were carried out to validate the simulation results. Meanwhile, an intelligent model based on fuzzy control theory was built to optimize the complicate DS process. Several key parameters, such as mushy zone width and temperature difference at the cast-mold interface, were recognized as the input variables. The input variables were functioned with the multivariable fuzzy rule to get the output adjustment of withdrawal rate (v) (a key technological parameter). The multivariable fuzzy rule was built, based on the structure feature of casting, such as the relationship between section area, and the delay time of the temperature change response by changing v, and the professional experience of the operator as well. Then, the fuzzy controlling model coupled with CA-FD method could be used to optimize v in real-time during the manufacturing process. The optimized process was proven to be more flexible and adaptive for a steady and stray-grain free DS process. PMID:28788535

Sensitivity of projected long-term CO2 emissions across the Shared Socioeconomic Pathways

NASA Astrophysics Data System (ADS)

Marangoni, G.; Tavoni, M.; Bosetti, V.; Borgonovo, E.; Capros, P.; Fricko, O.; Gernaat, D. E. H. J.; Guivarch, C.; Havlik, P.; Huppmann, D.; Johnson, N.; Karkatsoulis, P.; Keppo, I.; Krey, V.; Ó Broin, E.; Price, J.; van Vuuren, D. P.

2017-01-01

Scenarios showing future greenhouse gas emissions are needed to estimate climate impacts and the mitigation efforts required for climate stabilization. Recently, the Shared Socioeconomic Pathways (SSPs) have been introduced to describe alternative social, economic and technical narratives, spanning a wide range of plausible futures in terms of challenges to mitigation and adaptation. Thus far the key drivers of the uncertainty in emissions projections have not been robustly disentangled. Here we assess the sensitivities of future CO2 emissions to key drivers characterizing the SSPs. We use six state-of-the-art integrated assessment models with different structural characteristics, and study the impact of five families of parameters, related to population, income, energy efficiency, fossil fuel availability, and low-carbon energy technology development. A recently developed sensitivity analysis algorithm allows us to parsimoniously compute both the direct and interaction effects of each of these drivers on cumulative emissions. The study reveals that the SSP assumptions about energy intensity and economic growth are the most important determinants of future CO2 emissions from energy combustion, both with and without a climate policy. Interaction terms between parameters are shown to be important determinants of the total sensitivities.

Dynamics of social contagions with memory of nonredundant information

NASA Astrophysics Data System (ADS)

Wang, Wei; Tang, Ming; Zhang, Hai-Feng; Lai, Ying-Cheng

2015-07-01

A key ingredient in social contagion dynamics is reinforcement, as adopting a certain social behavior requires verification of its credibility and legitimacy. Memory of nonredundant information plays an important role in reinforcement, which so far has eluded theoretical analysis. We first propose a general social contagion model with reinforcement derived from nonredundant information memory. Then, we develop a unified edge-based compartmental theory to analyze this model, and a remarkable agreement with numerics is obtained on some specific models. We use a spreading threshold model as a specific example to understand the memory effect, in which each individual adopts a social behavior only when the cumulative pieces of information that the individual received from his or her neighbors exceeds an adoption threshold. Through analysis and numerical simulations, we find that the memory characteristic markedly affects the dynamics as quantified by the final adoption size. Strikingly, we uncover a transition phenomenon in which the dependence of the final adoption size on some key parameters, such as the transmission probability, can change from being discontinuous to being continuous. The transition can be triggered by proper parameters and structural perturbations to the system, such as decreasing individuals' adoption threshold, increasing initial seed size, or enhancing the network heterogeneity.

Development of a Laminar Flame Test Facility for Bio-Diesel Characterization

NASA Astrophysics Data System (ADS)

Tan, Giam

2009-11-01

The relevance of applying testing standards established for diesel fuels to evaluate bio-diesel fuels motivates the design and fabrication of a vertical combustion chamber to be able to measure flame speeds of the varying strains of bio-diesel fuels and to attain more detailed kinetics information for biodiesel fuel. Extensive research is ongoing to understand the impact of fundamental combustion properties such as ignition characteristics, laminar flame speed, strain sensitivity and extinction strain rates on emission and stability characteristics of the combustor. It is envisioned that further flame studies will provide key kinetics validation data for biodiesel-like molecules -- the current test rig was developed with provisions for optical access and for future spectroscopic measurements. The current work focuses on laminar flame speeds since this important parameter contains fundamental information regarding reactivity, diffusivity, and exothermicity of the fuel mixture. It has a significant impact upon the propensity of a flame to flashback and blowoff and also serves as a key scaling parameter for other important combustion characteristics, such as the turbulent flame structure, turbulent flame speed and flame's spatial distribution etc. The flame experiments are challenging as the tested bio-fuel must be uniformly atomized and uniformly dispersed.

Calculations of key magnetospheric parameters using the isotropic and anisotropic SPSU global MHD code

NASA Astrophysics Data System (ADS)

Samsonov, Andrey; Gordeev, Evgeny; Sergeev, Victor

2017-04-01

As it was recently suggested (e.g., Gordeev et al., 2015), the global magnetospheric configuration can be characterized by a set of key parameters, such as the magnetopause distance at the subsolar point and on the terminator plane, the magnetic field in the magnetotail lobe and the plasma sheet thermal pressure, the cross polar cap electric potential drop and the total field-aligned current. For given solar wind conditions, the values of these parameters can be obtained from both empirical models and global MHD simulations. We validate the recently developed global MHD code SPSU-16 using the key magnetospheric parameters mentioned above. The code SPSU-16 can calculate both the isotropic and anisotropic MHD equations. In the anisotropic version, we use the modified double-adiabatic equations in which the T⊥/T∥ (the ratio of perpendicular to parallel thermal pressures) has been bounded from above by the mirror and ion-cyclotron thresholds and from below by the firehose threshold. The results of validation for the SPSU-16 code well agree with the previously published results of other global codes. Some key parameters coincide in the isotropic and anisotropic MHD simulations, but some are different.

Dynamical graph theory networks techniques for the analysis of sparse connectivity networks in dementia

NASA Astrophysics Data System (ADS)

Tahmassebi, Amirhessam; Pinker-Domenig, Katja; Wengert, Georg; Lobbes, Marc; Stadlbauer, Andreas; Romero, Francisco J.; Morales, Diego P.; Castillo, Encarnacion; Garcia, Antonio; Botella, Guillermo; Meyer-Bäse, Anke

2017-05-01

Graph network models in dementia have become an important computational technique in neuroscience to study fundamental organizational principles of brain structure and function of neurodegenerative diseases such as dementia. The graph connectivity is reflected in the connectome, the complete set of structural and functional connections of the graph network, which is mostly based on simple Pearson correlation links. In contrast to simple Pearson correlation networks, the partial correlations (PC) only identify direct correlations while indirect associations are eliminated. In addition to this, the state-of-the-art techniques in brain research are based on static graph theory, which is unable to capture the dynamic behavior of the brain connectivity, as it alters with disease evolution. We propose a new research avenue in neuroimaging connectomics based on combining dynamic graph network theory and modeling strategies at different time scales. We present the theoretical framework for area aggregation and time-scale modeling in brain networks as they pertain to disease evolution in dementia. This novel paradigm is extremely powerful, since we can derive both static parameters pertaining to node and area parameters, as well as dynamic parameters, such as system's eigenvalues. By implementing and analyzing dynamically both disease driven PC-networks and regular concentration networks, we reveal differences in the structure of these network that play an important role in the temporal evolution of this disease. The described research is key to advance biomedical research on novel disease prediction trajectories and dementia therapies.

Design of integrated laser initiator

NASA Astrophysics Data System (ADS)

Cao, Chunqiang; He, Aifeng; Jing, Bo; Ma, Yue

2018-03-01

This paper analyzes the design principle of integrated laser detonator, introduces the design method of integrated laser Detonators. Based on the integrated laser detonator, structure, laser energy -exchange device, circuit design and the energetic material properties and the charge parameters, developed a high level of integration Antistatic ability Small size of the integrated laser prototype Detonator. The laser detonator prototype antistatic ability of 25 kV. The research of this paper can solve the key design of laser detonator miniaturization and integration of weapons and equipment, satisfy the electromagnetic safety and micro weapons development of explosive demand.

Acousto-ultrasonic decay in metal matrix composite panels

NASA Technical Reports Server (NTRS)

Kautz, Harold E.

1995-01-01

Acousto-ultrasonic (A-U) decay rates (UD) were measured in metal matrix composite (MMC) panels. The MMC panels had fiber architectures and cross-sectional thicknesses corresponding to those designed for aerospace turbine engine structures. The wavelength-to-thickness ratio produced by the combination of experimental frequency setting conditions and specimen geometry was found to be a key parameter for identifying optimum conditions for UD measurements. The ratio was shown to be a useful rule of thumb when applied to ceramic matrix composites (CMC)s and monolithic thermo-plastics.

Single photon detector with high polarization sensitivity.

PubMed

Guo, Qi; Li, Hao; You, LiXing; Zhang, WeiJun; Zhang, Lu; Wang, Zhen; Xie, XiaoMing; Qi, Ming

2015-04-15

Polarization is one of the key parameters of light. Most optical detectors are intensity detectors that are insensitive to the polarization of light. A superconducting nanowire single photon detector (SNSPD) is naturally sensitive to polarization due to its nanowire structure. Previous studies focused on producing a polarization-insensitive SNSPD. In this study, by adjusting the width and pitch of the nanowire, we systematically investigate the preparation of an SNSPD with high polarization sensitivity. Subsequently, an SNSPD with a system detection efficiency of 12% and a polarization extinction ratio of 22 was successfully prepared.

Three-Dimensional Imaging of the Mouse Organ of Corti Cytoarchitecture for Mechanical Modeling

NASA Astrophysics Data System (ADS)

Puria, Sunil; Hartman, Byron; Kim, Jichul; Oghalai, John S.; Ricci, Anthony J.; Liberman, M. Charles

2011-11-01

Cochlear models typically use continuous anatomical descriptions and homogenized parameters based on two-dimensional images for describing the organ of Corti. To produce refined models based more closely on the actual cochlear cytoarchitecture, three-dimensional morphometric parameters of key mechanical structures are required. Towards this goal, we developed and compared three different imaging methods: (1) A fixed cochlear whole-mount preparation using the fluorescent dye Cellmask®, which is a molecule taken up by cell membranes and clearly delineates Deiters' cells, outer hair cells, and the phalangeal process, imaged using confocal microscopy; (2) An in situ fixed preparation with hair cells labeled using anti-prestin and supporting structures labeled using phalloidin, imaged using two-photon microscopy; and (3) A membrane-tomato (mT) mouse with fluorescent proteins expressed in all cell membranes, which enables two-photon imaging of an in situ live preparation with excellent visualization of the organ of Corti. Morphometric parameters including lengths, diameters, and angles, were extracted from 3D cellular surface reconstructions of the resulting images. Preliminary results indicate that the length of the phalangeal processes decreases from the first (inner most) to third (outer most) row of outer hair cells, and that their length also likely varies from base to apex and across species.

Robustness Analysis and Reliable Flight Regime Estimation of an Integrated Resilent Control System for a Transport Aircraft

NASA Technical Reports Server (NTRS)

Shin, Jong-Yeob; Belcastro, Christine

2008-01-01

Formal robustness analysis of aircraft control upset prevention and recovery systems could play an important role in their validation and ultimate certification. As a part of the validation process, this paper describes an analysis method for determining a reliable flight regime in the flight envelope within which an integrated resilent control system can achieve the desired performance of tracking command signals and detecting additive faults in the presence of parameter uncertainty and unmodeled dynamics. To calculate a reliable flight regime, a structured singular value analysis method is applied to analyze the closed-loop system over the entire flight envelope. To use the structured singular value analysis method, a linear fractional transform (LFT) model of a transport aircraft longitudinal dynamics is developed over the flight envelope by using a preliminary LFT modeling software tool developed at the NASA Langley Research Center, which utilizes a matrix-based computational approach. The developed LFT model can capture original nonlinear dynamics over the flight envelope with the ! block which contains key varying parameters: angle of attack and velocity, and real parameter uncertainty: aerodynamic coefficient uncertainty and moment of inertia uncertainty. Using the developed LFT model and a formal robustness analysis method, a reliable flight regime is calculated for a transport aircraft closed-loop system.

Uptake and localization mechanisms of fluorescent and colored lipid probes. Part 2. QSAR models that predict localization of fluorescent probes used to identify ("specifically stain") various biomembranes and membranous organelles.

PubMed

Horobin, R W; Stockert, J C; Rashid-Doubell, F

2015-05-01

We discuss a variety of biological targets including generic biomembranes and the membranes of the endoplasmic reticulum, endosomes/lysosomes, Golgi body, mitochondria (outer and inner membranes) and the plasma membrane of usual fluidity. For each target, we discuss the access of probes to the target membrane, probe uptake into the membrane and the mechanism of selectivity of the probe uptake. A statement of the QSAR decision rule that describes the required physicochemical features of probes that enable selective staining also is provided, followed by comments on exceptions and limits. Examples of probes typically used to demonstrate each target structure are noted and decision rule tabulations are provided for probes that localize in particular targets; these tabulations show distribution of probes in the conceptual space defined by the relevant structure parameters ("parameter space"). Some general implications and limitations of the QSAR models for probe targeting are discussed including the roles of certain cell and protocol factors that play significant roles in lipid staining. A case example illustrates the predictive ability of QSAR models. Key limiting values of the head group hydrophilicity parameter associated with membrane-probe interactions are discussed in an appendix.

Electronic structure and the origin of the Dzyaloshinskii-Moriya interaction in MnSi

DOE PAGES

Satpathy, S.; Shanavas, K. V.

2016-05-02

Here, the metallic helimagnet MnSi has been found to exhibit skyrmionic spin textures when subjected to magnetic fields at low temperatures. The Dzyaloshinskii-Moriya (DM) interaction plays a key role in stabilizing the skyrmion state. With the help of first-principles calculations, crystal field theory and a tight-binding model we study the electronic structure and the origin of the DM interaction in the B20 phase of MnSi. The strength ofmore » $$\\vec{D}$$ parameter is determined by the magnitude of the spin-orbit interaction and the degree of orbital mixing, induced by the symmetry-breaking distortions in the B20 phase. We find that, strong coupling between Mn-$d$ and Si-$p$ states lead to a mixed valence ground state $$|d^{7-x}p^{2+x}\\rangle$$ configuration. The experimental magnetic moment of $$0.4~\\mu_B$$ is consistent with the Coulomb-corrected DFT+$U$ calculations, which redistributes electrons between the majority and minority spin channels. We derive the magnetic interaction parameters $J$ and $$\\vec{D}$$ for Mn-Si-Mn superexchange paths using Moriya's theory assuming the interaction to be mediated by $$e_g$$ electrons near the Fermi level. Finally, using parameters from our calculations, we get reasonable agreement with the observations.« less

Cryptosystem for Securing Image Encryption Using Structured Phase Masks in Fresnel Wavelet Transform Domain

NASA Astrophysics Data System (ADS)

Singh, Hukum

2016-12-01

A cryptosystem for securing image encryption is considered by using double random phase encoding in Fresnel wavelet transform (FWT) domain. Random phase masks (RPMs) and structured phase masks (SPMs) based on devil's vortex toroidal lens (DVTL) are used in spatial as well as in Fourier planes. The images to be encrypted are first Fresnel transformed and then single-level discrete wavelet transform (DWT) is apply to decompose LL,HL, LH and HH matrices. The resulting matrices from the DWT are multiplied by additional RPMs and the resultants are subjected to inverse DWT for the encrypted images. The scheme is more secure because of many parameters used in the construction of SPM. The original images are recovered by using the correct parameters of FWT and SPM. Phase mask SPM based on DVTL increases security that enlarges the key space for encryption and decryption. The proposed encryption scheme is a lens-less optical system and its digital implementation has been performed using MATLAB 7.6.0 (R2008a). The computed value of mean-squared-error between the retrieved and the input images shows the efficacy of scheme. The sensitivity to encryption parameters, robustness against occlusion, entropy and multiplicative Gaussian noise attacks have been analysed.

Application of the advanced engineering environment for optimization energy consumption in designed vehicles

NASA Astrophysics Data System (ADS)

Monica, Z.; Sękala, A.; Gwiazda, A.; Banaś, W.

2016-08-01

Nowadays a key issue is to reduce the energy consumption of road vehicles. In particular solution one could find different strategies of energy optimization. The most popular but not sophisticated is so called eco-driving. In this strategy emphasized is particular behavior of drivers. In more sophisticated solution behavior of drivers is supported by control system measuring driving parameters and suggesting proper operation of the driver. The other strategy is concerned with application of different engineering solutions that aid optimization the process of energy consumption. Such systems take into consideration different parameters measured in real time and next take proper action according to procedures loaded to the control computer of a vehicle. The third strategy bases on optimization of the designed vehicle taking into account especially main sub-systems of a technical mean. In this approach the optimal level of energy consumption by a vehicle is obtained by synergetic results of individual optimization of particular constructional sub-systems of a vehicle. It is possible to distinguish three main sub-systems: the structural one the drive one and the control one. In the case of the structural sub-system optimization of the energy consumption level is related with the optimization or the weight parameter and optimization the aerodynamic parameter. The result is optimized body of a vehicle. Regarding the drive sub-system the optimization of the energy consumption level is related with the fuel or power consumption using the previously elaborated physical models. Finally the optimization of the control sub-system consists in determining optimal control parameters.

Antagonistic and synergistic interactions among predators.

PubMed

Huxel, Gary R

2007-08-01

The structure and dynamics of food webs are largely dependent upon interactions among consumers and their resources. However, interspecific interactions such as intraguild predation and interference competition can also play a significant role in the stability of communities. The role of antagonistic/synergistic interactions among predators has been largely ignored in food web theory. These mechanisms influence predation rates, which is one of the key factors regulating food web structure and dynamics, thus ignoring them can potentially limit understanding of food webs. Using nonlinear models, it is shown that critical aspects of multiple predator food web dynamics are antagonistic/synergistic interactions among predators. The influence of antagonistic/synergistic interactions on coexistence of predators depended largely upon the parameter set used and the degree of feeding niche differentiation. In all cases when there was no effect of antagonism or synergism (a ( ij )=1.00), the predators coexisted. Using the stable parameter set, coexistence occurred across the range of antagonism/synergism used. However, using the chaotic parameter strong antagonism resulted in the extinction of one or both species, while strong synergism tended to coexistence. Whereas using the limit cycle parameter set, coexistence was strongly dependent on the degree of feeding niche overlap. Additionally increasing the degree of feeding specialization of the predators on the two prey species increased the amount of parameter space in which coexistence of the two predators occurred. Bifurcation analyses supported the general pattern of increased stability when the predator interaction was synergistic and decreased stability when it was antagonistic. Thus, synergistic interactions should be more common than antagonistic interactions in ecological systems.

Significance of settling model structures and parameter subsets in modelling WWTPs under wet-weather flow and filamentous bulking conditions.

PubMed

Ramin, Elham; Sin, Gürkan; Mikkelsen, Peter Steen; Plósz, Benedek Gy

2014-10-15

Current research focuses on predicting and mitigating the impacts of high hydraulic loadings on centralized wastewater treatment plants (WWTPs) under wet-weather conditions. The maximum permissible inflow to WWTPs depends not only on the settleability of activated sludge in secondary settling tanks (SSTs) but also on the hydraulic behaviour of SSTs. The present study investigates the impacts of ideal and non-ideal flow (dry and wet weather) and settling (good settling and bulking) boundary conditions on the sensitivity of WWTP model outputs to uncertainties intrinsic to the one-dimensional (1-D) SST model structures and parameters. We identify the critical sources of uncertainty in WWTP models through global sensitivity analysis (GSA) using the Benchmark simulation model No. 1 in combination with first- and second-order 1-D SST models. The results obtained illustrate that the contribution of settling parameters to the total variance of the key WWTP process outputs significantly depends on the influent flow and settling conditions. The magnitude of the impact is found to vary, depending on which type of 1-D SST model is used. Therefore, we identify and recommend potential parameter subsets for WWTP model calibration, and propose optimal choice of 1-D SST models under different flow and settling boundary conditions. Additionally, the hydraulic parameters in the second-order SST model are found significant under dynamic wet-weather flow conditions. These results highlight the importance of developing a more mechanistic based flow-dependent hydraulic sub-model in second-order 1-D SST models in the future. Copyright © 2014 Elsevier Ltd. All rights reserved.

Thermal expansion in FeCrCoNiGa high-entropy alloy from theory and experiment

NASA Astrophysics Data System (ADS)

Huang, Shuo; Vida, Ádám; Li, Wei; Molnár, Dávid; Kyun Kwon, Se; Holmström, Erik; Varga, Béla; Károly Varga, Lajos; Vitos, Levente

2017-06-01

First-principle alloy theory and key experimental techniques are applied to determine the thermal expansion of FeCrCoNiGa high-entropy alloy. The magnetic transition, observed at 649 K, is accompanied by a significant increase in the thermal expansion coefficient. The phase stability is analyzed as a function of temperature via the calculated free energies accounting for the structural, magnetic, electronic, vibrational and configurational contributions. The single- and polycrystal elastic modulus for the ferro- and paramagnetic states of the face-centered and body-centered cubic phases are presented. By combining the measured and theoretically predicted temperature-dependent lattice parameters, we reveal the structural and magnetic origin of the observed anomalous thermal expansion behavior.

Methods to Assess Mitochondrial Morphology in Mammalian Cells Mounting Autophagic or Mitophagic Responses.

PubMed

Marchi, S; Bonora, M; Patergnani, S; Giorgi, C; Pinton, P

2017-01-01

It is widely acknowledged that mitochondria are highly active structures that rapidly respond to cellular and environmental perturbations by changing their shape, number, and distribution. Mitochondrial remodeling is a key component of diverse biological processes, ranging from cell cycle progression to autophagy. In this chapter, we describe different methodologies for the morphological study of the mitochondrial network. Instructions are given for the preparation of samples for fluorescent microscopy, based on genetically encoded strategies or the employment of synthetic fluorescent dyes. We also propose detailed protocols to analyze mitochondrial morphometric parameters from both three-dimensional and bidimensional datasets. Finally, we describe a protocol for the visualization and quantification of mitochondrial structures through electron microscopy. © 2017 Elsevier Inc. All rights reserved.

Closed-form solutions for linear regulator-design of mechanical systems including optimal weighting matrix selection

NASA Technical Reports Server (NTRS)

Hanks, Brantley R.; Skelton, Robert E.

1991-01-01

This paper addresses the restriction of Linear Quadratic Regulator (LQR) solutions to the algebraic Riccati Equation to design spaces which can be implemented as passive structural members and/or dampers. A general closed-form solution to the optimal free-decay control problem is presented which is tailored for structural-mechanical systems. The solution includes, as subsets, special cases such as the Rayleigh Dissipation Function and total energy. Weighting matrix selection is a constrained choice among several parameters to obtain desired physical relationships. The closed-form solution is also applicable to active control design for systems where perfect, collocated actuator-sensor pairs exist. Some examples of simple spring mass systems are shown to illustrate key points.

Modeling the Structure of Composite Supernova Remnants

NASA Astrophysics Data System (ADS)

Slane, Patrick

2015-09-01

The dynamical structure of a composite SNR, along with its broadband emission, provides crucial constraints on the ejecta mass and explosion energy, the properties of the pulsar that powers the associated wind nebula, and the ultimate fate of the particles that it injects. Of particular importance is the effect of asymmetries introduced through spatial variations in the ambient medium density and by rapid motion of the pulsar. Here we propose hydrodynamical and semi-analytical modeling of G21.5-0.9 and G292.0+1.8, SNRs for which deep Chandra observations have provided key input parameters for these models. We will derive ambient conditions and pulsar properties that lead to the observed morphology, broadband emission, and shock conditions in these important composite systems.

A review of failure models for unidirectional ceramic matrix composites under monotonic loads

NASA Technical Reports Server (NTRS)

Tripp, David E.; Hemann, John H.; Gyekenyesi, John P.

1989-01-01

Ceramic matrix composites offer significant potential for improving the performance of turbine engines. In order to achieve their potential, however, improvements in design methodology are needed. In the past most components using structural ceramic matrix composites were designed by trial and error since the emphasis of feasibility demonstration minimized the development of mathematical models. To understand the key parameters controlling response and the mechanics of failure, the development of structural failure models is required. A review of short term failure models with potential for ceramic matrix composite laminates under monotonic loads is presented. Phenomenological, semi-empirical, shear-lag, fracture mechanics, damage mechanics, and statistical models for the fast fracture analysis of continuous fiber unidirectional ceramic matrix composites under monotonic loads are surveyed.

Bayesian network representing system dynamics in risk analysis of nuclear systems

NASA Astrophysics Data System (ADS)

Varuttamaseni, Athi

2011-12-01

A dynamic Bayesian network (DBN) model is used in conjunction with the alternating conditional expectation (ACE) regression method to analyze the risk associated with the loss of feedwater accident coupled with a subsequent initiation of the feed and bleed operation in the Zion-1 nuclear power plant. The use of the DBN allows the joint probability distribution to be factorized, enabling the analysis to be done on many simpler network structures rather than on one complicated structure. The construction of the DBN model assumes conditional independence relations among certain key reactor parameters. The choice of parameter to model is based on considerations of the macroscopic balance statements governing the behavior of the reactor under a quasi-static assumption. The DBN is used to relate the peak clad temperature to a set of independent variables that are known to be important in determining the success of the feed and bleed operation. A simple linear relationship is then used to relate the clad temperature to the core damage probability. To obtain a quantitative relationship among different nodes in the DBN, surrogates of the RELAP5 reactor transient analysis code are used. These surrogates are generated by applying the ACE algorithm to output data obtained from about 50 RELAP5 cases covering a wide range of the selected independent variables. These surrogates allow important safety parameters such as the fuel clad temperature to be expressed as a function of key reactor parameters such as the coolant temperature and pressure together with important independent variables such as the scram delay time. The time-dependent core damage probability is calculated by sampling the independent variables from their probability distributions and propagate the information up through the Bayesian network to give the clad temperature. With the knowledge of the clad temperature and the assumption that the core damage probability has a one-to-one relationship to it, we have calculated the core damage probably as a function of transient time. The use of the DBN model in combination with ACE allows risk analysis to be performed with much less effort than if the analysis were done using the standard techniques.

The Utility of Decomposition and Associated Microbial Parameters to Assess Changes in Stream Ecosystems due to Eutrophication

NASA Astrophysics Data System (ADS)

Gulis, V.; Ferreira, V. J.; Graca, M. A.

2005-05-01

Traditional approaches to assess stream ecosystem health rely on structural parameters, e.g. a variety of biotic indices. The goal of the Europe-wide RivFunction project is to develop methodology that uses functional parameters (e.g. plant litter decomposition) to this end. Here we report on decomposition experiments carried out in Portugal in five pairs of streams that differed in dissolved inorganic nutrients. On average, decomposition rates of alder and oak leaves were 2.8 and 1.4 times higher in high nutrient streams in coarse and fine mesh bags, respectively, than in corresponding reference streams. Breakdown rate correlated better with stream water SRP concentration rather than TIN. Fungal biomass and sporulation rates of aquatic hyphomycetes associated with decomposing leaves were stimulated by higher nutrient levels. Both fungal parameters measured at very early stages of decomposition (e.g. days 7-13) correlated well with overall decomposition rates. Eutrophication had no significant effect on shredder abundances in leaf bags but species richness was higher in disturbed streams. Decomposition is a key functional parameter in streams integrating many other variables and can be useful in assessing stream ecosystem health. We also argue that because decomposition is often controlled by fungal activity, microbial parameters can also be useful in bioassessment.

An Image Encryption Algorithm Utilizing Julia Sets and Hilbert Curves

PubMed Central

Sun, Yuanyuan; Chen, Lina; Xu, Rudan; Kong, Ruiqing

2014-01-01

Image encryption is an important and effective technique to protect image security. In this paper, a novel image encryption algorithm combining Julia sets and Hilbert curves is proposed. The algorithm utilizes Julia sets’ parameters to generate a random sequence as the initial keys and gets the final encryption keys by scrambling the initial keys through the Hilbert curve. The final cipher image is obtained by modulo arithmetic and diffuse operation. In this method, it needs only a few parameters for the key generation, which greatly reduces the storage space. Moreover, because of the Julia sets’ properties, such as infiniteness and chaotic characteristics, the keys have high sensitivity even to a tiny perturbation. The experimental results indicate that the algorithm has large key space, good statistical property, high sensitivity for the keys, and effective resistance to the chosen-plaintext attack. PMID:24404181

A no-key-exchange secure image sharing scheme based on Shamir's three-pass cryptography protocol and the multiple-parameter fractional Fourier transform.

PubMed

Lang, Jun

2012-01-30

In this paper, we propose a novel secure image sharing scheme based on Shamir's three-pass protocol and the multiple-parameter fractional Fourier transform (MPFRFT), which can safely exchange information with no advance distribution of either secret keys or public keys between users. The image is encrypted directly by the MPFRFT spectrum without the use of phase keys, and information can be shared by transmitting the encrypted image (or message) three times between users. Numerical simulation results are given to verify the performance of the proposed algorithm.

Investigation of thermal conduction in symmetric and asymmetric nanoporous structures

NASA Astrophysics Data System (ADS)

Yu, Ziqi; Ferrer-Argemi, Laia; Lee, Jaeho

2017-12-01

Nanoporous structures with a critical dimension comparable to or smaller than the phonon mean free path have demonstrated significant thermal conductivity reductions that are attractive for thermoelectric applications, but the presence of various geometric parameters complicates the understanding of governing mechanisms. Here, we use a ray tracing technique to investigate phonon boundary scattering phenomena in Si nanoporous structures of varying pore shapes, pore alignments, and pore size distributions, and identify mechanisms that are primarily responsible for thermal conductivity reductions. Our simulation results show that the neck size, or the smallest distance between nearest pores, is the key parameter in understanding nanoporous structures of varying pore shapes and the same porosities. When the neck size and the porosity are both identical, asymmetric pore shapes provide a lower thermal conductivity compared with symmetric pore shapes, due to localized heat fluxes. Asymmetric nanoporous structures show possibilities of realizing thermal rectification even with fully diffuse surface boundaries, in which optimal arrangements of triangular pores show a rectification ratio up to 13 when the injection angles are optimally controlled. For symmetric nanoporous structures, hexagonal-lattice pores achieve larger thermal conductivity reductions than square-lattice pores due to the limited line of sight for phonons. We also show that nanoporous structures of alternating pore size distributions from large to small pores yield a lower thermal conductivity compared with those of uniform pore size distributions in the given porosity. These findings advance the understanding of phonon boundary scattering phenomena in complex geometries and enable optimal designs of artificial nanostructures for thermoelectric energy harvesting and solid-state cooling systems.

A correlative study on data from pork carcass and processed meat (Bauernspeck) for automatic estimation of chemical parameters by means of near-infrared spectroscopy.

PubMed

Boschetti, Lucio; Ottavian, Matteo; Facco, Pierantonio; Barolo, Massimiliano; Serva, Lorenzo; Balzan, Stefania; Novelli, Enrico

2013-11-01

The use of near-infrared spectroscopy (NIRS) is proposed in this study for the characterization of the quality parameters of a smoked and dry-cured meat product known as Bauernspeck (originally from Northern Italy), as well as of some technological traits of the pork carcass used for its manufacturing. In particular, NIRS is shown to successfully estimate several key quality parameters (including water activity, moisture, dry matter, ash and protein content), suggesting its suitability for real time application in replacement of expensive and time consuming chemical analysis. Furthermore, a correlative approach based on canonical correlation analysis was used to investigate the spectral regions that are mostly correlated to the characteristics of interest. The identification of these regions, which can be linked to the absorbance of the main functional chemical groups, is intended to provide a better understanding of the chemical structure of the substrate under investigation. Copyright © 2013 Elsevier Ltd. All rights reserved.

Natural abundance (25)Mg solid-state NMR of mg oxyanion systems: a combined experimental and computational study.

PubMed

Cahill, Lindsay S; Hanna, John V; Wong, Alan; Freitas, Jair C C; Yates, Jonathan R; Harris, Robin K; Smith, Mark E

2009-09-28

Solid-state (25)Mg magic angle spinning nuclear magnetic resonance (MAS NMR) data are reported from a range of organic and inorganic magnesium-oxyanion compounds at natural abundance. To constrain the determination of the NMR interaction parameters (delta(iso), chi(Q), eta(Q)) data have been collected at three external magnetic fields (11.7, 14.1 and 18.8 T). Corresponding NMR parameters have also been calculated by using density functional theory (DFT) methods using the GIPAW approach, with good correlations being established between experimental and calculated values of both chi(Q) and delta(iso). These correlations demonstrate that the (25)Mg NMR parameters are very sensitive to the structure, with small changes in the local Mg(2+) environment and the overall hydration state profoundly affecting the observed spectra. The observations suggest that (25)Mg NMR spectroscopy is a potentially potent probe for addressing some key problems in inorganic materials and of metal centres in biologically relevant molecules.

A Conceptual Wing Flutter Analysis Tool for Systems Analysis and Parametric Design Study

NASA Technical Reports Server (NTRS)

Mukhopadhyay, Vivek

2003-01-01

An interactive computer program was developed for wing flutter analysis in the conceptual design stage. The objective was to estimate flutt er instability boundaries of a typical wing, when detailed structural and aerodynamic data are not available. Effects of change in key flu tter parameters can also be estimated in order to guide the conceptual design. This userfriendly software was developed using MathCad and M atlab codes. The analysis method was based on non-dimensional paramet ric plots of two primary flutter parameters, namely Regier number and Flutter number, with normalization factors based on wing torsion stiffness, sweep, mass ratio, taper ratio, aspect ratio, center of gravit y location and pitch-inertia radius of gyration. These parametric plo ts were compiled in a Chance-Vought Corporation report from database of past experiments and wind tunnel test results. An example was prese nted for conceptual flutter analysis of outer-wing of a Blended-Wing- Body aircraft.

Ranges of Applicability for the Continuum-beam Model in the Constitutive Analysis of Carbon Nanotubes: Nanotubes or Nano-beams?

NASA Technical Reports Server (NTRS)

Harik, Vasyl Michael; Bushnell, Dennis M. (Technical Monitor)

2001-01-01

Ranges of validity for the continuum-beam model, the length-scale effects and continuum assumptions are analyzed in the framework of scaling analysis of NT structure. Two coupled criteria for the applicability of the continuum model are presented. Scaling analysis of NT buckling and geometric parameters (e.g., diameter and length) is carried out to determine the key non-dimensional parameters that control the buckling strains and modes of NT buckling. A model applicability map, which represents two classes of NTs, is constructed in the space of non-dimensional parameters. In an analogy with continuum mechanics, a mechanical law of geometric similitude is presented for two classes of beam-like NTs having different geometries. Expressions for the critical buckling loads and strains are tailored for the distinct groups of NTs and compared with the data provided by the molecular dynamics simulations. Implications for molecular dynamics simulations and the NT-based scanning probes are discussed.

Model reduction for experimental thermal characterization of a holding furnace

NASA Astrophysics Data System (ADS)

Loussouarn, Thomas; Maillet, Denis; Remy, Benjamin; Dan, Diane

2017-09-01

Vacuum holding induction furnaces are used for the manufacturing of turbine blades by loss wax foundry process. The control of solidification parameters is a key factor for the manufacturing of these parts. The definition of the structure of a reduced heat transfer model with experimental identification through an estimation of its parameters is required here. Internal sensors outputs, together with this model, can be used for assessing the thermal state of the furnace through an inverse approach, for a better control. Here, an axisymmetric furnace and its load have been numerically modelled using FlexPDE, a finite elements code. The internal induction heat source as well as the transient radiative transfer inside the furnace are calculated through this detailed model. A reduced lumped body model has been constructed to represent the numerical furnace. The model reduction and the estimation of the parameters of the lumped body have been made using a Levenberg-Marquardt least squares minimization algorithm, using two synthetic temperature signals with a further validation test.

Correlation Between Structural, Spectroscopic, and Reactivity Properties Within a Series of Structurally Analogous Metastable Manganese(III)-Alkylperoxo Complexes

PubMed Central

Coggins, Michael K.; Martin-Diaconescu, Vlad; DeBeer, Serena; Kovacs, Julie A.

2013-01-01

Manganese–peroxos are proposed as key intermediates in a number of important biochemical and synthetic transformations. Our understanding of the structural, spectroscopic, and reactivity properties of these metastable species is limited, however, and correlations between these properties have yet to be established experimentally. Herein we report the crystallographic structures of a series of structurally related metastable Mn(III)–OOR compounds, and examine their spectroscopic and reactivity properties. The four reported Mn(III)–OOR compounds extend the number of known end-on Mn(III)–(η1-peroxos) to six. The ligand backbone is shown to alter the metal–ligand distances and modulate the electronic properties key to bonding and activation of the peroxo. The mechanism of thermal decay of these metastable species is examined via variable-temperature kinetics. Strong correlations between structural (O–O and Mn⋯Npy,quin distances), spectroscopic (E(πv*(O–O) → Mn CT band), νO–O), and kinetic (ΔH‡ and ΔS‡) parameters for these complexes provide compelling evidence for rate-limiting O–O bond cleavage. Products identified in the final reaction mixtures of Mn(III)–OOR decay are consistent with homolytic O–O bond scission. The N-heterocyclic amines and ligand backbone (Et vs Pr) are found to modulate structural and reactivity properties, and O–O bond activation is shown, both experimentally and theoretically, to track with metal ion Lewis acidity. The peroxo O–O bond is shown to gradually become more activated as the N-heterocyclic amines move closer to the metal ion causing a decrease in π-donation from the peroxo πv*(O–O) orbital. The reported work represents one of very few examples of experimentally verified relationships between structure and function. PMID:23432090

Correlation between structural, spectroscopic, and reactivity properties within a series of structurally analogous metastable manganese(III)-alkylperoxo complexes.

PubMed

Coggins, Michael K; Martin-Diaconescu, Vlad; DeBeer, Serena; Kovacs, Julie A

2013-03-20

Manganese-peroxos are proposed as key intermediates in a number of important biochemical and synthetic transformations. Our understanding of the structural, spectroscopic, and reactivity properties of these metastable species is limited, however, and correlations between these properties have yet to be established experimentally. Herein we report the crystallographic structures of a series of structurally related metastable Mn(III)-OOR compounds, and examine their spectroscopic and reactivity properties. The four reported Mn(III)-OOR compounds extend the number of known end-on Mn(III)-(η(1)-peroxos) to six. The ligand backbone is shown to alter the metal-ligand distances and modulate the electronic properties key to bonding and activation of the peroxo. The mechanism of thermal decay of these metastable species is examined via variable-temperature kinetics. Strong correlations between structural (O-O and Mn···N(py,quin) distances), spectroscopic (E(πv*(O-O) → Mn CT band), ν(O-O)), and kinetic (ΔH(‡) and ΔS(‡)) parameters for these complexes provide compelling evidence for rate-limiting O-O bond cleavage. Products identified in the final reaction mixtures of Mn(III)-OOR decay are consistent with homolytic O-O bond scission. The N-heterocyclic amines and ligand backbone (Et vs Pr) are found to modulate structural and reactivity properties, and O-O bond activation is shown, both experimentally and theoretically, to track with metal ion Lewis acidity. The peroxo O-O bond is shown to gradually become more activated as the N-heterocyclic amines move closer to the metal ion causing a decrease in π-donation from the peroxo πv*(O-O) orbital. The reported work represents one of very few examples of experimentally verified relationships between structure and function.

Purification, characterization and crystallization of the human 80S ribosome

PubMed Central

Khatter, Heena; Myasnikov, Alexander G.; Mastio, Leslie; Billas, Isabelle M. L.; Birck, Catherine; Stella, Stefano; Klaholz, Bruno P.

2014-01-01

Ribosomes are key macromolecular protein synthesis machineries in the cell. Human ribosomes have so far not been studied to atomic resolution because of their particularly complex structure as compared with other eukaryotic or prokaryotic ribosomes, and they are difficult to prepare to high homogeneity, which is a key requisite for high-resolution structural work. We established a purification protocol for human 80S ribosomes isolated from HeLa cells that allows obtaining large quantities of homogenous samples as characterized by biophysical methods using analytical ultracentrifugation and multiangle laser light scattering. Samples prepared under different conditions were characterized by direct single particle imaging using cryo electron microscopy, which helped optimizing the preparation protocol. From a small data set, a 3D reconstruction at subnanometric resolution was obtained showing all prominent structural features of the human ribosome, and revealing a salt concentration dependence of the presence of the exit site tRNA, which we show is critical for obtaining crystals. With these well-characterized samples first human 80S ribosome crystals were obtained from several crystallization conditions in capillaries and sitting drops, which diffract to 26 Å resolution at cryo temperatures and for which the crystallographic parameters were determined, paving the way for future high-resolution work. PMID:24452798

Self-Optimized Biological Channels in Facilitating the Transmembrane Movement of Charged Molecules

PubMed Central

Huyen, V. T. N.; Lap, Vu Cong; Nguyen, V. Lien

2016-01-01

We consider an anisotropically two-dimensional diffusion of a charged molecule (particle) through a large biological channel under an external voltage. The channel is modeled as a cylinder of three structure parameters: radius, length, and surface density of negative charges located at the channel interior-lining. These charges induce inside the channel a potential that plays a key role in controlling the particle current through the channel. It was shown that to facilitate the transmembrane particle movement the channel should be reasonably self-optimized so that its potential coincides with the resonant one, resulting in a large particle current across the channel. Observed facilitation appears to be an intrinsic property of biological channels, regardless of the external voltage or the particle concentration gradient. This facilitation is very selective in the sense that a channel of definite structure parameters can facilitate the transmembrane movement of only particles of proper valence at corresponding temperatures. Calculations also show that the modeled channel is nonohmic with the ion conductance which exhibits a resonance at the same channel potential as that identified in the current. PMID:27022394

Electrical and Structural Analysis on the Formation of n-type Junction in Germanium

NASA Astrophysics Data System (ADS)

Aziz, Umar Abdul; Nadhirah Mohamad Rashid, Nur; Rahmah Aid, Siti; Centeno, Anthony; Ikenoue, Hiroshi; Xie, Fang

2017-05-01

Germanium (Ge) has re-emerged as a potential candidate to replace silicon (Si) as a substrate, due to its higher carrier mobility properties that are the key point for the realization of devices high drive current. However, the fabrication process of Ge is confronted with many problems such as low dopant electrical activation and the utilization of heavy n-type dopant atoms during ion implantation. These problems result in more damage and defects that can affect dopant activation. This paper reports the electrical and structural analysis on the formation of n-type junction in Ge substrate by ion implantation, followed by excimer laser annealing (ELA) using KrF laser. ELA parameters such as laser fluences were varied from 100 - 2000 mJ/cm2 and shot number between 1 - 1000 to obtain the optimized parameter of ELA with a high degree of damage and defect removal. Low resistance with a high degree of crystallinity is obtained for the samples annealed with less than five shot number. Higher shot number with high laser fluence, shows a high degree of ablation damage.

Metallic coatings of microelectromechanical structures at low temperatures: Stress, elasticity, and nonlinear dissipation

NASA Astrophysics Data System (ADS)

Collin, E.; Kofler, J.; Lakhloufi, S.; Pairis, S.; Bunkov, Yu. M.; Godfrin, H.

2010-06-01

We present mechanical measurements performed at low temperatures on cantilever-based microelectromechanical structures coated with a metallic layer. Two very different coatings are presented in order to illustrate the capabilities of the present approach, namely (soft) aluminum and (hard) niobium oxide. The temperature is used as a control parameter to access materials properties. We benefit from low temperature techniques to extract a phase-resolved measurement of the first mechanical resonance mode in cryogenic vacuum. By repeating the experiment on the same samples, after multiple metallic depositions, we can determine accurately the contribution of the coating layers to the mechanical properties in terms of surface stress, additional mass, additional elasticity, and damping. Analytic theoretical expressions are derived and used to fit the data. Taking advantage of the extremely broad dynamic range provided by the technique, we can measure the anelasticity of the thin metallic film. The key parameters describing the metals' dynamics are analyzed in an original way in order to provide new experimental grounds for future theoretical modelings of the underlying mechanisms.

Spin dynamics and frequency dependence of magnetic damping study in soft ferromagnetic FeTaC film with a stripe domain structure

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

Samantaray, B., E-mail: iitg.biswanath@gmail.com; Ranganathan, R.; Mandal, P.

Perpendicular magnetic anisotropy (PMA) and low magnetic damping are the key factors for the free layer magnetization switching by spin transfer torque technique in magnetic tunnel junction devices. The magnetization precessional dynamics in soft ferromagnetic FeTaC thin film with a stripe domain structure was explored in broad band frequency range by employing micro-strip ferromagnetic resonance technique. The polar angle variation of resonance field and linewidth at different frequencies have been analyzed numerically using Landau-Lifshitz-Gilbert equation by taking into account the total free energy density of the film. The numerically estimated parameters Landé g-factor, PMA constant, and effective magnetization are foundmore » to be 2.1, 2 × 10{sup 5} erg/cm{sup 3} and 7145 Oe, respectively. The frequency dependence of Gilbert damping parameter (α) is evaluated by considering both intrinsic and extrinsic effects into the total linewidth analysis. The value of α is found to be 0.006 at 10 GHz and it increases monotonically with decreasing precessional frequency.« less

Interfacial engineering of pyridinium gemini surfactants for the generation of synthetic transfection systems.

PubMed

Sharma, Vishnu D; Aifuwa, Eronmwon O; Heiney, Paul A; Ilies, Marc A

2013-09-01

Pyridinium gemini surfactants possess a soft charge, a high charge/mass ratio and a high molecular flexibility - all key parameters that recommend their use in synthetic gene delivery systems with in vitro and in vivo efficiency. In present study we generated a DNA delivery system through interfacial engineering of pyridinium gemini surfactants at the level of linker, hydrophobic chains and counterions. The self-assembling of the pyridinium amphiphiles and the physicochemical properties of the resultant supra-molecular assemblies were studied in bulk and in solution through a combination of techniques that included DSC, X-ray diffraction, polarized microscopy, CMC, dynamic light scattering and zeta potential measurements. We assessed the impact of different structural elements and formulation parameters of these pyridinium amphiphiles on their DNA compaction properties, transfection efficiency, cytotoxicity, in a complete structure-activity relationship study. This interfacial engineering process generated transfection systems with reduced cytotoxicity and high transfection efficiency in media containing elevated levels of serum that mimic the in vivo conditions. Copyright © 2013 Elsevier Ltd. All rights reserved.

Anomalies of thermal expansion and electrical resistivity of layered cobaltates YBaCo2O5 + x : The role of oxygen chain ordering

NASA Astrophysics Data System (ADS)

Zhdanov, K. R.; Kameneva, M. Yu.; Kozeeva, L. P.; Lavrov, A. N.

2016-08-01

Layered cobaltates YBaCo2O5 + x have been investigated in the oxygen concentration range 0.23 ≤ x ≤ 0.52. It has been revealed that the oxygen ordering plays the key role in the appearance of anomalies in temperature dependences of structural parameters and electron transport. It has been shown that the orthorhombic lattice distortion caused by oxygen chain ordering is a necessary "trigger" for the phase transition from the insulating state to the metallic state at T ≈ 290-295 K, after which the orthorhombic distortion is significantly more pronounced. In the boundary region of the cobaltate compositions, where the oxygen ordering has a partial or local character, there are additional low-temperature (100-240 K) structural and resistive features with a large hysteresis. The observed anomalies can be explained by a change in the spin state of the cobalt ions, which is extremely sensitive to parameters of the crystal field acting on the ions, as well as by the spin-transition-induced delocalization of electrons.

From LCAs to simplified models: a generic methodology applied to wind power electricity.

PubMed

Padey, Pierryves; Girard, Robin; le Boulch, Denis; Blanc, Isabelle

2013-02-05

This study presents a generic methodology to produce simplified models able to provide a comprehensive life cycle impact assessment of energy pathways. The methodology relies on the application of global sensitivity analysis to identify key parameters explaining the impact variability of systems over their life cycle. Simplified models are built upon the identification of such key parameters. The methodology is applied to one energy pathway: onshore wind turbines of medium size considering a large sample of possible configurations representative of European conditions. Among several technological, geographical, and methodological parameters, we identified the turbine load factor and the wind turbine lifetime as the most influent parameters. Greenhouse Gas (GHG) performances have been plotted as a function of these key parameters identified. Using these curves, GHG performances of a specific wind turbine can be estimated, thus avoiding the undertaking of an extensive Life Cycle Assessment (LCA). This methodology should be useful for decisions makers, providing them a robust but simple support tool for assessing the environmental performance of energy systems.

Study on Multi-stage Logistics System Design Problem with Inventory Considering Demand Change by Hybrid Genetic Algorithm

NASA Astrophysics Data System (ADS)

Inoue, Hisaki; Gen, Mitsuo

The logistics model used in this study is 3-stage model employed by an automobile company, which aims to solve traffic problems at a total minimum cost. Recently, research on the metaheuristics method has advanced as an approximate means for solving optimization problems like this model. These problems can be solved using various methods such as the genetic algorithm (GA), simulated annealing, and tabu search. GA is superior in robustness and adjustability toward a change in the structure of these problems. However, GA has a disadvantage in that it has a slightly inefficient search performance because it carries out a multi-point search. A hybrid GA that combines another method is attracting considerable attention since it can compensate for a fault to a partial solution that early convergence gives a bad influence on a result. In this study, we propose a novel hybrid random key-based GA(h-rkGA) that combines local search and parameter tuning of crossover rate and mutation rate; h-rkGA is an improved version of the random key-based GA (rk-GA). We attempted comparative experiments with spanning tree-based GA, priority based GA and random key-based GA. Further, we attempted comparative experiments with “h-GA by only local search” and “h-GA by only parameter tuning”. We reported the effectiveness of the proposed method on the basis of the results of these experiments.

A comparison of random draw and locally neutral models for the avifauna of an English woodland.

PubMed

Dolman, Andrew M; Blackburn, Tim M

2004-06-03

Explanations for patterns observed in the structure of local assemblages are frequently sought with reference to interactions between species, and between species and their local environment. However, analyses of null models, where non-interactive local communities are assembled from regional species pools, have demonstrated that much of the structure of local assemblages remains in simulated assemblages where local interactions have been excluded. Here we compare the ability of two null models to reproduce the breeding bird community of Eastern Wood, a 16-hectare woodland in England, UK. A random draw model, in which there is complete annual replacement of the community by immigrants from the regional pool, is compared to a locally neutral community model, in which there are two additional parameters describing the proportion of the community replaced annually (per capita death rate) and the proportion of individuals recruited locally rather than as immigrants from the regional pool. Both the random draw and locally neutral model are capable of reproducing with significant accuracy several features of the observed structure of the annual Eastern Wood breeding bird community, including species relative abundances, species richness and species composition. The two additional parameters present in the neutral model result in a qualitatively more realistic representation of the Eastern Wood breeding bird community, particularly of its dynamics through time. The fact that these parameters can be varied, allows for a close quantitative fit between model and observed communities to be achieved, particularly with respect to annual species richness and species accumulation through time. The presence of additional free parameters does not detract from the qualitative improvement in the model and the neutral model remains a model of local community structure that is null with respect to species differences at the local scale. The ability of this locally neutral model to describe a larger number of woodland bird communities with either little variation in its parameters or with variation explained by features local to the woods themselves (such as the area and isolation of a wood) will be a key subsequent test of its relevance.

A Study on the Effect of Electrodeposition Parameters on the Morphology of Porous Nickel Electrodeposits

NASA Astrophysics Data System (ADS)

Sengupta, Srijan; Patra, Arghya; Jena, Sambedan; Das, Karabi; Das, Siddhartha

2018-03-01

In this study, the electrodeposition of nickel foam by dynamic hydrogen bubble-template method is optimized, and the effects of key deposition parameters (applied voltage and deposition time) and bath composition (concentration of Ni2+, pH of the bath, and roles of Cl- and SO4 2- ions) on pore size, distribution, and morphology and crystal structure are studied. Nickel deposit from 0.1 M NiCl2 bath concentration is able to produce the honeycomb-like structure with regular-sized holes. Honeycomb-like structure with cauliflower morphology is deposited at higher applied voltages of 7, 8, and 9 V; and a critical time (>3 minutes) is required for the development of the foamy structure. Compressive residual stresses are developed in the porous electrodeposits after 30 seconds of deposition time (-189.0 MPa), and the nature of the residual stress remains compressive upto 10 minutes of deposition time (-1098.6 MPa). Effect of pH is more pronounced in a chloride bath compared with a sulfate bath. The increasing nature of pore size in nickel electrodeposits plated from a chloride bath (varying from 21 to 48 μm), and the constant pore size (in the range of 22 to 24 μm) in deposits plated from a sulfate bath, can be ascribed to the striking difference in the magnitude of the corresponding current-time profiles.

Key parameters design of an aerial target detection system on a space-based platform

NASA Astrophysics Data System (ADS)

Zhu, Hanlu; Li, Yejin; Hu, Tingliang; Rao, Peng

2018-02-01

To ensure flight safety of an aerial aircraft and avoid recurrence of aircraft collisions, a method of multi-information fusion is proposed to design the key parameter to realize aircraft target detection on a space-based platform. The key parameters of a detection wave band and spatial resolution using the target-background absolute contrast, target-background relative contrast, and signal-to-clutter ratio were determined. This study also presented the signal-to-interference ratio for analyzing system performance. Key parameters are obtained through the simulation of a specific aircraft. And the simulation results show that the boundary ground sampling distance is 30 and 35 m in the mid- wavelength infrared (MWIR) and long-wavelength infrared (LWIR) bands for most aircraft detection, and the most reasonable detection wavebands is 3.4 to 4.2 μm and 4.35 to 4.5 μm in the MWIR bands, and 9.2 to 9.8 μm in the LWIR bands. We also found that the direction of detection has a great impact on the detection efficiency, especially in MWIR bands.

Sensitivity Analysis of an ENteric Immunity SImulator (ENISI)-Based Model of Immune Responses to Helicobacter pylori Infection

PubMed Central

Alam, Maksudul; Deng, Xinwei; Philipson, Casandra; Bassaganya-Riera, Josep; Bisset, Keith; Carbo, Adria; Eubank, Stephen; Hontecillas, Raquel; Hoops, Stefan; Mei, Yongguo; Abedi, Vida; Marathe, Madhav

2015-01-01

Agent-based models (ABM) are widely used to study immune systems, providing a procedural and interactive view of the underlying system. The interaction of components and the behavior of individual objects is described procedurally as a function of the internal states and the local interactions, which are often stochastic in nature. Such models typically have complex structures and consist of a large number of modeling parameters. Determining the key modeling parameters which govern the outcomes of the system is very challenging. Sensitivity analysis plays a vital role in quantifying the impact of modeling parameters in massively interacting systems, including large complex ABM. The high computational cost of executing simulations impedes running experiments with exhaustive parameter settings. Existing techniques of analyzing such a complex system typically focus on local sensitivity analysis, i.e. one parameter at a time, or a close “neighborhood” of particular parameter settings. However, such methods are not adequate to measure the uncertainty and sensitivity of parameters accurately because they overlook the global impacts of parameters on the system. In this article, we develop novel experimental design and analysis techniques to perform both global and local sensitivity analysis of large-scale ABMs. The proposed method can efficiently identify the most significant parameters and quantify their contributions to outcomes of the system. We demonstrate the proposed methodology for ENteric Immune SImulator (ENISI), a large-scale ABM environment, using a computational model of immune responses to Helicobacter pylori colonization of the gastric mucosa. PMID:26327290

Sensitivity Analysis of an ENteric Immunity SImulator (ENISI)-Based Model of Immune Responses to Helicobacter pylori Infection.

PubMed

Alam, Maksudul; Deng, Xinwei; Philipson, Casandra; Bassaganya-Riera, Josep; Bisset, Keith; Carbo, Adria; Eubank, Stephen; Hontecillas, Raquel; Hoops, Stefan; Mei, Yongguo; Abedi, Vida; Marathe, Madhav

2015-01-01

Agent-based models (ABM) are widely used to study immune systems, providing a procedural and interactive view of the underlying system. The interaction of components and the behavior of individual objects is described procedurally as a function of the internal states and the local interactions, which are often stochastic in nature. Such models typically have complex structures and consist of a large number of modeling parameters. Determining the key modeling parameters which govern the outcomes of the system is very challenging. Sensitivity analysis plays a vital role in quantifying the impact of modeling parameters in massively interacting systems, including large complex ABM. The high computational cost of executing simulations impedes running experiments with exhaustive parameter settings. Existing techniques of analyzing such a complex system typically focus on local sensitivity analysis, i.e. one parameter at a time, or a close "neighborhood" of particular parameter settings. However, such methods are not adequate to measure the uncertainty and sensitivity of parameters accurately because they overlook the global impacts of parameters on the system. In this article, we develop novel experimental design and analysis techniques to perform both global and local sensitivity analysis of large-scale ABMs. The proposed method can efficiently identify the most significant parameters and quantify their contributions to outcomes of the system. We demonstrate the proposed methodology for ENteric Immune SImulator (ENISI), a large-scale ABM environment, using a computational model of immune responses to Helicobacter pylori colonization of the gastric mucosa.

Novel image encryption algorithm based on multiple-parameter discrete fractional random transform

NASA Astrophysics Data System (ADS)

Zhou, Nanrun; Dong, Taiji; Wu, Jianhua

2010-08-01

A new method of digital image encryption is presented by utilizing a new multiple-parameter discrete fractional random transform. Image encryption and decryption are performed based on the index additivity and multiple parameters of the multiple-parameter fractional random transform. The plaintext and ciphertext are respectively in the spatial domain and in the fractional domain determined by the encryption keys. The proposed algorithm can resist statistic analyses effectively. The computer simulation results show that the proposed encryption algorithm is sensitive to the multiple keys, and that it has considerable robustness, noise immunity and security.

Effect of Thermal Budget on the Electrical Characterization of Atomic Layer Deposited HfSiO/TiN Gate Stack MOSCAP Structure

PubMed Central

Khan, Z. N.; Ahmed, S.; Ali, M.

2016-01-01

Metal Oxide Semiconductor (MOS) capacitors (MOSCAP) have been instrumental in making CMOS nano-electronics realized for back-to-back technology nodes. High-k gate stacks including the desirable metal gate processing and its integration into CMOS technology remain an active research area projecting the solution to address the requirements of technology roadmaps. Screening, selection and deposition of high-k gate dielectrics, post-deposition thermal processing, choice of metal gate structure and its post-metal deposition annealing are important parameters to optimize the process and possibly address the energy efficiency of CMOS electronics at nano scales. Atomic layer deposition technique is used throughout this work because of its known deposition kinetics resulting in excellent electrical properties and conformal structure of the device. The dynamics of annealing greatly influence the electrical properties of the gate stack and consequently the reliability of the process as well as manufacturable device. Again, the choice of the annealing technique (migration of thermal flux into the layer), time-temperature cycle and sequence are key parameters influencing the device’s output characteristics. This work presents a careful selection of annealing process parameters to provide sufficient thermal budget to Si MOSCAP with atomic layer deposited HfSiO high-k gate dielectric and TiN gate metal. The post-process annealing temperatures in the range of 600°C -1000°C with rapid dwell time provide a better trade-off between the desirable performance of Capacitance-Voltage hysteresis and the leakage current. The defect dynamics is thought to be responsible for the evolution of electrical characteristics in this Si MOSCAP structure specifically designed to tune the trade-off at low frequency for device application. PMID:27571412

Development of an Agent-Based Model (ABM) to Simulate the Immune System and Integration of a Regression Method to Estimate the Key ABM Parameters by Fitting the Experimental Data

PubMed Central

Tong, Xuming; Chen, Jinghang; Miao, Hongyu; Li, Tingting; Zhang, Le

2015-01-01

Agent-based models (ABM) and differential equations (DE) are two commonly used methods for immune system simulation. However, it is difficult for ABM to estimate key parameters of the model by incorporating experimental data, whereas the differential equation model is incapable of describing the complicated immune system in detail. To overcome these problems, we developed an integrated ABM regression model (IABMR). It can combine the advantages of ABM and DE by employing ABM to mimic the multi-scale immune system with various phenotypes and types of cells as well as using the input and output of ABM to build up the Loess regression for key parameter estimation. Next, we employed the greedy algorithm to estimate the key parameters of the ABM with respect to the same experimental data set and used ABM to describe a 3D immune system similar to previous studies that employed the DE model. These results indicate that IABMR not only has the potential to simulate the immune system at various scales, phenotypes and cell types, but can also accurately infer the key parameters like DE model. Therefore, this study innovatively developed a complex system development mechanism that could simulate the complicated immune system in detail like ABM and validate the reliability and efficiency of model like DE by fitting the experimental data. PMID:26535589

Atomistic modeling of structure II gas hydrate mechanics: Compressibility and equations of state

NASA Astrophysics Data System (ADS)

Vlasic, Thomas M.; Servio, Phillip; Rey, Alejandro D.

2016-08-01

This work uses density functional theory (DFT) to investigate the poorly characterized structure II gas hydrates, for various guests (empty, propane, butane, ethane-methane, propane-methane), at the atomistic scale to determine key structure and mechanical properties such as equilibrium lattice volume and bulk modulus. Several equations of state (EOS) for solids (Murnaghan, Birch-Murnaghan, Vinet, Liu) were fitted to energy-volume curves resulting from structure optimization simulations. These EOS, which can be used to characterize the compressional behaviour of gas hydrates, were evaluated in terms of their robustness. The three-parameter Vinet EOS was found to perform just as well if not better than the four-parameter Liu EOS, over the pressure range in this study. As expected, the Murnaghan EOS proved to be the least robust. Furthermore, the equilibrium lattice volumes were found to increase with guest size, with double-guest hydrates showing a larger increase than single-guest hydrates, which has significant implications for the widely used van der Waals and Platteeuw thermodynamic model for gas hydrates. Also, hydrogen bonds prove to be the most likely factor contributing to the resistance of gas hydrates to compression; bulk modulus was found to increase linearly with hydrogen bond density, resulting in a relationship that could be used predictively to determine the bulk modulus of various structure II gas hydrates. Taken together, these results fill a long existing gap in the material chemical physics of these important clathrates.

Atomistic modeling of structure II gas hydrate mechanics: Compressibility and equations of state

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

Vlasic, Thomas M.; Servio, Phillip; Rey, Alejandro D., E-mail: alejandro.rey@mcgill.ca

2016-08-15

This work uses density functional theory (DFT) to investigate the poorly characterized structure II gas hydrates, for various guests (empty, propane, butane, ethane-methane, propane-methane), at the atomistic scale to determine key structure and mechanical properties such as equilibrium lattice volume and bulk modulus. Several equations of state (EOS) for solids (Murnaghan, Birch-Murnaghan, Vinet, Liu) were fitted to energy-volume curves resulting from structure optimization simulations. These EOS, which can be used to characterize the compressional behaviour of gas hydrates, were evaluated in terms of their robustness. The three-parameter Vinet EOS was found to perform just as well if not better thanmore » the four-parameter Liu EOS, over the pressure range in this study. As expected, the Murnaghan EOS proved to be the least robust. Furthermore, the equilibrium lattice volumes were found to increase with guest size, with double-guest hydrates showing a larger increase than single-guest hydrates, which has significant implications for the widely used van der Waals and Platteeuw thermodynamic model for gas hydrates. Also, hydrogen bonds prove to be the most likely factor contributing to the resistance of gas hydrates to compression; bulk modulus was found to increase linearly with hydrogen bond density, resulting in a relationship that could be used predictively to determine the bulk modulus of various structure II gas hydrates. Taken together, these results fill a long existing gap in the material chemical physics of these important clathrates.« less

Quantifying structural states of soft mudrocks

NASA Astrophysics Data System (ADS)

Li, B.; Wong, R. C. K.

2016-05-01

In this paper, a cm model is proposed to quantify structural states of soft mudrocks, which are dependent on clay fractions and porosities. Physical properties of natural and reconstituted soft mudrock samples are used to derive two parameters in the cm model. With the cm model, a simplified homogenization approach is proposed to estimate geomechanical properties and fabric orientation distributions of soft mudrocks based on the mixture theory. Soft mudrocks are treated as a mixture of nonclay minerals and clay-water composites. Nonclay minerals have a high stiffness and serve as a structural framework of mudrocks when they have a high volume fraction. Clay-water composites occupy the void space among nonclay minerals and serve as an in-fill matrix. With the increase of volume fraction of clay-water composites, there is a transition in the structural state from the state of framework supported to the state of matrix supported. The decreases in shear strength and pore size as well as increases in compressibility and anisotropy in fabric are quantitatively related to such transition. The new homogenization approach based on the proposed cm model yields better performance evaluation than common effective medium modeling approaches because the interactions among nonclay minerals and clay-water composites are considered. With wireline logging data, the cm model is applied to quantify the structural states of Colorado shale formations at different depths in the Cold Lake area, Alberta, Canada. Key geomechancial parameters are estimated based on the proposed homogenization approach and the critical intervals with low strength shale formations are identified.

Study of thermal stability of Cu{sub 2}Se thermoelectric material

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

Bohra, Anil, E-mail: anilbohra786@gmail.com; Bhatt, Ranu; Bhattacharya, Shovit

2016-05-23

Sustainability of thermoelectric parameter in operating temperature range is a key consideration factor for fabricating thermoelectric generator or cooler. In present work, we have studied the stability of thermoelectric parameter of Cu{sub 2}Se within the temperature range of 50-800°C. Temperature dependent Seebeck coefficients and electrical resistivity measurement are performed under three continuous thermal cycles. X-ray diffraction pattern shows the presence of mixed cubic-monoclinic Cu{sub 2}Se phase in bare pellet which transforms to pure α-Cu{sub 2}Se phase with repeating thermal cycle. Significant enhancement in Seebeck coefficient and electrical resistivity is observed which may be attributed to (i) Se loss observed inmore » EDS and (ii) the phase transformation from mixed cubic-monoclinic structure to pure monoclinic α-Cu{sub 2}Se phase.« less

Study on film resistivity of Energy Conversion Components for MEMS Initiating Explosive Device

NASA Astrophysics Data System (ADS)

Ren, Wei; Zhang, Bin; Zhao, Yulong; Chu, Enyi; Yin, Ming; Li, Hui; Wang, Kexuan

2018-03-01

Resistivity of Plane-film Energy Conversion Components is a key parameter to influence its resistance and explosive performance, and also it has important relations with the preparation of thin film technology, scale, structure and etc. In order to improve the design of Energy Conversion Components for MEMS Initiating Explosive Device, and reduce the design deviation of Energy Conversion Components in microscale, guarantee the design resistance and ignition performance of MEMS Initiating Explosive Device, this paper theoretically analyzed the influence factors of film resistivity in microscale, through the preparation of Al film and Ni-Cr film at different thickness with micro/nano, then obtain the film resistivity parameter of the typical metal under different thickness, and reveals the effect rule of the scale to the resistivity in microscale, at the same time we obtain the corresponding inflection point data.

Application of tire dynamics to aircraft landing gear design analysis

NASA Technical Reports Server (NTRS)

Black, R. J.

1983-01-01

The tire plays a key part in many analyses used for design of aircraft landing gear. Examples include structural design of wheels, landing gear shimmy, brake whirl, chatter and squeal, complex combination of chatter and shimmy on main landing gear (MLG) systems, anti-skid performance, gear walk, and rough terrain loads and performance. Tire parameters needed in the various analyses are discussed. Two tire models are discussed for shimmy analysis, the modified Moreland approach and the von Schlippe-Dietrich approach. It is shown that the Moreland model can be derived from the Von Schlippe-Dietrich model by certain approximations. The remaining analysis areas are discussed in general terms and the tire parameters needed for each are identified. Accurate tire data allows more accurate design analysis and the correct prediction of dynamic performance of aircraft landing gear.

Influence of Thunderstorms on the Structure of the Ionosphere using Composite Analysis

NASA Astrophysics Data System (ADS)

Nava, O.; Sutherland, E.

2017-12-01

It is well known in the amateur (ham) radio community that thunderstorms have a significant influence on local and long-distance high-frequency (HF) communications. This study aims to characterize the structure of the ionosphere in response to strong convective activity and cloud electrification. Superposed Epoch Analysis is applied to surface weather observations and ionosonde data at Eglin Air Force Base, Florida from August 2014 to July 2017. Preliminary results indicate that thunderstorms significantly modify the structure of the ionosphere, generating statistically different measurements of several key parameters (e.g., foEs, hmF2, ITEC) compared to clear-sky observations. Seasonal and diurnal influences between the thunderstorm and clear sky cases are also explored. Accurate characterization of the ionosphere in response to thunderstorms has important implications for the effective use of HF communications in civilian and military operations, to include emergency services, aviation, amateur radio, and over-the-horizon radar.

An implicit divalent counterion force field for RNA molecular dynamics

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

Henke, Paul S.; Mak, Chi H., E-mail: cmak@usc.edu; Center of Applied Mathematical Sciences, University of Southern California, Los Angeles, California 90089

How to properly account for polyvalent counterions in a molecular dynamics simulation of polyelectrolytes such as nucleic acids remains an open question. Not only do counterions such as Mg{sup 2+} screen electrostatic interactions, they also produce attractive intrachain interactions that stabilize secondary and tertiary structures. Here, we show how a simple force field derived from a recently reported implicit counterion model can be integrated into a molecular dynamics simulation for RNAs to realistically reproduce key structural details of both single-stranded and base-paired RNA constructs. This divalent counterion model is computationally efficient. It works with existing atomistic force fields, or coarse-grainedmore » models may be tuned to work with it. We provide optimized parameters for a coarse-grained RNA model that takes advantage of this new counterion force field. Using the new model, we illustrate how the structural flexibility of RNA two-way junctions is modified under different salt conditions.« less

The ambivalent effect of lattice structure on a spatial game

NASA Astrophysics Data System (ADS)

Zhang, Hui; Gao, Meng; Li, Zizhen; Maa, Zhihui; Wang, Hailong

2011-06-01

The evolution of cooperation is studied in lattice-structured populations, in which each individual who adopts one of the following strategies ‘always defect' (ALLD), ‘tit-for-tat' (TFT), and ‘always cooperate' (ALLC) plays the repeated Prisoner's Dilemma game with its neighbors according to an asynchronous update rule. Computer simulations are applied to analyse the dynamics depending on major parameters. Mathematical analyses based on invasion probability analysis, mean-field approximation, as well as pair approximation are also used. We find that the lattice structure promotes the evolution of cooperation compared with a non-spatial population, this is also confirmed by invasion probability analysis in one dimension. Meanwhile, it also inhibits the evolution of cooperation due to the advantage of being spiteful, which indicates the key role of specific life-history assumptions. Mean-field approximation fails to predict the outcome of computer simulations. Pair approximation is accurate in two dimensions but fails in one dimension.

Polarization independent subtractive color printing based on ultrathin hexagonal nanodisk-nanohole hybrid structure arrays.

PubMed

Zhao, Jiancun; Yu, Xiaochang; Yang, Xiaoming; Xiang, Quan; Duan, Huigao; Yu, Yiting

2017-09-18

Structural color printing based on plasmonic metasurfaces has been recognized as a promising alternative to the conventional dye colorants, though the color brightness and polarization tolerance are still a great challenge for practical applications. In this work, we report a novel plasmonic metasurface for subtractive color printing employing the ultrathin hexagonal nanodisk-nanohole hybrid structure arrays. Through both the experimental and numerical investigations, the subtractive color thus generated taking advantages of extraordinary low transmission (ELT) exhibits high brightness, polarization independence and wide color tunability by varying key geometrical parameters. In addition, other regular patterns including square, pentagonal and circular shapes are also surveyed, and reveal a high color brightness, wide gamut and polarization independence as well. These results indicate that the demonstrated plasmonic metasurface has various potential applications in high-definition displays, high-density optical data storage, imaging and filtering technologies.

Exploring the Early Structure of a Rapidly Decompressed Particle Bed

NASA Astrophysics Data System (ADS)

Zunino, Heather; Adrian, R. J.; Clarke, Amanda; Johnson, Blair; Arizona State University Collaboration

2017-11-01

Rapid expansion of dense, pressurized beds of fine particles subjected to rapid reduction of the external pressure is studied in a vertical shock tube. A near-sonic expansion wave impinges on the particle bed-gas interface and rapidly unloads the particle bed. A high-speed video camera captures events occurring during bed expansion. The particle bed does not expand homogeneously, but breaks down into horizontal slabs and then transforms into a cellular-type structure. There are several key parameters that affect the particle bed evolution, including particle size and initial bed height. Analyses of this bed structure evolution from experiments with varying particle sizes and initial bed heights is presented. This work is supported by the U.S. Department of Energy, National Nuclear Security Administration, Advanced Simulation and Computing Program, as a Cooperative Agreement under the Predictive Science and Academic Alliance Program, under Contract No. DE-NA0002378.

Characterising the structural properties of polymer separators for lithium-ion batteries in 3D using phase contrast X-ray microscopy

NASA Astrophysics Data System (ADS)

Finegan, Donal P.; Cooper, Samuel J.; Tjaden, Bernhard; Taiwo, Oluwadamilola O.; Gelb, Jeff; Hinds, Gareth; Brett, Dan J. L.; Shearing, Paul R.

2016-11-01

Separators are an integral component for optimising performance and safety of lithium-ion batteries; therefore, a clear understanding of how their microstructure affects cell performance and safety is crucial. Phase contrast X-ray microscopy is used here to capture the microstructures of commercial monolayer, tri-layer, and ceramic-coated lithium-ion battery polymer separators. Spatial variations in key structural parameters, including porosity, tortuosity factor and pore size distribution, are determined through the application of 3D quantification techniques and stereology. The architectures of individual layers in multi-layer membranes are characterised, revealing anisotropy in porosity, tortuosity factor and mean pore size of the three types of separator. Detailed structural properties of the individual layers of multi-layered membranes are then related with their expected effect on safety and rate capability of cells.

Estimating unknown parameters in haemophilia using expert judgement elicitation.

PubMed

Fischer, K; Lewandowski, D; Janssen, M P

2013-09-01

The increasing attention to healthcare costs and treatment efficiency has led to an increasing demand for quantitative data concerning patient and treatment characteristics in haemophilia. However, most of these data are difficult to obtain. The aim of this study was to use expert judgement elicitation (EJE) to estimate currently unavailable key parameters for treatment models in severe haemophilia A. Using a formal expert elicitation procedure, 19 international experts provided information on (i) natural bleeding frequency according to age and onset of bleeding, (ii) treatment of bleeds, (iii) time needed to control bleeding after starting secondary prophylaxis, (iv) dose requirements for secondary prophylaxis according to onset of bleeding, and (v) life-expectancy. For each parameter experts provided their quantitative estimates (median, P10, P90), which were combined using a graphical method. In addition, information was obtained concerning key decision parameters of haemophilia treatment. There was most agreement between experts regarding bleeding frequencies for patients treated on demand with an average onset of joint bleeding (1.7 years): median 12 joint bleeds per year (95% confidence interval 0.9-36) for patients ≤ 18, and 11 (0.8-61) for adult patients. Less agreement was observed concerning estimated effective dose for secondary prophylaxis in adults: median 2000 IU every other day The majority (63%) of experts expected that a single minor joint bleed could cause irreversible damage, and would accept up to three minor joint bleeds or one trauma related joint bleed annually on prophylaxis. Expert judgement elicitation allowed structured capturing of quantitative expert estimates. It generated novel data to be used in computer modelling, clinical care, and trial design. © 2013 John Wiley & Sons Ltd.

Direct-Write Fabrication of Cellulose Nano-Structures via Focused Electron Beam Induced Nanosynthesis

PubMed Central

Ganner, Thomas; Sattelkow, Jürgen; Rumpf, Bernhard; Eibinger, Manuel; Reishofer, David; Winkler, Robert; Nidetzky, Bernd; Spirk, Stefan; Plank, Harald

2016-01-01

In many areas of science and technology, patterned films and surfaces play a key role in engineering and development of advanced materials. Here, we introduce a new generic technique for the fabrication of polysaccharide nano-structures via focused electron beam induced conversion (FEBIC). For the proof of principle, organosoluble trimethylsilyl-cellulose (TMSC) thin films have been deposited by spin coating on SiO2 / Si and exposed to a nano-sized electron beam. It turns out that in the exposed areas an electron induced desilylation reaction takes place converting soluble TMSC to rather insoluble cellulose. After removal of the unexposed TMSC areas, structured cellulose patterns remain on the surface with FWHM line widths down to 70 nm. Systematic FEBIC parameter sweeps reveal a generally electron dose dependent behavior with three working regimes: incomplete conversion, ideal doses and over exposure. Direct (FT-IR) and indirect chemical analyses (enzymatic degradation) confirmed the cellulosic character of ideally converted areas. These investigations are complemented by a theoretical model which suggests a two-step reaction process by means of TMSC → cellulose and cellulose → non-cellulose material conversion in excellent agreement with experimental data. The extracted, individual reaction rates allowed the derivation of design rules for FEBIC parameters towards highest conversion efficiencies and highest lateral resolution. PMID:27585861

Structure Optimization of a Grain Impact Piezoelectric Sensor and Its Application for Monitoring Separation Losses on Tangential-Axial Combine Harvesters

PubMed Central

Liang, Zhenwei; Li, Yaoming; Zhao, Zhan; Xu, Lizhang

2015-01-01

Grain separation losses is a key parameter to weigh the performance of combine harvesters, and also a dominant factor for automatically adjusting their major working parameters. The traditional separation losses monitoring method mainly rely on manual efforts, which require a high labor intensity. With recent advancements in sensor technology, electronics and computational processing power, this paper presents an indirect method for monitoring grain separation losses in tangential-axial combine harvesters in real-time. Firstly, we developed a mathematical monitoring model based on detailed comparative data analysis of different feeding quantities. Then, we developed a grain impact piezoelectric sensor utilizing a YT-5 piezoelectric ceramic as the sensing element, and a signal process circuit designed according to differences in voltage amplitude and rise time of collision signals. To improve the sensor performance, theoretical analysis was performed from a structural vibration point of view, and the optimal sensor structural has been selected. Grain collide experiments have shown that the sensor performance was greatly improved. Finally, we installed the sensor on a tangential-longitudinal axial combine harvester, and grain separation losses monitoring experiments were carried out in North China, which results have shown that the monitoring method was feasible, and the biggest measurement relative error was 4.63% when harvesting rice. PMID:25594592

Modeling repetitive motions using structured light.

PubMed

Xu, Yi; Aliaga, Daniel G

2010-01-01

Obtaining models of dynamic 3D objects is an important part of content generation for computer graphics. Numerous methods have been extended from static scenarios to model dynamic scenes. If the states or poses of the dynamic object repeat often during a sequence (but not necessarily periodically), we call such a repetitive motion. There are many objects, such as toys, machines, and humans, undergoing repetitive motions. Our key observation is that when a motion-state repeats, we can sample the scene under the same motion state again but using a different set of parameters; thus, providing more information of each motion state. This enables robustly acquiring dense 3D information difficult for objects with repetitive motions using only simple hardware. After the motion sequence, we group temporally disjoint observations of the same motion state together and produce a smooth space-time reconstruction of the scene. Effectively, the dynamic scene modeling problem is converted to a series of static scene reconstructions, which are easier to tackle. The varying sampling parameters can be, for example, structured-light patterns, illumination directions, and viewpoints resulting in different modeling techniques. Based on this observation, we present an image-based motion-state framework and demonstrate our paradigm using either a synchronized or an unsynchronized structured-light acquisition method.

Structure optimization of a grain impact piezoelectric sensor and its application for monitoring separation losses on tangential-axial combine harvesters.

PubMed

Liang, Zhenwei; Li, Yaoming; Zhao, Zhan; Xu, Lizhang

2015-01-14

Grain separation losses is a key parameter to weigh the performance of combine harvesters, and also a dominant factor for automatically adjusting their major working parameters. The traditional separation losses monitoring method mainly rely on manual efforts, which require a high labor intensity. With recent advancements in sensor technology, electronics and computational processing power, this paper presents an indirect method for monitoring grain separation losses in tangential-axial combine harvesters in real-time. Firstly, we developed a mathematical monitoring model based on detailed comparative data analysis of different feeding quantities. Then, we developed a grain impact piezoelectric sensor utilizing a YT-5 piezoelectric ceramic as the sensing element, and a signal process circuit designed according to differences in voltage amplitude and rise time of collision signals. To improve the sensor performance, theoretical analysis was performed from a structural vibration point of view, and the optimal sensor structural has been selected. Grain collide experiments have shown that the sensor performance was greatly improved. Finally, we installed the sensor on a tangential-longitudinal axial combine harvester, and grain separation losses monitoring experiments were carried out in North China, which results have shown that the monitoring method was feasible, and the biggest measurement relative error was 4.63% when harvesting rice.

Rule of five in 2015 and beyond: Target and ligand structural limitations, ligand chemistry structure and drug discovery project decisions.

PubMed

Lipinski, Christopher A

2016-06-01

The rule of five (Ro5), based on physicochemical profiles of phase II drugs, is consistent with structural limitations in protein targets and the drug target ligands. Three of four parameters in Ro5 are fundamental to the structure of both target and drug binding sites. The chemical structure of the drug ligand depends on the ligand chemistry and design philosophy. Two extremes of chemical structure and design philosophy exist; ligands constructed in the medicinal chemistry synthesis laboratory without input from natural selection and natural product (NP) metabolites biosynthesized based on evolutionary selection. Exceptions to Ro5 are found mostly among NPs. Chemistry chameleon-like behavior of some NPs due to intra-molecular hydrogen bonding as exemplified by cyclosporine A is a strong contributor to NP Ro5 outliers. The fragment derived, drug Navitoclax is an example of the extensive expertise, resources, time and key decisions required for the rare discovery of a non-NP Ro5 outlier. Copyright © 2016 Elsevier B.V. All rights reserved.

Structure-function clustering in multiplex brain networks

NASA Astrophysics Data System (ADS)

Crofts, J. J.; Forrester, M.; O'Dea, R. D.

2016-10-01

A key question in neuroscience is to understand how a rich functional repertoire of brain activity arises within relatively static networks of structurally connected neural populations: elucidating the subtle interactions between evoked “functional connectivity” and the underlying “structural connectivity” has the potential to address this. These structural-functional networks (and neural networks more generally) are more naturally described using a multilayer or multiplex network approach, in favour of standard single-layer network analyses that are more typically applied to such systems. In this letter, we address such issues by exploring important structure-function relations in the Macaque cortical network by modelling it as a duplex network that comprises an anatomical layer, describing the known (macro-scale) network topology of the Macaque monkey, and a functional layer derived from simulated neural activity. We investigate and characterize correlations between structural and functional layers, as system parameters controlling simulated neural activity are varied, by employing recently described multiplex network measures. Moreover, we propose a novel measure of multiplex structure-function clustering which allows us to investigate the emergence of functional connections that are distinct from the underlying cortical structure, and to highlight the dependence of multiplex structure on the neural dynamical regime.

Nanophase change for data storage applications.

PubMed

Shi, L P; Chong, T C

2007-01-01

Phase change materials are widely used for date storage. The most widespread and important applications are rewritable optical disc and Phase Change Random Access Memory (PCRAM), which utilizes the light and electric induced phase change respectively. For decades, miniaturization has been the major driving force to increase the density. Now the working unit area of the current data storage media is in the order of nano-scale. On the nano-scale, extreme dimensional and nano-structural constraints and the large proportion of interfaces will cause the deviation of the phase change behavior from that of bulk. Hence an in-depth understanding of nanophase change and the related issues has become more and more important. Nanophase change can be defined as: phase change at the scale within nano range of 100 nm, which is size-dependent, interface-dominated and surrounding materials related. Nanophase change can be classified into two groups, thin film related and structure related. Film thickness and clapping materials are key factors for thin film type, while structure shape, size and surrounding materials are critical parameters for structure type. In this paper, the recent development of nanophase change is reviewed, including crystallization of small element at nano size, thickness dependence of crystallization, effect of clapping layer on the phase change of phase change thin film and so on. The applications of nanophase change technology on data storage is introduced, including optical recording such as super lattice like optical disc, initialization free disc, near field, super-RENS, dual layer, multi level, probe storage, and PCRAM including, superlattice-like structure, side edge structure, and line type structure. Future key research issues of nanophase change are also discussed.

A discrete element modelling approach for block impacts on trees

NASA Astrophysics Data System (ADS)

Toe, David; Bourrier, Franck; Olmedo, Ignatio; Berger, Frederic

2015-04-01

These past few year rockfall models explicitly accounting for block shape, especially those using the Discrete Element Method (DEM), have shown a good ability to predict rockfall trajectories. Integrating forest effects into those models still remain challenging. This study aims at using a DEM approach to model impacts of blocks on trees and identify the key parameters controlling the block kinematics after the impact on a tree. A DEM impact model of a block on a tree was developed and validated using laboratory experiments. Then, key parameters were assessed using a global sensitivity analyse. Modelling the impact of a block on a tree using DEM allows taking into account large displacements, material non-linearities and contacts between the block and the tree. Tree stems are represented by flexible cylinders model as plastic beams sustaining normal, shearing, bending, and twisting loading. Root soil interactions are modelled using a rotation stiffness acting on the bending moment at the bottom of the tree and a limit bending moment to account for tree overturning. The crown is taken into account using an additional mass distribute uniformly on the upper part of the tree. The block is represented by a sphere. The contact model between the block and the stem consists of an elastic frictional model. The DEM model was validated using laboratory impact tests carried out on 41 fresh beech (Fagus Sylvatica) stems. Each stem was 1,3 m long with a diameter between 3 to 7 cm. Wood stems were clamped on a rigid structure and impacted by a 149 kg charpy pendulum. Finally an intensive simulation campaign of blocks impacting trees was done to identify the input parameters controlling the block kinematics after the impact on a tree. 20 input parameters were considered in the DEM simulation model : 12 parameters were related to the tree and 8 parameters to the block. The results highlight that the impact velocity, the stem diameter, and the block volume are the three input parameters that control the block kinematics after impact.

Microwave moisture sensing of seedcotton: Part 1: Seedcotton microwave material properties

USDA-ARS?s Scientific Manuscript database

Moisture content at harvest is a key parameter that impacts quality and how well the cotton crop can be stored without degrading before processing. It is also a key parameter of interest for harvest time field trials as it can directly influence the quality of the harvested crop as well as alter the...

Microwave moisture sensing of seedcotton: Part 1: Seedcotton microwave material properties

USDA-ARS?s Scientific Manuscript database

Moisture content at harvest is a key parameter that impacts quality and how well the cotton crop can be stored without degrading before processing. It is also a key parameter of interest for harvest time field trials as it can directly influence the quality of the harvested crop as well as skew the...

The dynamics and control of large flexible space structures. Volume 3, part B: The modelling, dynamics, and stability of large Earth pointing orbiting structures

NASA Technical Reports Server (NTRS)

Bainum, P. M.; Kumar, V. K.

1980-01-01

The dynamics and stability of large orbiting flexible beams, and platforms and dish type structures oriented along the local horizontal are treated both analytically and numerically. It is assumed that such structures could be gravitationally stabilized by attaching a rigid light-weight dumbbell at the center of mass by a spring loaded hinge which also could provide viscous damping. For the beam, the small amplitude inplane pitch motion, dumbbell librational motion, and the anti-symmetric elastic modes are all coupled. The three dimensional equations of motion for a circular flat plate and shallow spherical shell in orbit with a two-degree-of freedom gimballed dumbbell are also developed and show that only those elastic modes described by a single nodal diameter line are influenced by the dumbbell motion. Stability criteria are developed for all the examples and a sensitivity study of the system response characteristics to the key system parameters is carried out.

Carbide-derived carbons - From porous networks to nanotubes and graphene

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

Presser, V.; Heon, M.; Gogotsi, Y.

2011-02-09

Carbide-derived carbons (CDCs) are a large family of carbon materials derived from carbide precursors that are transformed into pure carbon via physical (e.g., thermal decomposition) or chemical (e.g., halogenation) processes. Structurally, CDC ranges from amorphous carbon to graphite, carbon nanotubes or graphene. For halogenated carbides, a high level of control over the resulting amorphous porous carbon structure is possible by changing the synthesis conditions and carbide precursor. The large number of resulting carbon structures and their tunability enables a wide range of applications, from tribological coatings for ceramics, or selective sorbents, to gas and electrical energy storage. In particular, themore » application of CDC in supercapacitors has recently attracted much attention. This review paper summarizes key aspects of CDC synthesis, properties, and applications. It is shown that the CDC structure and properties are sensitive to changes of the synthesis parameters. Understanding of processing–structure–properties relationships facilitates tuning of the carbon material to the requirements of a certain application.« less

Influence of encapsulated functional lipids on crystal structure and chemical stability in solid lipid nanoparticles: Towards bioactive-based design of delivery systems.

PubMed

Salminen, Hanna; Gömmel, Christina; Leuenberger, Bruno H; Weiss, Jochen

2016-01-01

We investigated the influence of physicochemical properties of encapsulated functional lipids--vitamin A, β-carotene and ω-3 fish oil--on the structural arrangement of solid lipid nanoparticles (SLN). The relationship between the crystal structure and chemical stability of the incorporated bioactive lipids was evaluated with different emulsifier compositions of a saponin-rich, food-grade Quillaja extract alone or combined with high-melting or low-melting lecithins. The major factors influencing the structural arrangement and chemical stability of functional lipids in solid lipid dispersions were their solubility in the aqueous phase and their crystallization temperature in relation to that of the carrier lipid. The results showed that the stabilization of the α-subcell crystals in the lattice of the carrier lipid is a key parameter for forming stable solid lipid dispersions. This study contributes to a better understanding of SLN as a function of the bioactive lipid. Copyright © 2015 Elsevier Ltd. All rights reserved.

GaAs, AlAs, and AlxGa1-xAs: Material parameters for use in research and device applications

NASA Astrophysics Data System (ADS)

Adachi, Sadao

1985-08-01

The AlxGa1-xAs/GaAs heterostructure system is potentially useful material for high-speed digital, high-frequency microwave, and electro-optic device applications. Even though the basic AlxGa1-xAs/GaAs heterostructure concepts are understood at this time, some practical device parameters in this system have been hampered by a lack of definite knowledge of many material parameters. Recently, Blakemore has presented numerical and graphical information about many of the physical and electronic properties of GaAs [J. S. Blakemore, J. Appl. Phys. 53, R123 (1982)]. The purpose of this review is (i) to obtain and clarify all the various material parameters of AlxGa1-xAs alloy from a systematic point of view, and (ii) to present key properties of the material parameters for a variety of research works and device applications. A complete set of material parameters are considered in this review for GaAs, AlAs, and AlxGa1-xAs alloys. The model used is based on an interpolation scheme and, therefore, necessitates known values of the parameters for the related binaries (GaAs and AlAs). The material parameters and properties considered in the present review can be classified into sixteen groups: (1) lattice constant and crystal density, (2) melting point, (3) thermal expansion coefficient, (4) lattice dynamic properties, (5) lattice thermal properties, (6) electronic-band structure, (7) external perturbation effects on the band-gap energy, (8) effective mass, (9) deformation potential, (10) static and high-frequency dielectric constants, (11) magnetic susceptibility, (12) piezoelectric constant, (13) Fröhlich coupling parameter, (14) electron transport properties, (15) optical properties, and (16) photoelastic properties. Of particular interest is the deviation of material parameters from linearity with respect to the AlAs mole fraction x. Some material parameters, such as lattice constant, crystal density, thermal expansion coefficient, dielectric constant, and elastic constant, obey Vegard's rule well. Other parameters, e.g., electronic-band energy, lattice vibration (phonon) energy, Debye temperature, and impurity ionization energy, exhibit quadratic dependence upon the AlAs mole fraction. However, some kinds of the material parameters, e.g., lattice thermal conductivity, exhibit very strong nonlinearity with respect to x, which arises from the effects of alloy disorder. It is found that the present model provides generally acceptable parameters in good agreement with the existing experimental data. A detailed discussion is also given of the acceptability of such interpolated parameters from an aspect of solid-state physics. Key properties of the material parameters for use in research work and a variety of AlxGa1-xAs/GaAs device applications are also discussed in detail.

Electronic structure and O vacancy formation/migration in La0.825(Mg/Ca/Ba)0.125CoO3

NASA Astrophysics Data System (ADS)

Omotayo Akande, Salawu; Gan, Li-Yong; Schwingenschlögl, Udo

2016-04-01

The effect of A-site hole doping (Mg2+, Ca2+ or Ba2+) on the electronic and magnetic properties as well as the O vacancy formation and migration in perovskite LaCoO3 is studied using first-principles calculations. All three dopants are found to facilitate O vacancy formation. Substitution of La3+ with Ba2+/Mg2+ yields the lowest O vacancy formation energy for low/intermediate spin Co, implying that not only the structure but also the spin state of Co is a key parameter. Only for low spin Co the ionic radius is correlated with the O migration barrier. Enhanced migration for intermediate spin Co is ascribed to the availability of additional space at the transition state.

QWIP focal plane arrays performances from MWIR up to VLWIR

NASA Astrophysics Data System (ADS)

Robo, J. A.; Costard, E.; Truffer, J. P.; Nedelcu, A.; Marcadet, X.; Bois, P.

2009-05-01

Since 2002, the THALES Group has been manufacturing sensitive arrays using QWIP technology based on GaAs and related III-V compounds, at the Alcatel-Thales-III-V Lab (formerly part of THALES Research and Technology Laboratory). In the past researchers claimed many advantages of QWIPs. Uniformity was one of these and has been the key parameter for the production to start. Another widely claimed advantage for QWIPs was the so-called band-gap engineering and versatility of the III-V processing allowing the custom design of quantum structures at various wavelengths in MWIR, LWIR and VLWIR. An overview of the available performances of QWIPs in the whole infrared spectrum is presented here. We also discuss about the under-development products such as dual band and polarimetric structures.

Elastic Response and Failure Studies of Multi-Wall Carbon Nanotube Twisted Yarns

NASA Technical Reports Server (NTRS)

Gates, Thomas S.; Jefferson, Gail D.; Frankland, Sarah-Jane V.

2007-01-01

Experimental data on the stress-strain behavior of a polymer multiwall carbon nanotube (MWCNT) yarn composite are used to motivate an initial study in multi-scale modeling of strength and stiffness. Atomistic and continuum length scale modeling methods are outlined to illustrate the range of parameters required to accurately model behavior. The carbon nanotubes yarns are four-ply, twisted, and combined with an elastomer to form a single-layer, unidirectional composite. Due to this textile structure, the yarn is a complicated system of unique geometric relationships subjected to combined loads. Experimental data illustrate the local failure modes induced by static, tensile tests. Key structure-property relationships are highlighted at each length scale indicating opportunities for parametric studies to assist the selection of advantageous material development and manufacturing methods.

Use of unnatural amino acids to probe structure-activity relationships and mode-of-action of antimicrobial peptides.

PubMed

Tossi, Alessandro; Scocchi, Marco; Zahariev, Sotir; Gennaro, Renato

2012-01-01

Endogenous antimicrobial peptides (AMPs) can have multimodal mechanisms of bacterial inactivation, such as membrane lysis, interference with cell wall biosynthesis or membrane-based protein machineries, or translocation through the membrane to intracellular targets. The controlled variation of side-chain characteristics in their amino acid residues can provide much useful information on structure-activity relationships and mode-of-action, and also lead to improved activities. The small size and relatively low complexity of AMPs make them amenable to solid-phase peptide synthesis, facilitating the use of nonproteinogenic amino acids and vastly increasing the accessible molecular diversity of side chains. Here, we describe how such residues can be used to modulate such key parameters as cationicity, hydrophobicity, steric factors conformational stability, and H-bonding.

Formation of the Orientale lunar multiring basin.

PubMed

Johnson, Brandon C; Blair, David M; Collins, Gareth S; Melosh, H Jay; Freed, Andrew M; Taylor, G Jeffrey; Head, James W; Wieczorek, Mark A; Andrews-Hanna, Jeffrey C; Nimmo, Francis; Keane, James T; Miljković, Katarina; Soderblom, Jason M; Zuber, Maria T

2016-10-28

Multiring basins, large impact craters characterized by multiple concentric topographic rings, dominate the stratigraphy, tectonics, and crustal structure of the Moon. Using a hydrocode, we simulated the formation of the Orientale multiring basin, producing a subsurface structure consistent with high-resolution gravity data from the Gravity Recovery and Interior Laboratory (GRAIL) spacecraft. The simulated impact produced a transient crater, ~390 kilometers in diameter, that was not maintained because of subsequent gravitational collapse. Our simulations indicate that the flow of warm weak material at depth was crucial to the formation of the basin's outer rings, which are large normal faults that formed at different times during the collapse stage. The key parameters controlling ring location and spacing are impactor diameter and lunar thermal gradients. Copyright © 2016, American Association for the Advancement of Science.

A review of ADM1 extensions, applications, and analysis: 2002-2005.

PubMed

Batstone, D J; Keller, J; Steyer, J P

2006-01-01

Since publication of the Scientific and Technical Report (STR) describing the ADM1, the model has been extensively used, and analysed in both academic and practical applications. Adoption of the ADM1 in popular systems analysis tools such as the new wastewater benchmark (BSM2), and its use as a virtual industrial system can stimulate modelling of anaerobic processes by researchers and practitioners outside the core expertise of anaerobic processes. It has been used as a default structural element that allows researchers to concentrate on new extensions such as sulfate reduction, and new applications such as distributed parameter modelling of biofilms. The key limitations for anaerobic modelling originally identified in the STR were: (i) regulation of products from glucose fermentation, (ii) parameter values, and variability, and (iii) specific extensions. Parameter analysis has been widespread, and some detailed extensions have been developed (e.g., sulfate reduction). A verified extension that describes regulation of products from glucose fermentation is still limited, though there are promising fundamental approaches. This is a critical issue, given the current interest in renewable hydrogen production from carbohydrate-type waste. Critical analysis of the model has mainly focused on model structure reduction, hydrogen inhibition functions, and the default parameter set recommended in the STR. This default parameter set has largely been verified as a reasonable compromise, especially for wastewater sludge digestion. One criticism of note is that the ADM1 stoichiometry focuses on catabolism rather than anabolism. This means that inorganic carbon can be used unrealistically as a carbon source during some anabolic reactions. Advances and novel applications have also been made in the present issue, which focuses on the ADM1. These papers also explore a number of novel areas not originally envisaged in this review.

Finite frequency shear wave splitting tomography: a model space search approach

NASA Astrophysics Data System (ADS)

Mondal, P.; Long, M. D.

2017-12-01

Observations of seismic anisotropy provide key constraints on past and present mantle deformation. A common method for upper mantle anisotropy is to measure shear wave splitting parameters (delay time and fast direction). However, the interpretation is not straightforward, because splitting measurements represent an integration of structure along the ray path. A tomographic approach that allows for localization of anisotropy is desirable; however, tomographic inversion for anisotropic structure is a daunting task, since 21 parameters are needed to describe general anisotropy. Such a large parameter space does not allow a straightforward application of tomographic inversion. Building on previous work on finite frequency shear wave splitting tomography, this study aims to develop a framework for SKS splitting tomography with a new parameterization of anisotropy and a model space search approach. We reparameterize the full elastic tensor, reducing the number of parameters to three (a measure of strength based on symmetry considerations for olivine, plus the dip and azimuth of the fast symmetry axis). We compute Born-approximation finite frequency sensitivity kernels relating model perturbations to splitting intensity observations. The strong dependence of the sensitivity kernels on the starting anisotropic model, and thus the strong non-linearity of the inverse problem, makes a linearized inversion infeasible. Therefore, we implement a Markov Chain Monte Carlo technique in the inversion procedure. We have performed tests with synthetic data sets to evaluate computational costs and infer the resolving power of our algorithm for synthetic models with multiple anisotropic layers. Our technique can resolve anisotropic parameters on length scales of ˜50 km for realistic station and event configurations for dense broadband experiments. We are proceeding towards applications to real data sets, with an initial focus on the High Lava Plains of Oregon.

The key energy scales of Gd-based metallofullerene determined by resonant inelastic x-ray scattering spectroscopy

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

Shao, Yu-Cheng; Wray, L. Andrew; Huang, Shih-Wen

Endohedral metallofullerenes, formed by encaging Gd inside fullerenes like C 80, can exhibit enhanced proton relaxitivities compared with other Gd-chelates, making them the promising contrast agents for magnetic resonance imaging (MRI). However, the underlying key energy scales of Gd x Sc 3-xN@C 80 (x = 1–3) remain unclear. Here, we carry out resonant inelastic x-ray scattering (RIXS) experiments on Gd xSc 3-xN@C 80 at Gd N 4,5-edges to directly study the electronic structure and spin flip excitations of Gd 4f electrons. Compared with reference Gd 2O 3 and contrast agent Gadodiamide, the features in the RIXS spectra of all metallofullerenesmore » exhibit broader spectral lineshape and noticeable energy shift. Using atomic multiplet calculations, we have estimated the key energy scales such as the inter-site spin exchange field, intra-atomic 4f–4f Coulomb interactions, and spin-orbit coupling. The implications of these parameters to the 4f states of encapsulated Gd atoms are discussed.« less

The key energy scales of Gd-based metallofullerene determined by resonant inelastic x-ray scattering spectroscopy

DOE PAGES

Shao, Yu-Cheng; Wray, L. Andrew; Huang, Shih-Wen; ...

2017-08-15

Endohedral metallofullerenes, formed by encaging Gd inside fullerenes like C 80, can exhibit enhanced proton relaxitivities compared with other Gd-chelates, making them the promising contrast agents for magnetic resonance imaging (MRI). However, the underlying key energy scales of Gd x Sc 3-xN@C 80 (x = 1–3) remain unclear. Here, we carry out resonant inelastic x-ray scattering (RIXS) experiments on Gd xSc 3-xN@C 80 at Gd N 4,5-edges to directly study the electronic structure and spin flip excitations of Gd 4f electrons. Compared with reference Gd 2O 3 and contrast agent Gadodiamide, the features in the RIXS spectra of all metallofullerenesmore » exhibit broader spectral lineshape and noticeable energy shift. Using atomic multiplet calculations, we have estimated the key energy scales such as the inter-site spin exchange field, intra-atomic 4f–4f Coulomb interactions, and spin-orbit coupling. The implications of these parameters to the 4f states of encapsulated Gd atoms are discussed.« less

Higher locus coeruleus MRI contrast is associated with lower parasympathetic influence over heart rate variability

PubMed Central

Mather, Mara; Yoo, Hyun Joo; Clewett, David V.; Lee, Tae-Ho; Greening, Steven G.; Ponzio, Allison; Min, Jungwon; Thayer, Julian F.

2017-01-01

The locus coeruleus (LC) is a key node of the sympathetic nervous system and suppresses parasympathetic activity that would otherwise increase heart rate variability. In the current study, we examined whether LC-MRI contrast reflecting neuromelanin accumulation in the LC was associated with high-frequency heart rate variability (HF-HRV), a measure reflecting parasympathetic influences on the heart. Recent evidence indicates that neuromelanin, a byproduct of catecholamine metabolism, accumulates in the LC through young and mid adulthood, suggesting that LC-MRI contrast may be a useful biomarker of individual differences in habitual LC activation. We found that, across younger and older adults, greater LC-MRI contrast was negatively associated with HF-HRV during fear conditioning and spatial detection tasks. This correlation was not accounted for by individual differences in age or anxiety. These findings indicate that individual differences in LC structure relate to key cardiovascular parameters. PMID:28215623

All-Atom Internal Coordinate Mechanics (ICM) Force Field for Hexopyranoses and Glycoproteins.

PubMed

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

2015-05-12

We present an extension of the all-atom internal-coordinate force field, ICMFF, that allows for simulation of heterogeneous systems including hexopyranose saccharides and glycan chains in addition to proteins. A library of standard glycan geometries containing α- and β-anomers of the most common hexapyranoses, i.e., d-galactose, d-glucose, d-mannose, d-xylose, l-fucose, N -acetylglucosamine, N -acetylgalactosamine, sialic, and glucuronic acids, is created based on the analysis of the saccharide structures reported in the Cambridge Structural Database. The new force field parameters include molecular electrostatic potential-derived partial atomic charges and the torsional parameters derived from quantum mechanical data for a collection of minimal molecular fragments and related molecules. The ϕ/ψ torsional parameters for different types of glycosidic linkages are developed using model compounds containing the key atoms in the full carbohydrates, i.e., glycosidic-linked tetrahydropyran-cyclohexane dimers. Target data for parameter optimization include two-dimensional energy surfaces corresponding to the ϕ/ψ glycosidic dihedral angles in the disaccharide analogues, as determined by quantum mechanical MP2/6-31G** single-point energies on HF/6-31G** optimized structures. To achieve better agreement with the observed geometries of glycosidic linkages, the bond angles at the O-linkage atoms are added to the internal variable set and the corresponding bond bending energy term is parametrized using quantum mechanical data. The resulting force field is validated on glycan chains of 1-12 residues from a set of high-resolution X-ray glycoprotein structures based on heavy atom root-mean-square deviations of the lowest-energy glycan conformations generated by the biased probability Monte Carlo (BPMC) molecular mechanics simulations from the native structures. The appropriate BPMC distributions for monosaccharide-monosaccharide and protein-glycan linkages are derived from the extensive analysis of conformational properties of glycoprotein structures reported in the Protein Data Bank. Use of the BPMC search leads to significant improvements in sampling efficiency for glycan simulations. Moreover, good agreement with the X-ray glycoprotein structures is achieved for all glycan chain lengths. Thus, average/median RMSDs are 0.81/0.68 Å for one-residue glycans and 1.32/1.47 Å for three-residue glycans. RMSD from the native structure for the lowest-energy conformation of the 12-residue glycan chain (PDB ID 3og2) is 1.53 Å. Additionally, results obtained for free short oligosaccharides using the new force field are in line with the available experimental data, i.e., the most populated conformations in solution are predicted to be the lowest energy ones. The newly developed parameters allow for the accurate modeling of linear and branched hexopyranose glycosides in heterogeneous systems.

Recurrent noise-induced phase singularities in drifting patterns.

PubMed

Clerc, M G; Coulibaly, S; del Campo, F; Garcia-Nustes, M A; Louvergneaux, E; Wilson, M

2015-11-01

We show that the key ingredients for creating recurrent traveling spatial phase defects in drifting patterns are a noise-sustained structure regime together with the vicinity of a phase transition, that is, a spatial region where the control parameter lies close to the threshold for pattern formation. They both generate specific favorable initial conditions for local spatial gradients, phase, and/or amplitude. Predictions from the stochastic convective Ginzburg-Landau equation with real coefficients agree quite well with experiments carried out on a Kerr medium submitted to shifted optical feedback that evidence noise-induced traveling phase slips and vortex phase-singularities.

Evaluating Management Information Systems, A Protocol for Automated Peer Review Systems

PubMed Central

Black, Gordon C.

1980-01-01

This paper discusses key issues in evaluating an automated Peer Review System. Included are the conceptual base, design, steps in planning structural components, operation parameters, criteria, costs and a detailed outline or protocol for use in the evaluation. At the heart of the Peer Review System is the criteria utilized for measuring quality. Criteria evaluation should embrace, as a minimum, appropriateness, validity and reliability, and completemess or comprehensiveness of content. Such an evaluation is not complete without determining the impact (clinical outcome) of the service system or the patient and the population served.

Waveguide and active region structure optimization for low-divergence InAs/InGaAs quantum dot comb lasers

NASA Astrophysics Data System (ADS)

Korenev, Vladimir V.; Savelyev, Artem V.; Zhukov, Alexey E.; Maximov, Mikhail V.; Omelchenko, Alexander V.

2015-05-01

Ways to improve beam divergence and energy consumption of quantum dot lasers emitting via the ground-state optical transitions by optimization of the key parameters of laser active region are discussed. It is shown that there exist an optimal cavity length, dispersion of inhomogeneous broadening and number of QD layers in active region allowing to obtain lasing spectrum of a given width at minimum injection current. The planar dielectric waveguide of the laser is optimized by analytical means for a better trade-off between high Γ-factor and low beam divergence.

Network structure of production

PubMed Central

Atalay, Enghin; Hortaçsu, Ali; Roberts, James; Syverson, Chad

2011-01-01

Complex social networks have received increasing attention from researchers. Recent work has focused on mechanisms that produce scale-free networks. We theoretically and empirically characterize the buyer–supplier network of the US economy and find that purely scale-free models have trouble matching key attributes of the network. We construct an alternative model that incorporates realistic features of firms’ buyer–supplier relationships and estimate the model’s parameters using microdata on firms’ self-reported customers. This alternative framework is better able to match the attributes of the actual economic network and aids in further understanding several important economic phenomena. PMID:21402924

Investigation of high efficiency GaAs solar cells

NASA Technical Reports Server (NTRS)

Olsen, Larry C.; Dunham, Glen; Addis, F. W.; Huber, Dan; Linden, Kurt

1989-01-01

Investigations of basic mechanisms which limit the performance of high efficiency GaAs solar cells are discussed. P/N heteroface structures have been fabricated from MOCVD epiwafers. Typical AM1 efficiencies are in the 21 to 22 percent range, with a SERI measurement for one cell being 21.5 percent. The cells are nominally 1.5 x 1.5 cm in size. Studies have involved photoresponse, T-I-V analyses, and interpretation of data in terms of appropriate models to determine key cell parameters. Results of these studies are utilized to determine future approaches for increasing GaAs solar cell efficiencies.

Applicability and feasibility of systematic review for performing evidence-based risk assessment in food and feed safety.

PubMed

Aiassa, E; Higgins, J P T; Frampton, G K; Greiner, M; Afonso, A; Amzal, B; Deeks, J; Dorne, J-L; Glanville, J; Lövei, G L; Nienstedt, K; O'connor, A M; Pullin, A S; Rajić, A; Verloo, D

2015-01-01

Food and feed safety risk assessment uses multi-parameter models to evaluate the likelihood of adverse events associated with exposure to hazards in human health, plant health, animal health, animal welfare, and the environment. Systematic review and meta-analysis are established methods for answering questions in health care, and can be implemented to minimize biases in food and feed safety risk assessment. However, no methodological frameworks exist for refining risk assessment multi-parameter models into questions suitable for systematic review, and use of meta-analysis to estimate all parameters required by a risk model may not be always feasible. This paper describes novel approaches for determining question suitability and for prioritizing questions for systematic review in this area. Risk assessment questions that aim to estimate a parameter are likely to be suitable for systematic review. Such questions can be structured by their "key elements" [e.g., for intervention questions, the population(s), intervention(s), comparator(s), and outcome(s)]. Prioritization of questions to be addressed by systematic review relies on the likely impact and related uncertainty of individual parameters in the risk model. This approach to planning and prioritizing systematic review seems to have useful implications for producing evidence-based food and feed safety risk assessment.

Scheduling on the basis of the research of dependences among the construction process parameters

NASA Astrophysics Data System (ADS)

Romanovich, Marina; Ermakov, Alexander; Mukhamedzhanova, Olga

2017-10-01

The dependences among the construction process parameters are investigated in the article: average integrated value of qualification of the shift, number of workers per shift and average daily amount of completed work on the basis of correlation coefficient are considered. Basic data for the research of dependences among the above-stated parameters have been collected during the construction of two standard objects A and B (monolithic houses), in four months of construction (October, November, December, January). Kobb-Douglas production function has proved the values of coefficients of correlation close to 1. Function is simple to be used and is ideal for the description of the considered dependences. The development function, describing communication among the considered parameters of the construction process, is developed. The function of the development gives the chance to select optimum quantitative and qualitative (qualification) structure of the brigade link for the work during the next period of time, according to a preset value of amount of works. Function of the optimized amounts of works, which reflects interrelation of key parameters of construction process, is developed. Values of function of the optimized amounts of works should be used as the average standard for scheduling of the storming periods of construction.

A cooperative strategy for parameter estimation in large scale systems biology models.

PubMed

Villaverde, Alejandro F; Egea, Jose A; Banga, Julio R

2012-06-22

Mathematical models play a key role in systems biology: they summarize the currently available knowledge in a way that allows to make experimentally verifiable predictions. Model calibration consists of finding the parameters that give the best fit to a set of experimental data, which entails minimizing a cost function that measures the goodness of this fit. Most mathematical models in systems biology present three characteristics which make this problem very difficult to solve: they are highly non-linear, they have a large number of parameters to be estimated, and the information content of the available experimental data is frequently scarce. Hence, there is a need for global optimization methods capable of solving this problem efficiently. A new approach for parameter estimation of large scale models, called Cooperative Enhanced Scatter Search (CeSS), is presented. Its key feature is the cooperation between different programs ("threads") that run in parallel in different processors. Each thread implements a state of the art metaheuristic, the enhanced Scatter Search algorithm (eSS). Cooperation, meaning information sharing between threads, modifies the systemic properties of the algorithm and allows to speed up performance. Two parameter estimation problems involving models related with the central carbon metabolism of E. coli which include different regulatory levels (metabolic and transcriptional) are used as case studies. The performance and capabilities of the method are also evaluated using benchmark problems of large-scale global optimization, with excellent results. The cooperative CeSS strategy is a general purpose technique that can be applied to any model calibration problem. Its capability has been demonstrated by calibrating two large-scale models of different characteristics, improving the performance of previously existing methods in both cases. The cooperative metaheuristic presented here can be easily extended to incorporate other global and local search solvers and specific structural information for particular classes of problems.

A cooperative strategy for parameter estimation in large scale systems biology models

PubMed Central

2012-01-01

Background Mathematical models play a key role in systems biology: they summarize the currently available knowledge in a way that allows to make experimentally verifiable predictions. Model calibration consists of finding the parameters that give the best fit to a set of experimental data, which entails minimizing a cost function that measures the goodness of this fit. Most mathematical models in systems biology present three characteristics which make this problem very difficult to solve: they are highly non-linear, they have a large number of parameters to be estimated, and the information content of the available experimental data is frequently scarce. Hence, there is a need for global optimization methods capable of solving this problem efficiently. Results A new approach for parameter estimation of large scale models, called Cooperative Enhanced Scatter Search (CeSS), is presented. Its key feature is the cooperation between different programs (“threads”) that run in parallel in different processors. Each thread implements a state of the art metaheuristic, the enhanced Scatter Search algorithm (eSS). Cooperation, meaning information sharing between threads, modifies the systemic properties of the algorithm and allows to speed up performance. Two parameter estimation problems involving models related with the central carbon metabolism of E. coli which include different regulatory levels (metabolic and transcriptional) are used as case studies. The performance and capabilities of the method are also evaluated using benchmark problems of large-scale global optimization, with excellent results. Conclusions The cooperative CeSS strategy is a general purpose technique that can be applied to any model calibration problem. Its capability has been demonstrated by calibrating two large-scale models of different characteristics, improving the performance of previously existing methods in both cases. The cooperative metaheuristic presented here can be easily extended to incorporate other global and local search solvers and specific structural information for particular classes of problems. PMID:22727112

Structural barriers to South African volunteer home-based caregivers providing quality care: the need for a policy for caregivers not affiliated to primary healthcare clinics.

PubMed

Morton, David; Mayekiso, Thoko; Cunningham, Peter

2018-03-01

Community home-based care (CHBC) is a critical component of non-formal care in communities in Africa that have a high prevalence of HIV and tuberculosis (TB). Community carers consisting primarily of volunteers are critical role players in African healthcare systems and particularly in South Africa's strategy to fight HIV and AIDS. This paper explores the structural barriers volunteer caregivers need to overcome to provide quality CHBC. The researchers used two focus group discussions with key informants (each with four participants), and semi-structured interviews with six key informants to collect data relating to the meaning of quality CHBC. The data were coded using Tesch's data analysis technique. A major theme that emerged from the results was "Addressing structural challenges to improve the quality of CHBC". Subthemes underpinning this theme were: 1) lack of standardised training of volunteer caregivers; 2) the need for a scope of practice, parameters and legal boundaries; 3) lack of monitoring and evaluation (M&E) of CHBC; and 4) the importance of mentoring and supervision in CHBC. CHBC policy should address the need for standardised training programmes for caregivers, so that they are equipped with multiple skills. Furthermore CHBC policy must emphasise mentoring as well as M&E to encourage quality care. Finally, the policy should provide a clear scope of practice for caregivers to regulate their competencies and boundaries.

Epidemics in small world networks

NASA Astrophysics Data System (ADS)

Telo da Gama, M. M.; Nunes, A.

2006-03-01

For many infectious diseases, a small-world network on an underlying regular lattice is a suitable simplified model for the contact structure of the host population. It is well known that the contact network, described in this setting by a single parameter, the small-world parameter p, plays an important role both in the short term and in the long term dynamics of epidemic spread. We have studied the effect of the network structure on models of immune for life diseases and found that in addition to the reduction of the effective transmission rate, through the screening of infectives, spatial correlations may strongly enhance the stochastic fluctuations. As a consequence, time series of unforced Susceptible-Exposed-Infected-Recovered (SEIR) models provide patterns of recurrent epidemics with realistic amplitudes, suggesting that these models together with complex networks of contacts are the key ingredients to describe the prevaccination dynamical patterns of diseases such as measles and pertussis. We have also studied the role of the host contact strucuture in pathogen antigenic variation, through its effect on the final outcome of an invasion by a viral strain of a population where a very similar virus is endemic. Similar viral strains are modelled by the same infection and reinfection parameters, and by a given degree of cross immunity that represents the antigenic distance between the competing strains. We have found, somewhat surprisingly, that clustering on the network decreases the potential to sustain pathogen diversity.

Rehydration of freeze-dried and convective dried boletus edulis mushrooms: effect on some quality parameters.

PubMed

Hernando, I; Sanjuán, N; Pérez-Munuera, I; Mulet, A

2008-10-01

Quality of rehydrated products is a key aspect linked to rehydration conditions. To assess the effect of rehydration temperature on some quality parameters, experiments at 20 and 70 degrees C were performed with convective dried and freeze-dried Boletus edulis mushrooms. Rehydration characteristics (through Peleg's parameter, k(1), and equilibrium moisture, W(e)), texture (Kramer), and microstructure (Cryo-Scanning Electron Microscopy) were evaluated. Freeze-dried samples absorbed water more quickly and attained higher W(e) values than convective dried ones. Convective dehydrated samples rehydrated at 20 degrees C showed significantly lower textural values (11.9 +/- 3.3 N/g) than those rehydrated at 70 degrees C (15.7 +/- 1.2 N/g). For the freeze-dried Boletus edulis, the textural values also exhibited significant differences, being 8.2 +/- 1.3 and 10.5 +/- 2.3 N/g for 20 and 70 degrees C, respectively. Freeze-dried samples showed a porous structure that allows rehydration to take place mainly at the extracellular level. This explains the fact that, regardless of temperature, freeze-dried mushrooms absorbed water more quickly and reached higher W(e) values than convective dried ones. Whatever the dehydration technique used, rehydration at 70 degrees C produced a structural damage that hindered water absorption; consequently lower W(e) values and higher textural values were attained than when rehydrating at 20 degrees C.

Numerical Simulation Of Cratering Effects In Adobe

DTIC Science & Technology

2013-07-01

DEVELOPMENT OF MATERIAL PARAMETERS .........................................................7 PROBLEM SETUP...37 PARAMETER ADJUSTMENTS ......................................................................................38 GLOSSARY...dependent yield surface with the Geological Yield Surface (GEO) modeled in CTH using well characterized adobe. By identifying key parameters that

Design and simulation of 532nm Rayleigh-Mie Doppler wind Lidar system

NASA Astrophysics Data System (ADS)

Peng, Zhuang; Xie, Chenbo; Wang, Bangxin; Shen, Fahua; Tan, Min; Li, Lu; Zhang, Zhanye

2018-02-01

Wind is one of the most significant parameter in weather forecast and the research of climate.It is essential for the weather forecast seasonally to yearly ,atmospheric dynamics,study of thermodynamics and go into the water, chemistry and aerosol which are have to do with global climate statusto measure three-dimensional troposphericwind field accurately.Structure of the doppler wind lidar system which based on Fabry-Perot etalon is introduced detailedly. In this section,the key parameters of the triple Fabry-Perot etalon are optimized and this is the key point.The results of optimizing etalon are as follows:the FSR is 8GHz,the FWHM is1GHz,3.48 GHz is the separation distance between two edge channels,and the separation distance between locking channel and the left edge channel is 1.16 GHz. In this condition,the sensitivity of wind velocity of Mie scattering and Rayleigh scattering is both 0.70%/(m/s) when the temperature is 255K in the height of 5Km and there is no wind. The simulation to this system states that in+/-50m/s radial wind speed range, the wind speed bias induced by Mie signal is less than 0.15m/s from 5 to 50km altitude.

IBA studies of helium mobility in nuclear materials revisited

NASA Astrophysics Data System (ADS)

Trocellier, P.; Agarwal, S.; Miro, S.; Vaubaillon, S.; Leprêtre, F.; Serruys, Y.

2015-12-01

The aim of this paper is to point out and to discuss some features extracted from the study of helium migration in nuclear materials performed during the last fifteen years using ion beam analysis (IBA) measurements. The first part of this paper is devoted to a brief description of the two main IBA methods used, i.e. deuteron induced nuclear reaction for 3He depth profiling and high-energy heavy-ion induced elastic recoil detection analysis for 4He measurement. In the second part, we provide an overview of the different studies carried out on model nuclear waste matrices and model nuclear reactor structure materials in order to illustrate and discuss specific results in terms of key influence parameters in relation with thermal or radiation activated migration of helium. Finally, we show that among the key parameters we have investigated as able to influence the height of the helium migration barrier, the following can be considered as pertinent: the experimental conditions used to introduce helium (implanted ion energy and implantation fluence), the grain size of the matrix, the lattice cell volume, the Young's modulus, the ionicity degree of the chemical bond between the transition metal atom M and the non-metal atom X, and the width of the band gap.

Experimental study designs to improve the evaluation of road mitigation measures for wildlife.

PubMed

Rytwinski, Trina; van der Ree, Rodney; Cunnington, Glenn M; Fahrig, Lenore; Findlay, C Scott; Houlahan, Jeff; Jaeger, Jochen A G; Soanes, Kylie; van der Grift, Edgar A

2015-05-01

An experimental approach to road mitigation that maximizes inferential power is essential to ensure that mitigation is both ecologically-effective and cost-effective. Here, we set out the need for and standards of using an experimental approach to road mitigation, in order to improve knowledge of the influence of mitigation measures on wildlife populations. We point out two key areas that need to be considered when conducting mitigation experiments. First, researchers need to get involved at the earliest stage of the road or mitigation project to ensure the necessary planning and funds are available for conducting a high quality experiment. Second, experimentation will generate new knowledge about the parameters that influence mitigation effectiveness, which ultimately allows better prediction for future road mitigation projects. We identify seven key questions about mitigation structures (i.e., wildlife crossing structures and fencing) that remain largely or entirely unanswered at the population-level: (1) Does a given crossing structure work? What type and size of crossing structures should we use? (2) How many crossing structures should we build? (3) Is it more effective to install a small number of large-sized crossing structures or a large number of small-sized crossing structures? (4) How much barrier fencing is needed for a given length of road? (5) Do we need funnel fencing to lead animals to crossing structures, and how long does such fencing have to be? (6) How should we manage/manipulate the environment in the area around the crossing structures and fencing? (7) Where should we place crossing structures and barrier fencing? We provide experimental approaches to answering each of them using example Before-After-Control-Impact (BACI) study designs for two stages in the road/mitigation project where researchers may become involved: (1) at the beginning of a road/mitigation project, and (2) after the mitigation has been constructed; highlighting real case studies when available. Copyright © 2015 Elsevier Ltd. All rights reserved.

Parameter optimization in biased decoy-state quantum key distribution with both source errors and statistical fluctuations

NASA Astrophysics Data System (ADS)

Zhu, Jian-Rong; Li, Jian; Zhang, Chun-Mei; Wang, Qin

2017-10-01

The decoy-state method has been widely used in commercial quantum key distribution (QKD) systems. In view of the practical decoy-state QKD with both source errors and statistical fluctuations, we propose a universal model of full parameter optimization in biased decoy-state QKD with phase-randomized sources. Besides, we adopt this model to carry out simulations of two widely used sources: weak coherent source (WCS) and heralded single-photon source (HSPS). Results show that full parameter optimization can significantly improve not only the secure transmission distance but also the final key generation rate. And when taking source errors and statistical fluctuations into account, the performance of decoy-state QKD using HSPS suffered less than that of decoy-state QKD using WCS.

Simulation and experimental study of a novel bifacial structure of silicon heterojunction solar cell for high efficiency and low cost

NASA Astrophysics Data System (ADS)

Huang, Haibin; Tian, Gangyu; Zhou, Lang; Yuan, Jiren; Fahrner, Wolfgang R.; Zhang, Wenbin; Li, Xingbing; Chen, Wenhao; Liu, Renzhong

2018-03-01

A novel structure of Ag grid/SiN x /n+-c-Si/n-c-Si/i-a-Si:H/p+-a-Si:H/TCO/Ag grid was designed to increase the efficiency of bifacial amorphous/crystalline silicon-based solar cells and reduce the rear material consumption and production cost. The simulation results show that the new structure obtains higher efficiency compared with the typical bifacial amorphous/crystalline silicon-based solar cell because of an increase in the short-circuit current (J sc), while retaining the advantages of a high open-circuit voltage, low temperature coefficient, and good weak-light performance. Moreover, real cells composed of the novel structure with dimensions of 75 mm ×75 mm were fabricated by a special fabrication recipe based on industrial processes. Without parameter optimization, the cell efficiency reached 21.1% with the J sc of 41.7 mA/cm2. In addition, the novel structure attained 28.55% potential conversion efficiency under an illumination of AM 1.5 G, 100 mW/cm2. We conclude that the configuration of the Ag grid/SiN x /n+-c-Si/n-c-Si/i-a-Si:H/p+-a-Si:H/TCO/Ag grid is a promising structure for high efficiency and low cost. Project supported by the Jiangxi Provincial Key Research and Development Foundation, China (Grant No. 2016BBH80043), the Open Fund of Jiangsu Key Laboratory of Materials and Technology for Energy Conversion, China (Grant No. NJ20160032), and the National Natural Science Foundation of China (Grant Nos. 61741404, 61464007, and 51561022).

Secure and Efficient Signature Scheme Based on NTRU for Mobile Payment

NASA Astrophysics Data System (ADS)

Xia, Yunhao; You, Lirong; Sun, Zhe; Sun, Zhixin

2017-10-01

Mobile payment becomes more and more popular, however the traditional public-key encryption algorithm has higher requirements for hardware which is not suitable for mobile terminals of limited computing resources. In addition, these public-key encryption algorithms do not have the ability of anti-quantum computing. This paper researches public-key encryption algorithm NTRU for quantum computation through analyzing the influence of parameter q and k on the probability of generating reasonable signature value. Two methods are proposed to improve the probability of generating reasonable signature value. Firstly, increase the value of parameter q. Secondly, add the authentication condition that meet the reasonable signature requirements during the signature phase. Experimental results show that the proposed signature scheme can realize the zero leakage of the private key information of the signature value, and increase the probability of generating the reasonable signature value. It also improve rate of the signature, and avoid the invalid signature propagation in the network, but the scheme for parameter selection has certain restrictions.

Engineering trade studies for a quantum key distribution system over a 30  km free-space maritime channel.

PubMed

Gariano, John; Neifeld, Mark; Djordjevic, Ivan

2017-01-20

Here, we present the engineering trade studies of a free-space optical communication system operating over a 30 km maritime channel for the months of January and July. The system under study follows the BB84 protocol with the following assumptions: a weak coherent source is used, Eve is performing the intercept resend attack and photon number splitting attack, prior knowledge of Eve's location is known, and Eve is allowed to know a small percentage of the final key. In this system, we examine the effect of changing several parameters in the following areas: the implementation of the BB84 protocol over the public channel, the technology in the receiver, and our assumptions about Eve. For each parameter, we examine how different values impact the secure key rate for a constant brightness. Additionally, we will optimize the brightness of the source for each parameter to study the improvement in the secure key rate.

Determining Hypocentral Parameters for Local Earthquakes in 1-D Using a Genetic Algorithm and Two-point ray tracing

NASA Astrophysics Data System (ADS)

Kim, W.; Hahm, I.; Ahn, S. J.; Lim, D. H.

2005-12-01

This paper introduces a powerful method for determining hypocentral parameters for local earthquakes in 1-D using a genetic algorithm (GA) and two-point ray tracing. Using existing algorithms to determine hypocentral parameters is difficult, because these parameters can vary based on initial velocity models. We developed a new method to solve this problem by applying a GA to an existing algorithm, HYPO-71 (Lee and Larh, 1975). The original HYPO-71 algorithm was modified by applying two-point ray tracing and a weighting factor with respect to the takeoff angle at the source to reduce errors from the ray path and hypocenter depth. Artificial data, without error, were generated by computer using two-point ray tracing in a true model, in which velocity structure and hypocentral parameters were known. The accuracy of the calculated results was easily determined by comparing calculated and actual values. We examined the accuracy of this method for several cases by changing the true and modeled layer numbers and thicknesses. The computational results show that this method determines nearly exact hypocentral parameters without depending on initial velocity models. Furthermore, accurate and nearly unique hypocentral parameters were obtained, although the number of modeled layers and thicknesses differed from those in the true model. Therefore, this method can be a useful tool for determining hypocentral parameters in regions where reliable local velocity values are unknown. This method also provides the basic a priori information for 3-D studies. KEY -WORDS: hypocentral parameters, genetic algorithm (GA), two-point ray tracing

Landscape structure affects distribution of potential disease vectors (Diptera: Culicidae).

PubMed

Zittra, Carina; Vitecek, Simon; Obwaller, Adelheid G; Rossiter, Heidemarie; Eigner, Barbara; Zechmeister, Thomas; Waringer, Johann; Fuehrer, Hans-Peter

2017-04-26

Vector-pathogen dynamics are controlled by fluctuations of potential vector communities, such as the Culicidae. Assessment of mosquito community diversity and, in particular, identification of environmental parameters shaping these communities is therefore of key importance for the design of adequate surveillance approaches. In this study, we assess effects of climatic parameters and habitat structure on mosquito communities in eastern Austria to deliver these highly relevant baseline data. Female mosquitoes were sampled twice a month from April to October 2014 and 2015 at 35 permanent and 23 non-permanent trapping sites using carbon dioxide-baited traps. Differences in spatial and seasonal abundance patterns of Culicidae taxa were identified using likelihood ratio tests; possible effects of environmental parameters on seasonal and spatial mosquito distribution were analysed using multivariate statistical methods. We assessed community responses to environmental parameters based on 14-day-average values that affect ontogenesis. Altogether 29,734 female mosquitoes were collected, and 21 of 42 native as well as two of four non-native mosquito species were reconfirmed in eastern Austria. Statistical analyses revealed significant differences in mosquito abundance between sampling years and provinces. Incidence and abundance patterns were found to be linked to 14-day mean sunshine duration, humidity, water-level maxima and the amount of precipitation. However, land cover classes were found to be the most important factor, effectively assigning both indigenous and non-native mosquito species to various communities, which responded differentially to environmental variables. These findings thus underline the significance of non-climatic variables for future mosquito prediction models and the necessity to consider these in mosquito surveillance programmes.

Consumption, Retirement and Social Security: Evaluating the Efficiency of Reform that Encourages Longer Careers*

PubMed Central

Laitner, John; Silverman, Dan

2012-01-01

This paper proposes and analyzes a Social Security reform in which individuals no longer face the OASI payroll tax after, say, age 54 or a career of 34 years, and their subsequent earnings have no bearing on their benefits. We first estimate parameters of a life–cycle model. Our specification includes non-separable preferences and possible disability. It predicts a consumption–expenditure change at retirement. We use the magnitude of the expenditure change, together with households’ retirement–age decisions, to identify key structural parameters. The estimated magnitude of the change in consumption–expenditure depends importantly on the treatment of consumption by adult children of the household. Simulations indicate that the reform could increase retirement ages one year or more, equivalent variations could average more than $4,000 per household, and income tax revenues per household could increase by more than $14,000. PMID:23729902

Calculated performance, stability and maneuverability of high-speed tilting-prop-rotor aircraft

NASA Technical Reports Server (NTRS)

Johnson, Wayne; Lau, Benton H.; Bowles, Jeffrey V.

1986-01-01

The feasibility of operating tilting-prop-rotor aircraft at high speeds is examined by calculating the performance, stability, and maneuverability of representative configurations. The rotor performance is examined in high-speed cruise and in hover. The whirl-flutter stability of the coupled-wing and rotor motion is calculated in the cruise mode. Maneuverability is examined in terms of the rotor-thrust limit during turns in helicopter configuration. Rotor airfoils, rotor-hub configuration, wing airfoil, and airframe structural weights representing demonstrated advance technology are discussed. Key rotor and airframe parameters are optimized for high-speed performance and stability. The basic aircraft-design parameters are optimized for minimum gross weight. To provide a focus for the calculations, two high-speed tilt-rotor aircraft are considered: a 46-passenger, civil transport and an air-combat/escort fighter, both with design speeds of about 400 knots. It is concluded that such high-speed tilt-rotor aircraft are quite practical.

A composite likelihood approach for spatially correlated survival data

PubMed Central

Paik, Jane; Ying, Zhiliang

2013-01-01

The aim of this paper is to provide a composite likelihood approach to handle spatially correlated survival data using pairwise joint distributions. With e-commerce data, a recent question of interest in marketing research has been to describe spatially clustered purchasing behavior and to assess whether geographic distance is the appropriate metric to describe purchasing dependence. We present a model for the dependence structure of time-to-event data subject to spatial dependence to characterize purchasing behavior from the motivating example from e-commerce data. We assume the Farlie-Gumbel-Morgenstern (FGM) distribution and then model the dependence parameter as a function of geographic and demographic pairwise distances. For estimation of the dependence parameters, we present pairwise composite likelihood equations. We prove that the resulting estimators exhibit key properties of consistency and asymptotic normality under certain regularity conditions in the increasing-domain framework of spatial asymptotic theory. PMID:24223450

A time-dependent order parameter for ultrafast photoinduced phase transitions.

PubMed

Beaud, P; Caviezel, A; Mariager, S O; Rettig, L; Ingold, G; Dornes, C; Huang, S-W; Johnson, J A; Radovic, M; Huber, T; Kubacka, T; Ferrer, A; Lemke, H T; Chollet, M; Zhu, D; Glownia, J M; Sikorski, M; Robert, A; Wadati, H; Nakamura, M; Kawasaki, M; Tokura, Y; Johnson, S L; Staub, U

2014-10-01

Strongly correlated electron systems often exhibit very strong interactions between structural and electronic degrees of freedom that lead to complex and interesting phase diagrams. For technological applications of these materials it is important to learn how to drive transitions from one phase to another. A key question here is the ultimate speed of such phase transitions, and to understand how a phase transition evolves in the time domain. Here we apply time-resolved X-ray diffraction to directly measure the changes in long-range order during ultrafast melting of the charge and orbitally ordered phase in a perovskite manganite. We find that although the actual change in crystal symmetry associated with this transition occurs over different timescales characteristic of the many electronic and vibrational coordinates of the system, the dynamics of the phase transformation can be well described using a single time-dependent 'order parameter' that depends exclusively on the electronic excitation.

Measurement and modelization of silica opal reflection properties: Optical determination of the silica index

NASA Astrophysics Data System (ADS)

Avoine, Amaury; Hong, Phan Ngoc; Frederich, Hugo; Frigerio, Jean-Marc; Coolen, Laurent; Schwob, Catherine; Nga, Pham Thu; Gallas, Bruno; Maître, Agnès

2012-10-01

Self-assembled artificial opals (in particular silica opals) constitute a model system to study the optical properties of three-dimensional photonic crystals. The silica optical index is a key parameter to correctly describe an opal but is difficult to measure at the submicrometer scale and usually treated as a free parameter. Here, we propose a method to extract the silica index from the opal reflection spectra and we validate it by comparison with two independent methods based on infrared measurements. We show that this index gives a correct description of the opal reflection spectra, either by a band structure or by a Bragg approximation. In particular, we are able to provide explanations in quantitative agreement with the measurements for two features : the observation of a second reflection peak in specular direction, and the quasicollapse of the p-polarized main reflection peak at a typical angle of 54∘.

Ocean acidification ameliorates harmful effects of warming in primary consumer.

PubMed

Pedersen, Sindre Andre; Hanssen, Anja Elise

2018-01-01

Climate change-induced warming and ocean acidification are considered two imminent threats to marine biodiversity and current ecosystem structures. Here, we have for the first time examined an animal's response to a complete life cycle of exposure to co-occurring warming (+3°C) and ocean acidification (+1,600 μatm CO 2 ), using the key subarctic planktonic copepod, Calanus finmarchicus , as a model species. The animals were generally negatively affected by warming, which significantly reduced the females' energy status and reproductive parameters (respectively, 95% and 69%-87% vs. control). Unexpectedly, simultaneous acidification partially offset the negative effect of warming in an antagonistic manner, significantly improving reproductive parameters and hatching success (233%-340% improvement vs. single warming exposure). The results provide proof of concept that ocean acidification may partially offset negative effects caused by warming in some species. Possible explanations and ecological implications for the observed antagonistic effect are discussed.

Uncertainty Quantification in Aeroelasticity

NASA Astrophysics Data System (ADS)

Beran, Philip; Stanford, Bret; Schrock, Christopher

2017-01-01

Physical interactions between a fluid and structure, potentially manifested as self-sustained or divergent oscillations, can be sensitive to many parameters whose values are uncertain. Of interest here are aircraft aeroelastic interactions, which must be accounted for in aircraft certification and design. Deterministic prediction of these aeroelastic behaviors can be difficult owing to physical and computational complexity. New challenges are introduced when physical parameters and elements of the modeling process are uncertain. By viewing aeroelasticity through a nondeterministic prism, where key quantities are assumed stochastic, one may gain insights into how to reduce system uncertainty, increase system robustness, and maintain aeroelastic safety. This article reviews uncertainty quantification in aeroelasticity using traditional analytical techniques not reliant on computational fluid dynamics; compares and contrasts this work with emerging methods based on computational fluid dynamics, which target richer physics; and reviews the state of the art in aeroelastic optimization under uncertainty. Barriers to continued progress, for example, the so-called curse of dimensionality, are discussed.

Design of a Single Motor Based Leg Structure with the Consideration of Inherent Mechanical Stability

NASA Astrophysics Data System (ADS)

Taha Manzoor, Muhammad; Sohail, Umer; Noor-e-Mustafa; Nizami, Muhammad Hamza Asif; Ayaz, Yasar

2017-07-01

The fundamental aspect of designing a legged robot is constructing a leg design that is robust and presents a simple control problem. In this paper, we have successfully designed a robotic leg based on a unique four bar mechanism with only one motor per leg. The leg design parameters used in our platform are extracted from design principles used in biological systems, multiple iterations and previous research findings. These principles guide a robotic leg to have minimal mechanical passive impedance, low leg mass and inertia, a suitable foot trajectory utilizing a practical balance between leg kinematics and robot usage, and the resultant inherent mechanical stability. The designed platform also exhibits the key feature of self-locking. Theoretical tools and software iterations were used to derive these practical features and yield an intuitive sense of the required leg design parameters.

A composite likelihood approach for spatially correlated survival data.

PubMed

Paik, Jane; Ying, Zhiliang

2013-01-01

The aim of this paper is to provide a composite likelihood approach to handle spatially correlated survival data using pairwise joint distributions. With e-commerce data, a recent question of interest in marketing research has been to describe spatially clustered purchasing behavior and to assess whether geographic distance is the appropriate metric to describe purchasing dependence. We present a model for the dependence structure of time-to-event data subject to spatial dependence to characterize purchasing behavior from the motivating example from e-commerce data. We assume the Farlie-Gumbel-Morgenstern (FGM) distribution and then model the dependence parameter as a function of geographic and demographic pairwise distances. For estimation of the dependence parameters, we present pairwise composite likelihood equations. We prove that the resulting estimators exhibit key properties of consistency and asymptotic normality under certain regularity conditions in the increasing-domain framework of spatial asymptotic theory.

Label-free tomographic reconstruction of optically thick structures using GLIM (Conference Presentation)

NASA Astrophysics Data System (ADS)

Kandel, Mikhail E.; Kouzehgarani, Ghazal N.; Ngyuen, Tan H.; Gillette, Martha U.; Popescu, Gabriel

2017-02-01

Although the contrast generated in transmitted light microscopy is due to the elastic scattering of light, multiple scattering scrambles the image and reduces overall visibility. To image both thin and thick samples, we turn to gradient light interference microscopy (GLIM) to simultaneously measure morphological parameters such as cell mass, volume, and surfaces as they change through time. Because GLIM combines multiple intensity images corresponding to controlled phase offsets between laterally sheared beams, incoherent contributions from multiple scattering are implicitly cancelled during the phase reconstruction procedure. As the interfering beams traverse near identical paths, they remain comparable in power and interfere with optimal contrast. This key property lets us obtain tomographic parameters from wide field z-scans after simple numerical processing. Here we show our results on reconstructing tomograms of bovine embryos, characterizing the time-lapse growth of HeLa cells in 3D, and preliminary results on imaging much larger specimen such as brain slices.

Predicting protein thermal stability changes upon point mutations using statistical potentials: Introducing HoTMuSiC.

PubMed

Pucci, Fabrizio; Bourgeas, Raphaël; Rooman, Marianne

2016-03-18

The accurate prediction of the impact of an amino acid substitution on the thermal stability of a protein is a central issue in protein science, and is of key relevance for the rational optimization of various bioprocesses that use enzymes in unusual conditions. Here we present one of the first computational tools to predict the change in melting temperature ΔTm upon point mutations, given the protein structure and, when available, the melting temperature Tm of the wild-type protein. The key ingredients of our model structure are standard and temperature-dependent statistical potentials, which are combined with the help of an artificial neural network. The model structure was chosen on the basis of a detailed thermodynamic analysis of the system. The parameters of the model were identified on a set of more than 1,600 mutations with experimentally measured ΔTm. The performance of our method was tested using a strict 5-fold cross-validation procedure, and was found to be significantly superior to that of competing methods. We obtained a root mean square deviation between predicted and experimental ΔTm values of 4.2 °C that reduces to 2.9 °C when ten percent outliers are removed. A webserver-based tool is freely available for non-commercial use at soft.dezyme.com.

Secure Multicast Tree Structure Generation Method for Directed Diffusion Using A* Algorithms

NASA Astrophysics Data System (ADS)

Kim, Jin Myoung; Lee, Hae Young; Cho, Tae Ho

The application of wireless sensor networks to areas such as combat field surveillance, terrorist tracking, and highway traffic monitoring requires secure communication among the sensor nodes within the networks. Logical key hierarchy (LKH) is a tree based key management model which provides secure group communication. When a sensor node is added or evicted from the communication group, LKH updates the group key in order to ensure the security of the communications. In order to efficiently update the group key in directed diffusion, we propose a method for secure multicast tree structure generation, an extension to LKH that reduces the number of re-keying messages by considering the addition and eviction ratios of the history data. For the generation of the proposed key tree structure the A* algorithm is applied, in which the branching factor at each level can take on different value. The experiment results demonstrate the efficiency of the proposed key tree structure against the existing key tree structures of fixed branching factors.

Field spectrometer (S191H) preprocessor tape quality test program design document

NASA Technical Reports Server (NTRS)

Campbell, H. M.

1976-01-01

Program QA191H performs quality assurance tests on field spectrometer data recorded on 9-track magnetic tape. The quality testing involves the comparison of key housekeeping and data parameters with historic and predetermined tolerance limits. Samples of key parameters are processed during the calibration period and wavelength cal period, and the results are printed out and recorded on an historical file tape.

Shear and shearless Lagrangian structures in compound channels

NASA Astrophysics Data System (ADS)

Enrile, F.; Besio, G.; Stocchino, A.

2018-03-01

Transport processes in a physical model of a natural stream with a composite cross-section (compound channel) are investigated by means of a Lagrangian analysis based on nonlinear dynamical system theory. Two-dimensional free surface Eulerian experimental velocity fields of a uniform flow in a compound channel form the basis for the identification of the so-called Lagrangian Coherent Structures. Lagrangian structures are recognized as the key features that govern particle trajectories. We seek for two particular class of Lagrangian structures: Shear and shearless structures. The former are generated whenever the shear dominates the flow whereas the latter behave as jet-cores. These two type of structures are detected as ridges and trenches of the Finite-Time Lyapunov Exponents fields, respectively. Besides, shearlines computed applying the geodesic theory of transport barriers mark Shear Lagrangian Coherent Structures. So far, the detection of these structures in real experimental flows has not been deeply investigated. Indeed, the present results obtained in a wide range of the controlling parameters clearly show a different behaviour depending on the shallowness of the flow. Shear and Shearless Lagrangian Structures detected from laboratory experiments clearly appear as the flow develops in shallow conditions. The presence of these Lagrangian Structures tends to fade in deep flow conditions.

The "critical limits for crystallinity" in nanoparticles of the elements: A combined thermodynamic and crystallographic critique

NASA Astrophysics Data System (ADS)

Pelegrina, J. L.; Guillermet, A. Fernández

2018-03-01

The theme of the present work is the procedure for evaluating the minimum size for the stability of a crystalline particle with respect to the same group of atoms but in the amorphous state. A key goal of the study is the critical analysis of an extensively quoted paper by F.G. Shi [J. Mater. Res. 9 (1994) 1307-1313], who presented a criterion for evaluating a "crystallinity distance" (h) through its relation with the "critical diameter" (dC) of a particle, i.e., the diameter below which no particles with the crystalline structure are expected to exist at finite temperatures. Key assumptions of Shi's model are a direct proportionality relation between h and dC , and a prescription for estimating h from crystallographic information. In the present work the accuracy of the Shi model is assessed with particular reference to nanoparticles of the elements. To this end, an alternative way to obtain h, that better realizes Shi's idea of this quantity as "the height of a monolayer of atoms on the bulk crystal surface", is explored. Moreover, a thermodynamic calculation of dC , which involves a description of the bulk- and the surface contributions to the crystalline/amorphous relative phase stability for nanoparticles, is performed. It is shown that the Shi equation does not account for the key features of the h vs. dC relation established in the current work. Consequently, it is concluded that the parameter h obtained only from information about the structure of the crystalline phase, does not provide an accurate route to estimate the quantity dC . In fact, a key result of the current study is that dC crucially depends on the relation between bulk- and surface contributions to the crystalline/amorphous relative thermodynamic stability.

Detecting seasonal variations of soil parameters via field measurements and stochastic simulations in the hillslope

NASA Astrophysics Data System (ADS)

Noh, Seong Jin; An, Hyunuk; Kim, Sanghyun

2015-04-01

Soil moisture, a critical factor in hydrologic systems, plays a key role in synthesizing interactions among soil, climate, hydrological response, solute transport and ecosystem dynamics. The spatial and temporal distribution of soil moisture at a hillslope scale is essential for understanding hillslope runoff generation processes. In this study, we implement Monte Carlo simulations in the hillslope scale using a three-dimensional surface-subsurface integrated model (3D model). Numerical simulations are compared with multiple soil moistures which had been measured using TDR(Mini_TRASE) for 22 locations in 2 or 3 depths during a whole year at a hillslope (area: 2100 square meters) located in Bongsunsa Watershed, South Korea. In stochastic simulations via Monte Carlo, uncertainty of the soil parameters and input forcing are considered and model ensembles showing good performance are selected separately for several seasonal periods. The presentation will be focused on the characterization of seasonal variations of model parameters based on simulations with field measurements. In addition, structural limitations of the contemporary modeling method will be discussed.

Modulate chopper technique used in pyroelectric uncooled focal plane array thermal imager

NASA Astrophysics Data System (ADS)

He, Yuqing; Jin, Weiqi; Liu, Guangrong; Gao, Zhiyun; Wang, Xia; Wang, Lingxue

2002-09-01

Pyroelectric uncooled focal plane array (FPA) thermal imager has the advantages of low cost, small size, high responsibility and can work under room temperature, so it has great progress in recent years. As a matched technique, the modulate chopper has become one of the key techniques in uncooled FPA thermal imaging system. Now the Archimedes spiral cord chopper technique is mostly used. When it works, the chopper pushing scans the detector's pixel array, thus makes the pixels being exposed continuously. This paper simulates the shape of this kind of chopper, analyses the exposure time of the detector's every pixel, and also analyses the whole detector pixels' exposure sequence. From the analysis we can get the results: the parameter of Archimedes spiral cord, the detector's thermal time constant, the detector's geometrical dimension, the relative position of the detector to the chopper's spiral cord are the system's important parameters, they will affect the chopper's exposure efficiency and uniformity. We should design the chopper's relevant parameter according to the practical request to achieve the chopper's appropriate structure.

Biophysical stimulation for in vitro engineering of functional cardiac tissues.

PubMed

Korolj, Anastasia; Wang, Erika Yan; Civitarese, Robert A; Radisic, Milica

2017-07-01

Engineering functional cardiac tissues remains an ongoing significant challenge due to the complexity of the native environment. However, our growing understanding of key parameters of the in vivo cardiac microenvironment and our ability to replicate those parameters in vitro are resulting in the development of increasingly sophisticated models of engineered cardiac tissues (ECT). This review examines some of the most relevant parameters that may be applied in culture leading to higher fidelity cardiac tissue models. These include the biochemical composition of culture media and cardiac lineage specification, co-culture conditions, electrical and mechanical stimulation, and the application of hydrogels, various biomaterials, and scaffolds. The review will also summarize some of the recent functional human tissue models that have been developed for in vivo and in vitro applications. Ultimately, the creation of sophisticated ECT that replicate native structure and function will be instrumental in advancing cell-based therapeutics and in providing advanced models for drug discovery and testing. © 2017 The Author(s). published by Portland Press Limited on behalf of the Biochemical Society.

The left ventricle in aortic stenosis--imaging assessment and clinical implications.

PubMed

Călin, Andreea; Roşca, Monica; Beladan, Carmen Cristiana; Enache, Roxana; Mateescu, Anca Doina; Ginghină, Carmen; Popescu, Bogdan Alexandru

2015-04-29

Aortic stenosis has an increasing prevalence in the context of aging population. In these patients non-invasive imaging allows not only the grading of valve stenosis severity, but also the assessment of left ventricular function. These two goals play a key role in clinical decision-making. Although left ventricular ejection fraction is currently the only left ventricular function parameter that guides intervention, current imaging techniques are able to detect early changes in LV structure and function even in asymptomatic patients with significant aortic stenosis and preserved ejection fraction. Moreover, new imaging parameters emerged as predictors of disease progression in patients with aortic stenosis. Although proper standardization and confirmatory data from large prospective studies are needed, these novel parameters have the potential of becoming useful tools in guiding intervention in asymptomatic patients with aortic stenosis and stratify risk in symptomatic patients undergoing aortic valve replacement.This review focuses on the mechanisms of transition from compensatory left ventricular hypertrophy to left ventricular dysfunction and heart failure in aortic stenosis and the role of non-invasive imaging assessment of the left ventricular geometry and function in these patients.

Implementation of a numerical holding furnace model in foundry and construction of a reduced model

NASA Astrophysics Data System (ADS)

Loussouarn, Thomas; Maillet, Denis; Remy, Benjamin; Dan, Diane

2016-09-01

Vacuum holding induction furnaces are used for the manufacturing of turbine blades by loss wax foundry process. The control of solidification parameters is a key factor for the manufacturing of these parts in according to geometrical and structural expectations. The definition of a reduced heat transfer model with experimental identification through an estimation of its parameters is required here. In a further stage this model will be used to characterize heat exchanges using internal sensors through inverse techniques to optimize the furnace command and the optimization of its design. Here, an axisymmetric furnace and its load have been numerically modelled using FlexPDE, a finite elements code. A detailed model allows the calculation of the internal induction heat source as well as transient radiative transfer inside the furnace. A reduced lumped body model has been defined to represent the numerical furnace. The model reduction and the estimation of the parameters of the lumped body have been made using a Levenberg-Marquardt least squares minimization algorithm with Matlab, using two synthetic temperature signals with a further validation test.

Hybrid parameter identification of a multi-modal underwater soft robot.

PubMed

Giorgio-Serchi, F; Arienti, A; Corucci, F; Giorelli, M; Laschi, C

2017-02-28

We introduce an octopus-inspired, underwater, soft-bodied robot capable of performing waterborne pulsed-jet propulsion and benthic legged-locomotion. This vehicle consists for as much as 80% of its volume of rubber-like materials so that structural flexibility is exploited as a key element during both modes of locomotion. The high bodily softness, the unconventional morphology and the non-stationary nature of its propulsion mechanisms require dynamic characterization of this robot to be dealt with by ad hoc techniques. We perform parameter identification by resorting to a hybrid optimization approach where the characterization of the dual ambulatory strategies of the robot is performed in a segregated fashion. A least squares-based method coupled with a genetic algorithm-based method is employed for the swimming and the crawling phases, respectively. The outcomes bring evidence that compartmentalized parameter identification represents a viable protocol for multi-modal vehicles characterization. However, the use of static thrust recordings as the input signal in the dynamic determination of shape-changing self-propelled vehicles is responsible for the critical underestimation of the quadratic drag coefficient.

Exploring the Parameters Controlling the Crystallinity-Conductivity Correlation of PFSA Ionomers

NASA Astrophysics Data System (ADS)

Kusoglu, Ahmet; Shi, Shouwen; Weber, Adam

Perfluorosulfonic-acid (PFSA) ionomers are the most commonly used solid-electrolyte in electrochemical energy devices because of their remarkable conductivity and chemical/mechanical stability, with the latter imparted by their semi-crystalline fluorocarbon backbone. PFSAs owe this unique combination of transport/stability functionalities to their phase-separated morphology of conductive hydrophilic ionic domains and the non-conductive hydrophobic backbone, which are connected via pendant chains. Thus, phase-separation is governed by fractions of backbone and ionic groups, which is controlled by the equivalent weight (EW). Therefore, EW, along with the pendant chain chemistry, directly impact the conductive vs non-conductive regions, and consequently the interrelation between transport and stability. Driven by the need to achieve higher conductivities without disrupting the crystallinity, various pendant-chain chemistries have been developed. In this talk, we will report the results of a systematic investigation on hydration, conductivity, mechanical properties and crystallinity of various types and EWs of PFSA ionomers to (i) develop a structure/property map, and (ii) identify the key parameters controlling morphology and properties. It will be discussed how the pendant-chain and backbone lengths affect the conductivity and crystallinity, respectively. Lastly, the data set will be analyzed to explore universal structure/property relationships for PFSAs.

Correlated motion and the effect of distal mutations in dihydrofolate reductase

PubMed Central

Rod, Thomas H.; Radkiewicz, Jennifer L.; Brooks, Charles L.

2003-01-01

Dihydrofolate reductase (DHFR) catalyzes the reduction of dihydrofolate to tetrahydrofolate. The catalytic rate in this system has been found to be significantly affected by mutations far from the site of chemical activity in the enzyme [Rajagopalan, P. T. R, Lutz, S., and Benkovic, S. J. (2002) Biochemistry 41, 12618–12628]. On the basis of extensive computer simulations for wild-type DHFR from Escherichia coli and four mutants (G121S, G121V, M42F, and M42F/G121S), we show that key parameters for catalysis are changed. The parameters we study are relative populations of different conformations sampled and hydrogen bonds. We find that the mutations result in long-range structural perturbations, rationalizing the effects that the mutations have on the kinetics of the enzyme. Such perturbations also provide a rationalization for the reported nonadditivity effect for double mutations. We finally examine the role a structural perturbation will have on the hydride transfer step. On the basis of our new findings, we discuss the role of coupled motions between distant regions in the enzyme, which previously was reported by Radkiewicz and Brooks. PMID:12756296

Mathematical investigation of IP3-dependent calcium dynamics in astrocytes.

PubMed

Handy, Gregory; Taheri, Marsa; White, John A; Borisyuk, Alla

2017-06-01

We study evoked calcium dynamics in astrocytes, a major cell type in the mammalian brain. Experimental evidence has shown that such dynamics are highly variable between different trials, cells, and cell subcompartments. Here we present a qualitative analysis of a recent mathematical model of astrocyte calcium responses. We show how the major response types are generated in the model as a result of the underlying bifurcation structure. By varying key channel parameters, mimicking blockers used by experimentalists, we manipulate this underlying bifurcation structure and predict how the distributions of responses can change. We find that store-operated calcium channels, plasma membrane bound channels with little activity during calcium transients, have a surprisingly strong effect, underscoring the importance of considering these channels in both experiments and mathematical settings. Variation in the maximum flow in different calcium channels is also shown to determine the range of stable oscillations, as well as set the range of frequencies of the oscillations. Further, by conducting a randomized search through the parameter space and recording the resulting calcium responses, we create a database that can be used by experimentalists to help estimate the underlying channel distribution of their cells.

Sequential weighted Wiener estimation for extraction of key tissue parameters in color imaging: a phantom study

NASA Astrophysics Data System (ADS)

Chen, Shuo; Lin, Xiaoqian; Zhu, Caigang; Liu, Quan

2014-12-01

Key tissue parameters, e.g., total hemoglobin concentration and tissue oxygenation, are important biomarkers in clinical diagnosis for various diseases. Although point measurement techniques based on diffuse reflectance spectroscopy can accurately recover these tissue parameters, they are not suitable for the examination of a large tissue region due to slow data acquisition. The previous imaging studies have shown that hemoglobin concentration and oxygenation can be estimated from color measurements with the assumption of known scattering properties, which is impractical in clinical applications. To overcome this limitation and speed-up image processing, we propose a method of sequential weighted Wiener estimation (WE) to quickly extract key tissue parameters, including total hemoglobin concentration (CtHb), hemoglobin oxygenation (StO2), scatterer density (α), and scattering power (β), from wide-band color measurements. This method takes advantage of the fact that each parameter is sensitive to the color measurements in a different way and attempts to maximize the contribution of those color measurements likely to generate correct results in WE. The method was evaluated on skin phantoms with varying CtHb, StO2, and scattering properties. The results demonstrate excellent agreement between the estimated tissue parameters and the corresponding reference values. Compared with traditional WE, the sequential weighted WE shows significant improvement in the estimation accuracy. This method could be used to monitor tissue parameters in an imaging setup in real time.

Turboelectric Aircraft Drive Key Performance Parameters and Functional Requirements

NASA Technical Reports Server (NTRS)

Jansen, Ralph H.; Brown, Gerald V.; Felder, James L.; Duffy, Kirsten P.

2016-01-01

The purpose of this paper is to propose specific power and efficiency as the key performance parameters for a turboelectric aircraft power system and investigate their impact on the overall aircraft. Key functional requirements are identified that impact the power system design. Breguet range equations for a base aircraft and a turboelectric aircraft are found. The benefits and costs that may result from the turboelectric system are enumerated. A break-even analysis is conducted to find the minimum allowable electric drive specific power and efficiency that can preserve the range, initial weight, operating empty weight, and payload weight of the base aircraft.

Turboelectric Aircraft Drive Key Performance Parameters and Functional Requirements

NASA Technical Reports Server (NTRS)

Jansen, Ralph; Brown, Gerald V.; Felder, James L.; Duffy, Kirsten P.

2015-01-01

The purpose of this presentation is to propose specific power and efficiency as the key performance parameters for a turboelectric aircraft power system and investigate their impact on the overall aircraft. Key functional requirements are identified that impact the power system design. Breguet range equations for a base aircraft and a turboelectric aircraft are found. The benefits and costs that may result from the turboelectric system are enumerated. A break-even analysis is conducted to find the minimum allowable electric drive specific power and efficiency that can preserve the range, initial weight, operating empty weight, and payload weight of the base aircraft.

Turboelectric Aircraft Drive Key Performance Parameters and Functional Requirements

NASA Technical Reports Server (NTRS)

Jansen, Ralph H.; Brown, Gerald V.; Felder, James L.; Duffy, Kirsten P.

2015-01-01

The purpose of this paper is to propose specific power and efficiency as the key performance parameters for a turboelectric aircraft power system and investigate their impact on the overall aircraft. Key functional requirements are identified that impact the power system design. Breguet range equations for a base aircraft and a turboelectric aircraft are found. The benefits and costs that may result from the turboelectric system are enumerated. A break-even analysis is conducted to find the minimum allowable electric drive specific power and efficiency that can preserve the range, initial weight, operating empty weight, and payload weight of the base aircraft.

Multi-objective optimization design and experimental investigation of centrifugal fan performance

NASA Astrophysics Data System (ADS)

Zhang, Lei; Wang, Songling; Hu, Chenxing; Zhang, Qian

2013-11-01

Current studies of fan performance optimization mainly focus on two aspects: one is to improve the blade profile, and another is only to consider the influence of single impeller structural parameter on fan performance. However, there are few studies on the comprehensive effect of the key parameters such as blade number, exit stagger angle of blade and the impeller outlet width on the fan performance. The G4-73 backward centrifugal fan widely used in power plants is selected as the research object. Based on orthogonal design and BP neural network, a model for predicting the centrifugal fan performance parameters is established, and the maximum relative errors of the total pressure and efficiency are 0.974% and 0.333%, respectively. Multi-objective optimization of total pressure and efficiency of the fan is conducted with genetic algorithm, and the optimum combination of impeller structural parameters is proposed. The optimized parameters of blade number, exit stagger angle of blade and the impeller outlet width are seperately 14, 43.9°, and 21 cm. The experiments on centrifugal fan performance and noise are conducted before and after the installation of the new impeller. The experimental results show that with the new impeller, the total pressure of fan increases significantly in total range of the flow rate, and the fan efficiency is improved when the relative flow is above 75%, also the high efficiency area is broadened. Additionally, in 65% -100% relative flow, the fan noise is reduced. Under the design operating condition, total pressure and efficiency of the fan are improved by 6.91% and 0.5%, respectively. This research sheds light on the considering of comprehensive effect of impeller structrual parameters on fan performance, and a new impeller can be designed to satisfy the engineering demand such as energy-saving, noise reduction or solving air pressure insufficiency for power plants.

A Multi-Parameter Approach for Calculating Crack Instability

NASA Technical Reports Server (NTRS)

Zanganeh, M.; Forman, R. G.

2014-01-01

An accurate fracture control analysis of spacecraft pressure systems, boosters, rocket hardware and other critical low-cycle fatigue cases where the fracture toughness highly impacts cycles to failure requires accurate knowledge of the material fracture toughness. However, applicability of the measured fracture toughness values using standard specimens and transferability of the values to crack instability analysis of the realistically complex structures is refutable. The commonly used single parameter Linear Elastic Fracture Mechanics (LEFM) approach which relies on the key assumption that the fracture toughness is a material property would result in inaccurate crack instability predictions. In the past years extensive studies have been conducted to improve the single parameter (K-controlled) LEFM by introducing parameters accounting for the geometry or in-plane constraint effects]. Despite the importance of the thickness (out-of-plane constraint) effects in fracture control problems, the literature is mainly limited to some empirical equations for scaling the fracture toughness data] and only few theoretically based developments can be found. In aerospace hardware where the structure might have only one life cycle and weight reduction is crucial, reducing the design margin of safety by decreasing the uncertainty involved in fracture toughness evaluations would result in lighter hardware. In such conditions LEFM would not suffice and an elastic-plastic analysis would be vital. Multi-parameter elastic plastic crack tip field quantifying developments combined with statistical methods] have been shown to have the potential to be used as a powerful tool for tackling such problems. However, these approaches have not been comprehensively scrutinized using experimental tests. Therefore, in this paper a multi-parameter elastic-plastic approach has been used to study the crack instability problem and the transferability issue by considering the effects of geometrical constraints as well as the thickness. The feasibility of the approach has been examined using a wide range of specimen geometries and thicknesses manufactured from 7075-T7351 aluminum alloy.

Effects of the accumulated annealing parameter on the corrosion characteristics of a Zr-0.5Nb-1.0Sn-0.5Fe-0.25Cr alloy

NASA Astrophysics Data System (ADS)

Baek, Jong Hyuk; Jeong, Yong Hwan; Kim, In Sup

2000-07-01

Corrosion behavior, hydrogen pickup, oxide microstructure, and precipitate characterization have been studied in order to investigate the effect of the accumulated annealing parameter on the corrosion characteristics in a Zr-Nb-Sn-Fe-Cr alloy. An autoclave corrosion test was carried out in 400°C steam for 300 days on the Zr-0.5Nb-1.0Sn-0.5Fe-0.25Cr alloy, which had been given 18 different accumulated annealing parameters. The corrosion rate increased with increasing the accumulated annealing parameter. To investigate the crystal structure of oxide layer, the corroded specimens were prepared to have an equal oxide thickness (˜1.6 μm) by controlling exposure time. The relative fraction of tetragonal ZrO 2 also decreased gradually with increasing accumulated annealing parameter. From the hydrogen analysis of the corroded samples for 300 days, it was observed that, with increasing the size of precipitates, the hydrogen pickup was enhanced. It was revealed from transmission electron microscope (TEM) observation of the oxide that the larger precipitates still remained to be oxidized in the oxide layer and had undergone a reduction of Fe/Cr ratio from 2.1 to 1.5. The oxidation of the precipitates in the oxide gave rise to a volume expansion at the precipitate-oxide interface. This volume change could lead to the transformation in the oxide phase from tetragonal ZrO 2 to monoclinic ZrO 2 and in oxide structure from columnar grain to equiaxed grain. The precipitate in a Zr-0.5Nb-1.0Sn-0.5Fe-0.25Cr alloy is composed of Nb, Fe, and Cr and the Nb content in the precipitate increase with increasing accumulated annealing parameter. Thus, it can be thought that Nb within precipitates plays a key role in the microstructural change of oxide.

Management of physical health in patients with schizophrenia: practical recommendations.

PubMed

Heald, A; Montejo, A L; Millar, H; De Hert, M; McCrae, J; Correll, C U

2010-06-01

Improved physical health care is a pressing need for patients with schizophrenia. It can be achieved by means of a multidisciplinary team led by the psychiatrist. Key priorities should include: selection of antipsychotic therapy with a low risk of weight gain and metabolic adverse effects; routine assessment, recording and longitudinal tracking of key physical health parameters, ideally by electronic spreadsheets; and intervention to control CVD risk following the same principles as for the general population. A few simple tools to assess and record key physical parameters, combined with lifestyle intervention and pharmacological treatment as indicated, could significantly improve physical outcomes. Effective implementation of strategies to optimise physical health parameters in patients with severe enduring mental illness requires engagement and communication between psychiatrists and primary care in most health settings. Copyright (c) 2010 Elsevier Masson SAS. All rights reserved.

Channel-parameter estimation for satellite-to-submarine continuous-variable quantum key distribution

NASA Astrophysics Data System (ADS)

Guo, Ying; Xie, Cailang; Huang, Peng; Li, Jiawei; Zhang, Ling; Huang, Duan; Zeng, Guihua

2018-05-01

This paper deals with a channel-parameter estimation for continuous-variable quantum key distribution (CV-QKD) over a satellite-to-submarine link. In particular, we focus on the channel transmittances and the excess noise which are affected by atmospheric turbulence, surface roughness, zenith angle of the satellite, wind speed, submarine depth, etc. The estimation method is based on proposed algorithms and is applied to low-Earth orbits using the Monte Carlo approach. For light at 550 nm with a repetition frequency of 1 MHz, the effects of the estimated parameters on the performance of the CV-QKD system are assessed by a simulation by comparing the secret key bit rate in the daytime and at night. Our results show the feasibility of satellite-to-submarine CV-QKD, providing an unconditionally secure approach to achieve global networks for underwater communications.

A modeling framework for integrated harvest and habitat management of North American waterfowl: Case-study of northern pintail metapopulation dynamics

USGS Publications Warehouse

Mattsson, Brady J.; Runge, M.C.; Devries, J.H.; Boomer, G.S.; Eadie, J.M.; Haukos, D.A.; Fleskes, J.P.; Koons, D.N.; Thogmartin, W.E.; Clark, R.G.

2012-01-01

We developed and evaluated the performance of a metapopulation model enabling managers to examine, for the first time, the consequences of alternative management strategies involving habitat conditions and hunting on both harvest opportunity and carrying capacity (i.e., equilibrium population size in the absence of harvest) for migratory waterfowl at a continental scale. Our focus is on the northern pintail (Anas acuta; hereafter, pintail), which serves as a useful model species to examine the potential for integrating waterfowl harvest and habitat management in North America. We developed submodel structure capturing important processes for pintail populations during breeding, fall migration, winter, and spring migration while encompassing spatial structure representing three core breeding areas and two core nonbreeding areas. A number of continental-scale predictions from our baseline parameterization (e.g., carrying capacity of 5.5 million, equilibrium population size of 2.9 million and harvest rate of 12% at maximum sustained yield [MSY]) were within 10% of those from the pintail harvest strategy under current use by the U.S. Fish and Wildlife Service. To begin investigating the interaction of harvest and habitat management, we examined equilibrium population conditions for pintail at the continental scale across a range of harvest rates while perturbing model parameters to represent: (1) a 10% increase in breeding habitat quality in the Prairie Pothole population (PR); and (2) a 10% increase in nonbreeding habitat quantity along in the Gulf Coast (GC). Based on our model and analysis, a greater increase in carrying capacity and sustainable harvest was seen when increasing a proxy for habitat quality in the Prairie Pothole population. This finding and underlying assumptions must be critically evaluated, however, before specific management recommendations can be made. To make such recommendations, we require (1) extended, refined submodels with additional parameters linking influences of habitat management and environmental conditions to key life-history parameters; (2) a formal sensitivity analysis of the revised model; (3) an integrated population model that incorporates empirical data for estimating key vital rates; and (4) cost estimates for changing these additional parameters through habitat management efforts. We foresee great utility in using an integrated modeling approach to predict habitat and harvest management influences on continental-scale population responses while explicitly considering putative effects of climate change. Such a model could be readily adapted for management of many habitat-limited species.

Ionogels Based on Poly(methyl methacrylate) and Metal-Containing Ionic Liquids: Correlation between Structure and Mechanical and Electrical Properties.

PubMed

Zehbe, Kerstin; Kollosche, Matthias; Lardong, Sebastian; Kelling, Alexandra; Schilde, Uwe; Taubert, Andreas

2016-03-16

Ionogels (IGs) based on poly(methyl methacrylate) (PMMA) and the metal-containing ionic liquids (ILs) bis-1-butyl-3-methlimidazolium tetrachloridocuprate(II), tetrachloride cobaltate(II), and tetrachlorido manganate(II) have been synthesized and their mechanical and electrical properties have been correlated with their microstructure. Unlike many previous examples, the current IGs show a decreasing stability in stress-strain experiments on increasing IL fractions. The conductivities of the current IGs are lower than those observed in similar examples in the literature. Both effects are caused by a two-phase structure with micrometer-sized IL-rich domains homogeneously dispersed an IL-deficient continuous PMMA phase. This study demonstrates that the IL-polymer miscibility and the morphology of the IGs are key parameters to control the (macroscopic) properties of IGs.

In Situ Observations of PSCs Generated by Gravity Waves

NASA Technical Reports Server (NTRS)

Pfister, Leonhard; Bui, Paul; Mahoney, M. J.; Gandrud, Bruce; Hipskind, K. Stephen (Technical Monitor)

2000-01-01

During SOLVE, the bulk of the in-situ observations of PSCs are of large scale extended structures associated with synoptic scale cooling. The nature of these structures is also determined by layers of high relative NOy that have been stretched into thin layers by advective processes. Some of the in situ observations, however, are clearly correlated with gravity wave signatures. The first goal of this work is to examine these cases and evaluate gravity wave parameters. In particular, we are interested in the intrinsic periods of the waves and their temperature amplitude, which are key ingredients in the nucleation process. Secondly, we will examine some rudimentary properties of the particle size distributions and composition, comparing these with in situ observations of the more extended PSC features. Finally, we will attempt to ascertain the mechanism which generates the gravity waves.

In-Fiber Optic Salinity Sensing: A Potential Application for Offshore Concrete Structure Protection.

PubMed

Luo, Dong; Li, Peng; Yue, Yanchao; Ma, Jianxun; Yang, Hangzhou

2017-05-04

The protection of concrete structures against corrosion in marine environments has always been a challenge due to the presence of a saline solution-A natural corrosive agent to the concrete paste and steel reinforcements. The concentration of salt is a key parameter influencing the rate of corrosion. In this paper, we propose an optical fiber-based salinity sensor based on bundled multimode plastic optical fiber (POF) as a sensor probe and a concave mirror as a reflector in conjunction with an intensity modulation technique. A refractive index (RI) sensing approach is analytically investigated and the findings are in agreement with the experimental results. A maximum sensitivity of 14,847.486/RIU can be achieved at RI = 1.3525. The proposed technique is suitable for in situ measurement and monitoring of salinity in liquid.

The Primordial Entropy of Jupiter

NASA Astrophysics Data System (ADS)

Cumming, Andrew; Helled, Ravit; Venturini, Julia

2018-04-01

The formation history of giant planets determines their primordial structure and consequent evolution. We simulate various formation paths of Jupiter to determine its primordial entropy, and find that a common outcome is for proto-Jupiter to have non-convective regions in its interior. We use planet formation models to calculate how the entropy and post-formation luminosity depend on model properties such as the solid accretion rate and opacity, and show that the gas accretion rate and its time evolution play a key role in determining the entropy profile. The predicted luminosity of Jupiter shortly after formation varies by a factor of 2-3 for different choices of model parameters. We find that entropy gradients inside Jupiter persist for ˜10 Myr after formation. We suggest that these gradients should be considered together with heavy-element composition gradients when modeling Jupiter's evolution and internal structure.

The primordial entropy of Jupiter

NASA Astrophysics Data System (ADS)

Cumming, Andrew; Helled, Ravit; Venturini, Julia

2018-07-01

The formation history of giant planets determines their primordial structure and consequent evolution. We simulate various formation paths of Jupiter to determine its primordial entropy, and find that a common outcome is for proto-Jupiter to have non-convective regions in its interior. We use planet formation models to calculate how the entropy and post-formation luminosity depend on model properties such as the solid accretion rate and opacity, and show that the gas accretion rate and its time evolution play a key role in determining the entropy profile. The predicted luminosity of Jupiter shortly after formation varies by a factor of 2-3 for different choices of model parameters. We find that entropy gradients inside Jupiter persist for ˜10 Myr after formation. We suggest that these gradients should be considered together with heavy-element composition gradients when modelling Jupiter's evolution and internal structure.

Ionogels Based on Poly(methyl methacrylate) and Metal-Containing Ionic Liquids: Correlation between Structure and Mechanical and Electrical Properties

PubMed Central

Zehbe, Kerstin; Kollosche, Matthias; Lardong, Sebastian; Kelling, Alexandra; Schilde, Uwe; Taubert, Andreas

2016-01-01

Ionogels (IGs) based on poly(methyl methacrylate) (PMMA) and the metal-containing ionic liquids (ILs) bis-1-butyl-3-methlimidazolium tetrachloridocuprate(II), tetrachloride cobaltate(II), and tetrachlorido manganate(II) have been synthesized and their mechanical and electrical properties have been correlated with their microstructure. Unlike many previous examples, the current IGs show a decreasing stability in stress-strain experiments on increasing IL fractions. The conductivities of the current IGs are lower than those observed in similar examples in the literature. Both effects are caused by a two-phase structure with micrometer-sized IL-rich domains homogeneously dispersed an IL-deficient continuous PMMA phase. This study demonstrates that the IL-polymer miscibility and the morphology of the IGs are key parameters to control the (macroscopic) properties of IGs. PMID:26999112

More Than Filaments and Cores: Statistical Study of Structure Formation and Dynamics in Nearby Molecular Clouds

NASA Astrophysics Data System (ADS)

Chen, How-Huan; Goodman, Alyssa

2018-01-01

In the past decade, multiple attempts at understanding the connection between filaments and star forming cores have been made using observations across the entire epectrum. However, the filaments and the cores are usually treated as predefined--and well-defined--entities, instead of structures that often come at different sizes, shapes, with substantially different dynamics, and inter-connected at different scales. In my dissertation, I present an array of studies using different statistical methods, including the dendrogram and the probability distribution function (PDF), of structures at different size scales within nearby molecular clouds. These structures are identified using observations of different density tracers, and where possible, in the multi-dimensional parameter space of key dynamic properties--the LSR velocity, the velocity dispersion, and the column density. The goal is to give an overview of structure formation in nearby star-forming clouds, as well as of the dynamics in these structures. I find that the overall statistical properties of a larger structure is often the summation/superposition of sub-structures within, and that there could be significant variations due to local physical processes. I also find that the star formation process within molecular clouds could in fact take place in a non-monolithic manner, connecting potentially merging and/or transient structures, at different scales.

Fast Simulation of the Impact Parameter Calculation of Electrons through Pair Production

NASA Astrophysics Data System (ADS)

Bang, Hyesun; Kweon, MinJung; Huh, Kyoung Bum; Pachmayer, Yvonne

2018-05-01

A fast simulation method is introduced that reduces tremendously the time required for the impact parameter calculation, a key observable in physics analyses of high energy physics experiments and detector optimisation studies. The impact parameter of electrons produced through pair production was calculated considering key related processes using the Bethe-Heitler formula, the Tsai formula and a simple geometric model. The calculations were performed at various conditions and the results were compared with those from full GEANT4 simulations. The computation time using this fast simulation method is 104 times shorter than that of the full GEANT4 simulation.

Parameter as a Switch Between Dynamical States of a Network in Population Decoding.

PubMed

Yu, Jiali; Mao, Hua; Yi, Zhang

2017-04-01

Population coding is a method to represent stimuli using the collective activities of a number of neurons. Nevertheless, it is difficult to extract information from these population codes with the noise inherent in neuronal responses. Moreover, it is a challenge to identify the right parameter of the decoding model, which plays a key role for convergence. To address the problem, a population decoding model is proposed for parameter selection. Our method successfully identified the key conditions for a nonzero continuous attractor. Both the theoretical analysis and the application studies demonstrate the correctness and effectiveness of this strategy.

Turbulent Flow and Sand Dune Dynamics: Identifying Controls on Aeolian Sediment Transport

NASA Astrophysics Data System (ADS)

Weaver, C. M.; Wiggs, G.

2007-12-01

Sediment transport models are founded on cubic power relationships between the transport rate and time averaged flow parameters. These models have achieved limited success and recent aeolian and fluvial research has focused on the modelling and measurement of sediment transport by temporally varying flow conditions. Studies have recognised turbulence as a driving force in sediment transport and have highlighted the importance of coherent flow structures in sediment transport systems. However, the exact mechanisms are still unclear. Furthermore, research in the fluvial environment has identified the significance of turbulent structures for bedform morphology and spacing. However, equivalent research in the aeolian domain is absent. This paper reports the findings of research carried out to characterise the importance of turbulent flow parameters in aeolian sediment transport and determine how turbulent energy and turbulent structures change in response to dune morphology. The relative importance of mean and turbulent wind parameters on aeolian sediment flux was examined in the Skeleton Coast, Namibia. Measurements of wind velocity (using sonic anemometers) and sand transport (using grain impact sensors) at a sampling frequency of 10 Hz were made across a flat surface and along transects on a 9 m high barchan dune. Mean wind parameters and mass sand flux were measured using cup anemometers and wedge-shaped sand traps respectively. Vertical profile data from the sonic anemometers were used to compute turbulence and turbulent stress (Reynolds stress; instantaneous horizontal and vertical fluctuations; coherent flow structures) and their relationship with respect to sand transport and evolving dune morphology. On the flat surface time-averaged parameters generally fail to characterise sand transport dynamics, particularly as the averaging interval is reduced. However, horizontal wind speed correlates well with sand transport even with short averaging times. Quadrant analysis revealed that turbulent events with a positive horizontal component, such as sweeps and outward interactions, were responsible for the majority of sand transport. On the dune surface results demonstrate the development and modification of turbulence and sediment flux in key regions: toe, crest and brink. Analysis suggests that these modifications are directly controlled by streamline curvature and flow acceleration. Conflicting models of dune development, morphology and stability arise when based upon either the dynamics of measured turbulent flow or mean flow.

AIDA - from Airborne Data Inversion to In-Depth Analysis

NASA Astrophysics Data System (ADS)

Meyer, U.; Goetze, H.; Schroeder, M.; Boerner, R.; Tezkan, B.; Winsemann, J.; Siemon, B.; Alvers, M.; Stoll, J. B.

2011-12-01

The rising competition in land use especially between water economy, agriculture, forestry, building material economy and other industries often leads to irreversible deterioration in the water and soil system (as salinization and degradation) which results in a long term damage of natural resources. A sustainable exploitation of the near subsurface by industry, economy and private households is a fundamental demand of a modern society. To fulfill this demand, a sound and comprehensive knowledge on structures and processes of the near subsurface is an important prerequisite. A spatial survey of the usable underground by aerogeophysical means and a subsequent ground geophysics survey targeted at special locations will deliver essential contributions within short time that make it possible to gain the needed additional knowledge. The complementary use of airborne and ground geophysics as well as the validation, assimilation and improvement of current findings by geological and hydrogeological investigations and plausibility tests leads to the following key questions: a) Which new and/or improved automatic algorithms (joint inversion, data assimilation and such) are useful to describe the structural setting of the usable subsurface by user specific characteristics as i.e. water volume, layer thicknesses, porosities etc.? b) What are the physical relations of the measured parameters (as electrical conductivities, magnetic susceptibilities, densities, etc.)? c) How can we deduce characteristics or parameters from the observations which describe near subsurface structures as ground water systems, their charge, discharge and recharge, vulnerabilities and other quantities? d) How plausible and realistic are the numerically obtained results in relation to user specific questions and parameters? e) Is it possible to compile material flux balances that describe spatial and time dependent impacts of environmental changes on aquifers and soils by repeated airborne surveys? In order to follow up these questions raised the project aims to achieve the following goals: a) Development of new and expansion of existent inversion strategies to improve structural parameter information on different space and time scales. b) Development, modification, and tests for a multi-parameter inversion (joint inversion). c) Development of new quantitative approaches in data assimilation and plausibility studies. d) Compilation of optimized work flows for fast employment by end users. e) Primary goal is to solve comparable society related problems (as salinization, erosion, contamination, degradation etc.) in regions within Germany and abroad by generalization of project results.

Pin-Hole Free Perovskite Film for Solar Cells Application Prepared by Controlled Two-Step Spin-Coating Method

NASA Astrophysics Data System (ADS)

Bahtiar, A.; Rahmanita, S.; Inayatie, Y. D.

2017-05-01

Morphology of perovskite film is a key important for achieving high performance perovskite solar cells. Perovskite films are commonly prepared by two-step spin-coating method. However, pin-holes are frequently formed in perovskite films due to incomplete conversion of lead-iodide (PbI2) into perovskite CH3NH3PbI3. Pin-holes in perovskite film cause large hysteresis in current-voltage curve of solar cells due to large series resistance between perovskite layer-hole transport material. Moreover, crystal structure and grain size of perovskite crystal are also other important parameters for achieving high performance solar cells, which are significantly affected by preparation of perovskite film. We studied the effect of preparation of perovskite film using controlled spin-coating parameters on crystal structure and morphological properties of perovskite film. We used two-step spin-coating method for preparation of perovskite film with varied spinning speed, spinning time and temperature of spin-coating process to control growth of perovskite crystal aimed to produce high quality perovskite crystal with pin-hole free and large grain size. All experiment was performed in air with high humidity (larger than 80%). The best crystal structure, pin-hole free with large grain crystal size of perovskite film was obtained from film prepared at room temperature with spinning speed 1000 rpm for 20 seconds and annealed at 100°C for 300 seconds.

Application of stroboscopic and pulsed-laser electronic speckle pattern interferometry (ESPI) to modal analysis problems

NASA Astrophysics Data System (ADS)

Van der Auweraer, H.; Steinbichler, H.; Vanlanduit, S.; Haberstok, C.; Freymann, R.; Storer, D.; Linet, V.

2002-04-01

Accurate structural models are key to the optimization of the vibro-acoustic behaviour of panel-like structures. However, at the frequencies of relevance to the acoustic problem, the structural modes are very complex, requiring high-spatial-resolution measurements. The present paper discusses a vibration testing system based on pulsed-laser holographic electronic speckle pattern interferometry (ESPI) measurements. It is a characteristic of the method that time-triggered (and not time-averaged) vibration images are obtained. Its integration into a practicable modal testing and analysis procedure is reviewed. The accumulation of results at multiple excitation frequencies allows one to build up frequency response functions. A novel parameter extraction approach using spline-based data reduction and maximum-likelihood parameter estimation was developed. Specific extensions have been added in view of the industrial application of the approach. These include the integration of geometry and response information, the integration of multiple views into one single model, the integration with finite-element model data and the prior identification of the critical panels and critical modes. A global procedure was hence established. The approach has been applied to several industrial case studies, including car panels, the firewall of a monovolume car, a full vehicle, panels of a light truck and a household product. The research was conducted in the context of the EUREKA project HOLOMODAL and the Brite-Euram project SALOME.

Frequency of resonance of human sweat duct in different modes of operation

NASA Astrophysics Data System (ADS)

Tripathi, Saroj R.; Takahashi, Shogo; Kinumura, Kento; Kawase, Kodo

2018-02-01

Recently, some studies have demonstrated that the sweat ducts present in the skin play a significant role in terahertz (THz) wave interaction with human beings. It was reported that the sweat ducts act as a low-Q-factor helical antenna due to their helical structure, and resonate in the sub-terahertz frequency range according to their structural parameters, such as helix diameter and helix length. According to the antenna theory, a helical antenna resonates in two different modes of operation known as normal mode and axial mode and the dimension of the helix plays a key role to determine the frequency of resonance. Therefore, here we performed the optical coherence tomography (OCT) of number of human subjects on their palm and foot to investigate the density, distribution and morphological features of sweat ducts. Moreover, we calculated the dielectric properties of human skin using terahertz time domain spectroscopy. Based on the structural parameters of human sweat ducts and its THz dielectric properties of surrounding medium, we computed the frequency of resonance of sweat duct in different modes of operation and we found that these ducts resonate in subterahertz frequency region. We believe that these findings will facilitate further investigation of the THz-skin interaction and provide guidelines for safety levels with respect to human exposure to electromagnetic waves at these frequencies.

Characterization of pi-Conjugated Polymers for Transistor and Photovoltaic Applications

NASA Astrophysics Data System (ADS)

Paulsen, Bryan D.

pi-Conjugated polymers represent a unique class of optoelectronic materials. Being polymers, they are solution processable and inherently "soft" materials. This makes them attractive candidates for the production of roll-to-roll printed electronic devices on flexible substrates. The optical and electronic properties of pi-conjugated polymers are synthetically tunable allowing material sets to be tailored to specific applications. Two of the most heavily researched applications are the thin film transistor, the building block of electronic circuits, and the bulk heterojunction solar cell, which holds great potential as a renewable energy source. Key to developing commercially feasible pi-conjugated polymer devices is a thorough understanding of the electronic structure and charge transport behavior of these materials in relationship with polymer structure. Here this structure property relationship has been investigated through electrical and electrochemical means in concert with a variety of other characterization techniques and device test beds. The tunability of polymer optical band gap and frontier molecular orbital energy level was investigated in systems of vinyl incorporating statistical copolymers. Energy levels and band gaps are crucial parameters in developing efficient photovoltaic devices, with control of these parameters being highly desirable. Additionally, charge transport and density of electronic states were investigated in pi-conjugated polymers at extremely high electrochemically induced charge density. Finally, the effects of molecular weight on pi-conjugated polymer optical properties, energy levels, charge transport, morphology, and photovoltaic device performance was examined.

Key Processes of Silicon-On-Glass MEMS Fabrication Technology for Gyroscope Application.

PubMed

Ma, Zhibo; Wang, Yinan; Shen, Qiang; Zhang, Han; Guo, Xuetao

2018-04-17

MEMS fabrication that is based on the silicon-on-glass (SOG) process requires many steps, including patterning, anodic bonding, deep reactive ion etching (DRIE), and chemical mechanical polishing (CMP). The effects of the process parameters of CMP and DRIE are investigated in this study. The process parameters of CMP, such as abrasive size, load pressure, and pH value of SF1 solution are examined to optimize the total thickness variation in the structure and the surface quality. The ratio of etching and passivation cycle time and the process pressure are also adjusted to achieve satisfactory performance during DRIE. The process is optimized to avoid neither the notching nor lag effects on the fabricated silicon structures. For demonstrating the capability of the modified CMP and DRIE processes, a z-axis micro gyroscope is fabricated that is based on the SOG process. Initial test results show that the average surface roughness of silicon is below 1.13 nm and the thickness of the silicon is measured to be 50 μm. All of the structures are well defined without the footing effect by the use of the modified DRIE process. The initial performance test results of the resonant frequency for the drive and sense modes are 4.048 and 4.076 kHz, respectively. The demands for this kind of SOG MEMS device can be fulfilled using the optimized process.

Probabilistic seismic hazard assessment for the effect of vertical ground motions on seismic response of highway bridges

NASA Astrophysics Data System (ADS)

Yilmaz, Zeynep

Typically, the vertical component of the ground motion is not considered explicitly in seismic design of bridges, but in some cases the vertical component can have a significant effect on the structural response. The key question of when the vertical component should be incorporated in design is answered by the probabilistic seismic hazard assessment study incorporating the probabilistic seismic demand models and ground motion models. Nonlinear simulation models with varying configurations of an existing bridge in California were considered in the analytical study. The simulation models were subjected to the set of selected ground motions in two stages: at first, only horizontal components of the motion were applied; while in the second stage the structures were subjected to both horizontal and vertical components applied simultaneously and the ground motions that produced the largest adverse effects on the bridge system were identified. Moment demand in the mid-span and at the support of the longitudinal girder and the axial force demand in the column are found to be significantly affected by the vertical excitations. These response parameters can be modeled using simple ground motion parameters such as horizontal spectral acceleration and vertical spectral acceleration within 5% to 30% error margin depending on the type of the parameter and the period of the structure. For a complete hazard assessment, both of these ground motion parameters explaining the structural behavior should also be modeled. For the horizontal spectral acceleration, Abrahamson and Silva (2008) model was used within many available standard model. A new NGA vertical ground motion model consistent with the horizontal model was constructed. These models are combined in a vector probabilistic seismic hazard analyses. Series of hazard curves developed and presented for different locations in Bay Area for soil site conditions to provide a roadmap for the prediction of these features for future earthquakes. Findings from this study will contribute to the development of revised guidelines to address vertical ground motion effects, particularly in the near fault regions, in the seismic design of highway bridges.

Controlling Ethylene for Extended Preservation of Fresh Fruits and Vegetables

DTIC Science & Technology

2008-12-01

into a process simulation to determine the effects of key design parameters on the overall performance of the system. Integrating process simulation...High Decay [Asian Pears High High Decay [ Avocados High High Decay lBananas Moderate ~igh Decay Cantaloupe High Moderate Decay Cherimoya Very High High...ozonolysis. Process simulation was subsequently used to understand the effect of key system parameters on EEU performance. Using this modeling work

Resilience of Key Biological Parameters of the Senegalese Flat Sardinella to Overfishing and Climate Change.

PubMed

Ba, Kamarel; Thiaw, Modou; Lazar, Najih; Sarr, Alassane; Brochier, Timothée; Ndiaye, Ismaïla; Faye, Alioune; Sadio, Oumar; Panfili, Jacques; Thiaw, Omar Thiom; Brehmer, Patrice

2016-01-01

The stock of the Senegalese flat sardinella, Sardinella maderensis, is highly exploited in Senegal, West Africa. Its growth and reproduction parameters are key biological indicators for improving fisheries management. This study reviewed these parameters using landing data from small-scale fisheries in Senegal and literature information dated back more than 25 years. Age was estimated using length-frequency data to calculate growth parameters and assess the growth performance index. With global climate change there has been an increase in the average sea surface temperature along the Senegalese coast but the length-weight parameters, sex ratio, size at first sexual maturity, period of reproduction and condition factor of S. maderensis have not changed significantly. The above parameters of S. maderensis have hardly changed, despite high exploitation and fluctuations in environmental conditions that affect the early development phases of small pelagic fish in West Africa. This lack of plasticity of the species regarding of the biological parameters studied should be considered when planning relevant fishery management plans.

The Research and Implementation of Vehicle Bluetooth Hands-free Devices Key Parameters Downloading Algorithm

NASA Astrophysics Data System (ADS)

Zhang, Xiao-bo; Wang, Zhi-xue; Li, Jian-xin; Ma, Jian-hui; Li, Yang; Li, Yan-qiang

In order to facilitate Bluetooth function realization and information can be effectively tracked in the process of production, the vehicle Bluetooth hands-free devices need to download such key parameters as Bluetooth address, CVC license and base plate numbers, etc. Therefore, it is the aim to search simple and effective methods to download parameters for each vehicle Bluetooth hands-free device, and to control and record the use of parameters. In this paper, by means of Bluetooth Serial Peripheral Interface programmer device, the parallel port is switched to SPI. The first step is to download parameters is simulating SPI with the parallel port. To perform SPI function, operating the parallel port in accordance with the SPI timing. The next step is to achieve SPI data transceiver functions according to the programming parameters of options. Utilizing the new method, downloading parameters is fast and accurate. It fully meets vehicle Bluetooth hands-free devices production requirements. In the production line, it has played a large role.

Plant growth and respiration re-visited: maintenance respiration defined – it is an emergent property of, not a separate process within, the system – and why the respiration : photosynthesis ratio is conservative

PubMed Central

Thornley, John H. M.

2011-01-01

Background and Aims Plant growth and respiration still has unresolved issues, examined here using a model. The aims of this work are to compare the model's predictions with McCree's observation-based respiration equation which led to the ‘growth respiration/maintenance respiration paradigm’ (GMRP) – this is required to give the model credibility; to clarify the nature of maintenance respiration (MR) using a model which does not represent MR explicitly; and to examine algebraic and numerical predictions for the respiration:photosynthesis ratio. Methods A two-state variable growth model is constructed, with structure and substrate, applicable on plant to ecosystem scales. Four processes are represented: photosynthesis, growth with growth respiration (GR), senescence giving a flux towards litter, and a recycling of some of this flux. There are four significant parameters: growth efficiency, rate constants for substrate utilization and structure senescence, and fraction of structure returned to the substrate pool. Key Results The model can simulate McCree's data on respiration, providing an alternative interpretation to the GMRP. The model's parameters are related to parameters used in this paradigm. MR is defined and calculated in terms of the model's parameters in two ways: first during exponential growth at zero growth rate; and secondly at equilibrium. The approaches concur. The equilibrium respiration:photosynthesis ratio has the value of 0·4, depending only on growth efficiency and recycling fraction. Conclusions McCree's equation is an approximation that the model can describe; it is mistaken to interpret his second coefficient as a maintenance requirement. An MR rate is defined and extracted algebraically from the model. MR as a specific process is not required and may be replaced with an approach from which an MR rate emerges. The model suggests that the respiration:photosynthesis ratio is conservative because it depends on two parameters only whose values are likely to be similar across ecosystems. PMID:21948663

The Derivation of Sink Functions of Wheat Organs using the GREENLAB Model

PubMed Central

Kang, Mengzhen; Evers, Jochem B.; Vos, Jan; de Reffye, Philippe

2008-01-01

Background and Aims In traditional crop growth models assimilate production and partitioning are described with empirical equations. In the GREENLAB functional–structural model, however, allocation of carbon to different kinds of organs depends on the number and relative sink strengths of growing organs present in the crop architecture. The aim of this study is to generate sink functions of wheat (Triticum aestivum) organs by calibrating the GREENLAB model using a dedicated data set, consisting of time series on the mass of individual organs (the ‘target data’). Methods An experiment was conducted on spring wheat (Triticum aestivum, ‘Minaret’), in a growth chamber from, 2004 to, 2005. Four harvests were made of six plants each to determine the size and mass of individual organs, including the root system, leaf blades, sheaths, internodes and ears of the main stem and different tillers. Leaf status (appearance, expansion, maturity and death) of these 24 plants was recorded. With the structures and mass of organs of four individual sample plants, the GREENLAB model was calibrated using a non-linear least-square-root fitting method, the aim of which was to minimize the difference in mass of the organs between measured data and model output, and to provide the parameter values of the model (the sink strengths of organs of each type, age and tiller order, and two empirical parameters linked to biomass production). Key Results and Conclusions The masses of all measured organs from one plant from each harvest were fitted simultaneously. With estimated parameters for sink and source functions, the model predicted the mass and size of individual organs at each position of the wheat structure in a mechanistic way. In addition, there was close agreement between experimentally observed and simulated values of leaf area index. PMID:18045794

Evolution of stochastic demography with life history tradeoffs in density-dependent age-structured populations.

PubMed

Lande, Russell; Engen, Steinar; Sæther, Bernt-Erik

2017-10-31

We analyze the stochastic demography and evolution of a density-dependent age- (or stage-) structured population in a fluctuating environment. A positive linear combination of age classes (e.g., weighted by body mass) is assumed to act as the single variable of population size, [Formula: see text], exerting density dependence on age-specific vital rates through an increasing function of population size. The environment fluctuates in a stationary distribution with no autocorrelation. We show by analysis and simulation of age structure, under assumptions often met by vertebrate populations, that the stochastic dynamics of population size can be accurately approximated by a univariate model governed by three key demographic parameters: the intrinsic rate of increase and carrying capacity in the average environment, [Formula: see text] and [Formula: see text], and the environmental variance in population growth rate, [Formula: see text] Allowing these parameters to be genetically variable and to evolve, but assuming that a fourth parameter, [Formula: see text], measuring the nonlinearity of density dependence, remains constant, the expected evolution maximizes [Formula: see text] This shows that the magnitude of environmental stochasticity governs the classical trade-off between selection for higher [Formula: see text] versus higher [Formula: see text] However, selection also acts to decrease [Formula: see text], so the simple life-history trade-off between [Formula: see text]- and [Formula: see text]-selection may be obscured by additional trade-offs between them and [Formula: see text] Under the classical logistic model of population growth with linear density dependence ([Formula: see text]), life-history evolution in a fluctuating environment tends to maximize the average population size. Published under the PNAS license.

Parameters of Technological Growth

ERIC Educational Resources Information Center

Starr, Chauncey; Rudman, Richard

1973-01-01

Examines the factors involved in technological growth and identifies the key parameters as societal resources and societal expectations. Concludes that quality of life can only be maintained by reducing population growth, since this parameter is the product of material levels, overcrowding, food, and pollution. (JR)

Textile Technologies and Tissue Engineering: A Path Towards Organ Weaving

PubMed Central

Akbari, Mohsen; Tamayol, Ali; Bagherifard, Sara; Serex, Ludovic; Mostafalu, Pooria; Faramarzi, Negar; Mohammadi, Mohammad Hossein

2016-01-01

Textile technologies have recently attracted great attention as potential biofabrication tools for engineering tissue constructs. Using current textile technologies, fibrous structures can be designed and engineered to attain the required properties that are demanded by different tissue engineering applications. Several key parameters such as physiochemical characteristics of fibers, pore size and mechanical properties of the fabrics play important role in the effective use of textile technologies in tissue engineering. This review summarizes the current advances in the manufacturing of biofunctional fibers. Different textile methods such as knitting, weaving, and braiding are discussed and their current applications in tissue engineering are highlighted. PMID:26924450

Sterile neutrinos as the origin of dark and baryonic matter.

PubMed

Canetti, Laurent; Drewes, Marco; Shaposhnikov, Mikhail

2013-02-08

We demonstrate for the first time that three sterile neutrinos alone can simultaneously explain neutrino oscillations, the observed dark matter, and the baryon asymmetry of the Universe without new physics above the Fermi scale. The key new point of our analysis is leptogenesis after sphaleron freeze-out, which leads to resonant dark matter production, evading thus the constraints on sterile neutrino dark matter from structure formation and x-ray searches. We identify the range of sterile neutrino properties that is consistent with all known constraints. We find a domain of parameters where the new particles can be found with present day experimental techniques, using upgrades to existing experimental facilities.

Conditional maximum-entropy method for selecting prior distributions in Bayesian statistics

NASA Astrophysics Data System (ADS)

Abe, Sumiyoshi

2014-11-01

The conditional maximum-entropy method (abbreviated here as C-MaxEnt) is formulated for selecting prior probability distributions in Bayesian statistics for parameter estimation. This method is inspired by a statistical-mechanical approach to systems governed by dynamics with largely separated time scales and is based on three key concepts: conjugate pairs of variables, dimensionless integration measures with coarse-graining factors and partial maximization of the joint entropy. The method enables one to calculate a prior purely from a likelihood in a simple way. It is shown, in particular, how it not only yields Jeffreys's rules but also reveals new structures hidden behind them.

Modeling spatially localized photonic nanojets from phase diffraction gratings

NASA Astrophysics Data System (ADS)

Geints, Yu. E.; Zemlyanov, A. A.

2016-04-01

We investigated numerically the specific spatially localized intense optical structure, a photonic nanojet (PNJ), formed in the near-field scattering of optical radiation at phase diffraction gratings. The finite-difference time-domain technique was employed to study the PNJ key parameters (length, width, focal distance, and intensity) produced by diffraction gratings with the saw-tooth, rectangle, and hemispheric line profiles. Our analysis showed that each type of diffraction gratings produces a photonic jet with unique characteristics. Based on the numerical calculations, we demonstrate that the PNJ could be manipulated in a wide range through the variation of period, duty cycle, and shape of diffraction grating rulings.

The use of fibrous ion exchangers in gold hydrometallurgy

NASA Astrophysics Data System (ADS)

Kautzmann, R. M.; Sampaio, C. H.; Cortina, J. L.; Soldatov, V.; Shunkevich, A.

2002-10-01

This article examines a family of ion-exchange fibers, FIBAN, containing primary and secondary amine groups. These ion exchangers have a fiber diameter of 20 40 Μm, high osmotic and mechanic stability, a high rate of adsorption and regeneration, and excellent dynamic characteristics as filtering media. Inparticular, this article discusses the use of FIBAN fibrous ion exchangers in the recovery of gold cyanide andbase-metal cyanides (copper and mercury) from mineral-leaching solutions. The influence of polymer structure and water content on their extraction ability is described, along with key parameters of gold hydrometallurgy such as extraction efficiency, selectivity, pH dependence, gold cyanide loading, kinetics, and stripping.

Electrical birefringence tuning of VCSELs

NASA Astrophysics Data System (ADS)

Pusch, Tobias; Lindemann, Markus; Gerhardt, Nils C.; Hofmann, Martin R.; Michalzik, Rainer

2018-02-01

The birefringence splitting B, which is the frequency difference between the two fundamental linear polarization modes in vertical-cavity surface-emitting lasers (VCSELs), is the key parameter determining the polarization dynamics of spin-VCSELs that can be much faster than the intensity dynamics. For easy handling and control, electrical tuning of B is favored. This was realized in an integrated chip by thermally induced strain via asymmetric heating with a birefringence tuning range of 45 GHz. In this paper we present our work on VCSEL structures mounted on piezoelectric transducers for strain generation. Furthermore we show a combination of both techniques, namely VCSELs with piezo-thermal birefringence tunability.

Semiconductive 3-D haloplumbate framework hybrids with high color rendering index white-light emission.

PubMed

Wang, Guan-E; Xu, Gang; Wang, Ming-Sheng; Cai, Li-Zhen; Li, Wen-Hua; Guo, Guo-Cong

2015-12-01

Single-component white light materials may create great opportunities for novel conventional lighting applications and display systems; however, their reported color rendering index (CRI) values, one of the key parameters for lighting, are less than 90, which does not satisfy the demand of color-critical upmarket applications, such as photography, cinematography, and art galleries. In this work, two semiconductive chloroplumbate (chloride anion of lead(ii)) hybrids, obtained using a new inorganic-organic hybrid strategy, show unprecedented 3-D inorganic framework structures and white-light-emitting properties with high CRI values around 90, one of which shows the highest value to date.

Optimization of Designs for Nanotube-based Scanning Probes

NASA Technical Reports Server (NTRS)

Harik, V. M.; Gates, T. S.; Bushnell, Dennis M. (Technical Monitor)

2002-01-01

Optimization of designs for nanotube-based scanning probes, which may be used for high-resolution characterization of nanostructured materials, is examined. Continuum models to analyze the nanotube deformations are proposed to help guide selection of the optimum probe. The limitations on the use of these models that must be accounted for before applying to any design problem are presented. These limitations stem from the underlying assumptions and the expected range of nanotube loading, end conditions, and geometry. Once the limitations are accounted for, the key model parameters along with the appropriate classification of nanotube structures may serve as a basis for the design optimization of nanotube-based probe tips.

The design of superhydrophobic stainless steel surfaces by controlling nanostructures: A key parameter to reduce the implantation of pathogenic bacteria.

PubMed

Bruzaud, Jérôme; Tarrade, Jeanne; Celia, Elena; Darmanin, Thierry; Taffin de Givenchy, Elisabeth; Guittard, Frédéric; Herry, Jean-Marie; Guilbaud, Morgan; Bellon-Fontaine, Marie-Noëlle

2017-04-01

Reducing bacterial adhesion on substrates is fundamental for various industries. In this work, new superhydrophobic surfaces are created by electrodeposition of hydrophobic polymers (PEDOT-F 4 or PEDOT-H 8 ) on stainless steel with controlled topographical features, especially at a nano-scale. Results show that anti-bioadhesive and anti-biofilm properties require the control of the surface topographical features, and should be associated with a low adhesion of water onto the surface (Cassie-Baxter state) with limited crevice features at the scale of bacterial cells (nano-scale structures). Copyright © 2016. Published by Elsevier B.V.

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

Deng, Mingsen; Guizhou Provincial Key Laboratory of Computational Nano-Material Science, Institute of Applied Physics, Guizhou Normal College, Guiyang, 550018; Ye, Gui

The probe of flexible molecular conformation is crucial for the electric application of molecular systems. We have developed a theoretical procedure to analyze the couplings of molecular local vibrations with the electron transportation process, which enables us to evaluate the structural fingerprints of some vibrational modes in the inelastic electron tunneling spectroscopy (IETS). Based on a model molecule of Bis-(4-mercaptophenyl)-ether with a flexible center angle, we have revealed and validated a simple mathematical relationship between IETS signals and molecular angles. Our results might open a route to quantitatively measure key geometrical parameters of molecular junctions, which helps to achieve precisemore » control of molecular devices.« less

Sampling the structure and chemical order in assemblies of ferromagnetic nanoparticles by nuclear magnetic resonance

PubMed Central

Liu, Yuefeng; Luo, Jingjie; Shin, Yooleemi; Moldovan, Simona; Ersen, Ovidiu; Hébraud, Anne; Schlatter, Guy; Pham-Huu, Cuong; Meny, Christian

2016-01-01

Assemblies of nanoparticles are studied in many research fields from physics to medicine. However, as it is often difficult to produce mono-dispersed particles, investigating the key parameters enhancing their efficiency is blurred by wide size distributions. Indeed, near-field methods analyse a part of the sample that might not be representative of the full size distribution and macroscopic methods give average information including all particle sizes. Here, we introduce temperature differential ferromagnetic nuclear resonance spectra that allow sampling the crystallographic structure, the chemical composition and the chemical order of non-interacting ferromagnetic nanoparticles for specific size ranges within their size distribution. The method is applied to cobalt nanoparticles for catalysis and allows extracting the size effect from the crystallographic structure effect on their catalytic activity. It also allows sampling of the chemical composition and chemical order within the size distribution of alloyed nanoparticles and can thus be useful in many research fields. PMID:27156575

Steering the Properties of MoOx Hole Transporting Layers in OPVs and OLEDs: Interface Morphology vs. Electronic Structure

PubMed Central

Marchal, Wouter; Verboven, Inge; Kesters, Jurgen; Moeremans, Boaz; De Dobbelaere, Christopher; Bonneux, Gilles; Elen, Ken; Conings, Bert; Maes, Wouter; Boyen, Hans Gerd; Deferme, Wim; Van Bael, Marlies; Hardy, An

2017-01-01

The identification, fine-tuning, and process optimization of appropriate hole transporting layers (HTLs) for organic solar cells is indispensable for the production of efficient and sustainable functional devices. In this study, the optimization of a solution-processed molybdenum oxide (MoOx) layer fabricated from a combustion precursor is carried out via the introduction of zirconium and tin additives. The evaluation of the output characteristics of both organic photovoltaic (OPV) and organic light emitting diode (OLED) devices demonstrates the beneficial influence upon the addition of the Zr and Sn ions compared to the generic MoOx precursor. A dopant effect in which the heteroatoms and the molybdenum oxide form a chemical identity with fundamentally different structural properties could not be observed, as the additives do not affect the molybdenum oxide composition or electronic band structure. An improved surface roughness due to a reduced crystallinity was found to be a key parameter leading to the superior performance of the devices employing modified HTLs. PMID:28772483

Bacterial communities in full-scale wastewater treatment systems.

PubMed

Cydzik-Kwiatkowska, Agnieszka; Zielińska, Magdalena

2016-04-01

Bacterial metabolism determines the effectiveness of biological treatment of wastewater. Therefore, it is important to define the relations between the species structure and the performance of full-scale installations. Although there is much laboratory data on microbial consortia, our understanding of dependencies between the microbial structure and operational parameters of full-scale wastewater treatment plants (WWTP) is limited. This mini-review presents the types of microbial consortia in WWTP. Information is given on extracellular polymeric substances production as factor that is key for formation of spatial structures of microorganisms. Additionally, we discuss data on microbial groups including nitrifiers, denitrifiers, Anammox bacteria, and phosphate- and glycogen-accumulating bacteria in full-scale aerobic systems that was obtained with the use of molecular techniques, including high-throughput sequencing, to shed light on dependencies between the microbial ecology of biomass and the overall efficiency and functional stability of wastewater treatment systems. Sludge bulking in WWTPs is addressed, as well as the microbial composition of consortia involved in antibiotic and micropollutant removal.

Statistical Power of Alternative Structural Models for Comparative Effectiveness Research: Advantages of Modeling Unreliability.

PubMed

Coman, Emil N; Iordache, Eugen; Dierker, Lisa; Fifield, Judith; Schensul, Jean J; Suggs, Suzanne; Barbour, Russell

2014-05-01

The advantages of modeling the unreliability of outcomes when evaluating the comparative effectiveness of health interventions is illustrated. Adding an action-research intervention component to a regular summer job program for youth was expected to help in preventing risk behaviors. A series of simple two-group alternative structural equation models are compared to test the effect of the intervention on one key attitudinal outcome in terms of model fit and statistical power with Monte Carlo simulations. Some models presuming parameters equal across the intervention and comparison groups were underpowered to detect the intervention effect, yet modeling the unreliability of the outcome measure increased their statistical power and helped in the detection of the hypothesized effect. Comparative Effectiveness Research (CER) could benefit from flexible multi-group alternative structural models organized in decision trees, and modeling unreliability of measures can be of tremendous help for both the fit of statistical models to the data and their statistical power.

SHOP: a method for structure-based fragment and scaffold hopping.

PubMed

Fontaine, Fabien; Cross, Simon; Plasencia, Guillem; Pastor, Manuel; Zamora, Ismael

2009-03-01

A new method for fragment and scaffold replacement is presented that generates new families of compounds with biological activity, using GRID molecular interaction fields (MIFs) and the crystal structure of the targets. In contrast to virtual screening strategies, this methodology aims only to replace a fragment of the original molecule, maintaining the other structural elements that are known or suspected to have a critical role in ligand binding. First, we report a validation of the method, recovering up to 95% of the original fragments searched among the top-five proposed solutions, using 164 fragment queries from 11 diverse targets. Second, six key customizable parameters are investigated, concluding that filtering the receptor MIF using the co-crystallized ligand atom type has the greatest impact on the ranking of the proposed solutions. Finally, 11 examples using more realistic scenarios have been performed; diverse chemotypes are returned, including some that are similar to compounds that are known to bind to similar targets.

Revealing chemophoric sites in organophosphorus insecticides through the MIA-QSPR modeling of soil sorption data.

PubMed

Daré, Joyce K; Silva, Cristina F; Freitas, Matheus P

2017-10-01

Soil sorption of insecticides employed in agriculture is an important parameter to probe the environmental fate of organic chemicals. Therefore, methods for the prediction of soil sorption of new agrochemical candidates, as well as for the rationalization of the molecular characteristics responsible for a given sorption profile, are extremely beneficial for the environment. A quantitative structure-property relationship method based on chemical structure images as molecular descriptors provided a reliable model for the soil sorption prediction of 24 widely used organophosphorus insecticides. By means of contour maps obtained from the partial least squares regression coefficients and the variable importance in projection scores, key molecular moieties were targeted for possible structural modification, in order to obtain novel and more environmentally friendly insecticide candidates. The image-based descriptors applied encode molecular arrangement, atoms connectivity, groups size, and polarity; consequently, the findings in this work cannot be achieved by a simple relationship with hydrophobicity, usually described by the octanol-water partition coefficient. Copyright © 2017 Elsevier Inc. All rights reserved.

A study of GaN-based LED structure etching using inductively coupled plasma

NASA Astrophysics Data System (ADS)

Wang, Pei; Cao, Bin; Gan, Zhiyin; Liu, Sheng

2011-02-01

GaN as a wide band gap semiconductor has been employed to fabricate optoelectronic devices such as light-emitting diodes (LEDs) and laser diodes (LDs). Recently several different dry etching techniques for GaN-based materials have been developed. ICP etching is attractive because of its superior plasma uniformity and strong controllability. Most previous reports emphasized on the ICP etching characteristics of single GaN film. In this study dry etching of GaN-based LED structure was performed by inductively coupled plasmas (ICP) etching with Cl2 as the base gas and BCl3 as the additive gas. The effects of the key process parameters such as etching gases flow rate, ICP power, RF power and chamber pressure on the etching properties of GaN-based LED structure including etching rate, selectivity, etched surface morphology and sidewall was investigated. Etch depths were measured using a depth profilometer and used to calculate the etch rates. The etch profiles were observed with a scanning electron microscope (SEM).

An impedance-based approach for detection and quantification of damage in cracked plates and loose bolts in bridge structures

NASA Astrophysics Data System (ADS)

Rabiei, Masoud; Sheldon, Jeremy; Palmer, Carl

2012-04-01

The applicability of Electro-Mechanical Impedance (EMI) approach to damage detection, localization and quantification in a mobile bridge structure is investigated in this paper. The developments in this paper focus on assessing the health of Armored Vehicle Launched Bridges (AVLBs). Specifically, two key failure mechanisms of the AVLB to be monitored were fatigue crack growth and damaged (loose) rivets (bolts) were identified. It was shown through experiment that bolt damage (defined here as different torque levels applied to bolts) can be detected, quantified and located using a network of lead zirconate titanate (PZT) transducers distributed on the structure. It was also shown that cracks of various sizes can be detected and quantified using the EMI approach. The experiments were performed on smaller laboratory specimens as well as full size bridge-like components that were built as part of this research. The effects of various parameters such as transducer type and size on the performance of the proposed health assessment approach were also investigated.

Silicon Oxysulfide, OSiS: Rotational Spectrum, Quantum-Chemical Calculations, and Equilibrium Structure.

PubMed

Thorwirth, Sven; Mück, Leonie Anna; Gauss, Jürgen; Tamassia, Filippo; Lattanzi, Valerio; McCarthy, Michael C

2011-06-02

Silicon oxysulfide, OSiS, and seven of its minor isotopic species have been characterized for the first time in the gas phase at high spectral resolution by means of Fourier transform microwave spectroscopy. The equilibrium structure of OSiS has been determined from the experimental data using calculated vibration-rotation interaction constants. The structural parameters (rO-Si = 1.5064 Å and rSi-S = 1.9133 Å) are in very good agreement with values from high-level quantum chemical calculations using coupled-cluster techniques together with sophisticated additivity and extrapolation schemes. The bond distances in OSiS are very short in comparison with those in SiO and SiS. This unexpected finding is explained by the partial charges calculated for OSiS via a natural population analysis. The results suggest that electrostatic effects rather than multiple bonding are the key factors in determining bonding in this triatomic molecule. The data presented provide the spectroscopic information needed for radio astronomical searches for OSiS.

Antibody production using a ciliate generates unusual antibody glycoforms displaying enhanced cell-killing activity

PubMed Central

Calow, Jenny; Bockau, Ulrike; Struwe, Weston B.; Nowaczyk, Marc M.; Loser, Karin; Crispin, Max

2016-01-01

ABSTRACT Antibody glycosylation is a key parameter in the optimization of antibody therapeutics. Here, we describe the production of the anti-cancer monoclonal antibody rituximab in the unicellular ciliate, Tetrahymena thermophila. The resulting antibody demonstrated enhanced antibody-dependent cell-mediated cytotoxicity, which we attribute to unusual N-linked glycosylation. Detailed chromatographic and mass spectrometric analysis revealed afucosylated, oligomannose-type glycans, which, as a whole, displayed isomeric structures that deviate from the typical human counterparts, but whose branches were equivalent to fragments of metabolic intermediates observed in human glycoproteins. From the analysis of deposited crystal structures, we predict that the ciliate glycans adopt protein-carbohydrate interactions with the Fc domain that closely mimic those of native complex-type glycans. In addition, terminal glucose structures were identified that match biosynthetic precursors of human glycosylation. Our results suggest that ciliate-based expression systems offer a route to large-scale production of monoclonal antibodies exhibiting glycosylation that imparts enhanced cell killing activity. PMID:27594301

Steering the Properties of MoOx Hole Transporting Layers in OPVs and OLEDs: Interface Morphology vs. Electronic Structure.

PubMed

Marchal, Wouter; Verboven, Inge; Kesters, Jurgen; Moeremans, Boaz; De Dobbelaere, Christopher; Bonneux, Gilles; Elen, Ken; Conings, Bert; Maes, Wouter; Boyen, Hans Gerd; Deferme, Wim; Van Bael, Marlies; Hardy, An

2017-01-30

The identification, fine-tuning, and process optimization of appropriate hole transporting layers (HTLs) for organic solar cells is indispensable for the production of efficient and sustainable functional devices. In this study, the optimization of a solution-processed molybdenum oxide (MoOx) layer fabricated from a combustion precursor is carried out via the introduction of zirconium and tin additives. The evaluation of the output characteristics of both organic photovoltaic (OPV) and organic light emitting diode (OLED) devices demonstrates the beneficial influence upon the addition of the Zr and Sn ions compared to the generic MoOx precursor. A dopant effect in which the heteroatoms and the molybdenum oxide form a chemical identity with fundamentally different structural properties could not be observed, as the additives do not affect the molybdenum oxide composition or electronic band structure. An improved surface roughness due to a reduced crystallinity was found to be a key parameter leading to the superior performance of the devices employing modified HTLs.

Childhood obesity and cardiac remodeling: from cardiac structure to myocardial mechanics.

PubMed

Tadic, Marijana; Cuspidi, Cesare

2015-08-01

Epidemic of obesity, especially morbid obesity, among children and adolescents, is a key factor associated with the dramatic increase in prevalence of type 2 diabetes mellitus, arterial hypertension, and metabolic syndrome in this population. Furthermore, childhood obesity represents a very important predictor of obesity in adulthood that is related to cardiovascular and cerebrovascular diseases. Overweight and obesity in children and adolescents are associated with impairment of cardiac structure and function. The majority of studies investigated the influence of obesity on left ventricular remodeling. However, the impact of obesity on the right ventricle, both the atria, and myocardial mechanics has been insufficiently studied. The aim of this review article is to summarize all data about heart remodeling in childhood, from cardiac size, throughout systolic and diastolic function, to myocardial mechanics, using a wide range of mainly echocardiographic techniques and parameters. Additionally, we sought to present current knowledge about the influence of weight loss, achieved by various therapeutic approaches, on the improvement of cardiac geometry, structure, and function in obese children and adolescents.

Insights to the effects of free cells on community structure of attached cells and chalcopyrite bioleaching during different stages.

PubMed

Feng, Shoushuai; Yang, Hailin; Wang, Wu

2016-01-01

The effects of free cells on community structure of attached cells and chalcopyrite bioleaching by Acidithiobacillus sp. during different stages were investigated. The attached cells of Acidithiobacillus thiooxidans owned the community advantage from 14thd to the end of bioprocess in the normal system. The community structure of attached cells was greatly influenced in the free cells-deficient systems. Compared to A. thiooxidans, the attached cells community of Acidithiobacillus ferrooxidans had a higher dependence on its free cells. Meanwhile, the analysis of key biochemical parameters revealed that the effects of free cells on chalcopyrite bioleaching in different stages were diverse, ranging from 32.8% to 64.3%. The bioleaching contribution of free cells of A. ferrooxidans in the stationary stage (8-14thd) was higher than those of A. thiooxidans, while the situation was gradually reversed in the jarosite passivation inhibited stage (26-40thd). These results may be useful in guiding chalcopyrite bioleaching. Copyright © 2015 Elsevier Ltd. All rights reserved.

Continuous Variable Quantum Key Distribution Using Polarized Coherent States

NASA Astrophysics Data System (ADS)

Vidiella-Barranco, A.; Borelli, L. F. M.

We discuss a continuous variables method of quantum key distribution employing strongly polarized coherent states of light. The key encoding is performed using the variables known as Stokes parameters, rather than the field quadratures. Their quantum counterpart, the Stokes operators Ŝi (i=1,2,3), constitute a set of non-commuting operators, being the precision of simultaneous measurements of a pair of them limited by an uncertainty-like relation. Alice transmits a conveniently modulated two-mode coherent state, and Bob randomly measures one of the Stokes parameters of the incoming beam. After performing reconciliation and privacy amplification procedures, it is possible to distill a secret common key. We also consider a non-ideal situation, in which coherent states with thermal noise, instead of pure coherent states, are used for encoding.

User's design handbook for a Standardized Control Module (SCM) for DC to DC Converters, volume 2

NASA Technical Reports Server (NTRS)

Lee, F. C.

1980-01-01

A unified design procedure is presented for selecting the key SCM control parameters for an arbitrarily given power stage configuration and parameter values, such that all regulator performance specifications can be met and optimized concurrently in a single design attempt. All key results and performance indices, for buck, boost, and buck/boost switching regulators which are relevant to SCM design considerations are included to facilitate frequent references.

A design protocol for tailoring ice-templated scaffold structure

PubMed Central

Pawelec, K. M.; Husmann, A.; Best, S. M.; Cameron, R. E.

2014-01-01

In this paper, we show, for the first time, the key link between scaffold architecture and latent heat evolution during the production of porous biomedical collagen structures using freeze-drying. Collagen scaffolds are used widely in the biomedical industry for the repair and reconstruction of skeletal tissues and organs. Freeze-drying of collagen slurries is a standard industrial process, and, until now, the literature has sought to characterize the influence of set processing parameters including the freezing protocol and weight percentage of collagen. However, we are able to demonstrate, by monitoring the local thermal events within the slurry during solidification, that nucleation, growth and annealing processes can be controlled, and therefore we are able to control the resulting scaffold architecture. Based on our correlation of thermal profile measurements with scaffold architecture, we hypothesize that there is a link between the fundamental freezing of ice and the structure of scaffolds, which suggests that this concept is applicable not only for collagen but also for ceramics and pharmaceuticals. We present a design protocol of strategies for tailoring the ice-templated scaffold structure. PMID:24402916

Numerical modeling and model updating for smart laminated structures with viscoelastic damping

NASA Astrophysics Data System (ADS)

Lu, Jun; Zhan, Zhenfei; Liu, Xu; Wang, Pan

2018-07-01

This paper presents a numerical modeling method combined with model updating techniques for the analysis of smart laminated structures with viscoelastic damping. Starting with finite element formulation, the dynamics model with piezoelectric actuators is derived based on the constitutive law of the multilayer plate structure. The frequency-dependent characteristics of the viscoelastic core are represented utilizing the anelastic displacement fields (ADF) parametric model in the time domain. The analytical model is validated experimentally and used to analyze the influencing factors of kinetic parameters under parametric variations. Emphasis is placed upon model updating for smart laminated structures to improve the accuracy of the numerical model. Key design variables are selected through the smoothing spline ANOVA statistical technique to mitigate the computational cost. This updating strategy not only corrects the natural frequencies but also improves the accuracy of damping prediction. The effectiveness of the approach is examined through an application problem of a smart laminated plate. It is shown that a good consistency can be achieved between updated results and measurements. The proposed method is computationally efficient.

Quantitative description on structure-property relationships of Li-ion battery materials for high-throughput computations

NASA Astrophysics Data System (ADS)

Wang, Youwei; Zhang, Wenqing; Chen, Lidong; Shi, Siqi; Liu, Jianjun

2017-12-01

Li-ion batteries are a key technology for addressing the global challenge of clean renewable energy and environment pollution. Their contemporary applications, for portable electronic devices, electric vehicles, and large-scale power grids, stimulate the development of high-performance battery materials with high energy density, high power, good safety, and long lifetime. High-throughput calculations provide a practical strategy to discover new battery materials and optimize currently known material performances. Most cathode materials screened by the previous high-throughput calculations cannot meet the requirement of practical applications because only capacity, voltage and volume change of bulk were considered. It is important to include more structure-property relationships, such as point defects, surface and interface, doping and metal-mixture and nanosize effects, in high-throughput calculations. In this review, we established quantitative description of structure-property relationships in Li-ion battery materials by the intrinsic bulk parameters, which can be applied in future high-throughput calculations to screen Li-ion battery materials. Based on these parameterized structure-property relationships, a possible high-throughput computational screening flow path is proposed to obtain high-performance battery materials.

Topological mechanics: from metamaterials to active matter

NASA Astrophysics Data System (ADS)

Vitelli, Vincenzo

2015-03-01

Mechanical metamaterials are artificial structures with unusual properties, such as negative Poisson ratio, bistability or tunable acoustic response, which originate in the geometry of their unit cell. At the heart of such unusual behavior is often a mechanism: a motion that does not significantly stretch or compress the links between constituent elements. When activated by motors or external fields, these soft motions become the building blocks of robots and smart materials. In this talk, we discuss topological mechanisms that possess two key properties: (i) their existence cannot be traced to a local imbalance between degrees of freedom and constraints (ii) they are robust against a wide range of structural deformations or changes in material parameters. The continuum elasticity of these mechanical structures is captured by non-linear field theories with a topological boundary term similar to topological insulators and quantum Hall systems. We present several applications of these concepts to the design and experimental realization of 2D and 3D topological structures based on linkages, origami, buckling meta-materials and lastly active media that break time-reversal symmetry.

Quantitative description on structure-property relationships of Li-ion battery materials for high-throughput computations.

PubMed

Wang, Youwei; Zhang, Wenqing; Chen, Lidong; Shi, Siqi; Liu, Jianjun

2017-01-01

Li-ion batteries are a key technology for addressing the global challenge of clean renewable energy and environment pollution. Their contemporary applications, for portable electronic devices, electric vehicles, and large-scale power grids, stimulate the development of high-performance battery materials with high energy density, high power, good safety, and long lifetime. High-throughput calculations provide a practical strategy to discover new battery materials and optimize currently known material performances. Most cathode materials screened by the previous high-throughput calculations cannot meet the requirement of practical applications because only capacity, voltage and volume change of bulk were considered. It is important to include more structure-property relationships, such as point defects, surface and interface, doping and metal-mixture and nanosize effects, in high-throughput calculations. In this review, we established quantitative description of structure-property relationships in Li-ion battery materials by the intrinsic bulk parameters, which can be applied in future high-throughput calculations to screen Li-ion battery materials. Based on these parameterized structure-property relationships, a possible high-throughput computational screening flow path is proposed to obtain high-performance battery materials.

Correcting oral contraceptive pharmacokinetic alterations due to obesity. A randomized controlled trial

PubMed Central

Edelman, Alison B; Cherala, Ganesh; Munar, Myrna Y.; McInnis, Martha; Stanczyk, Frank Z.; Jensen, Jeffrey T

2014-01-01

Objective To determine if increasing the hormone dose or eliminating the hormone-free interval improves key pharmacokinetic (PK) alterations caused by obesity during oral contraceptive (OC) use. Study design Obese (BMI ≥ 30 kg/m2), ovulatory, otherwise healthy, women received an OC containing 20 mcg ethinyl estradiol (EE)/100 mcg levonorgestrel (LNG) dosed cyclically (21 days active pills with 7-day placebo week) for two cycles and then were randomized for two additional cycles to: Continuous Cycling [CC, a dose neutral arm using the same OC with no hormone-free interval] or Increased Dose [ID, a dose escalation arm using an OC containing 30 mcg EE/150 mcg LNG cyclically]. During Cycle 2, 3, and 4, outpatient visits were performed to assess maximum serum concentration (Cmax), area under the curve (AUC0-∞), and time to steady state as well as pharmacodynamics. These key PK parameters were calculated and compared within groups between baseline and treatment cycles. Results A total of 31 women enrolled and completed the study (CC group n = 16; ID group n = 15). Demographics were similar between groups [mean BMI: CC 38kg/m2 (SD 5.1), ID 41kg/m2 (SD 7.6)]. At baseline, the key LNG PK parameters were no different between groups; average time to reach steady-state was 12 days in both groups; Cmax were CC: 3.82 ± 1.28 ng/mL and ID: 3.13 ± 0.87 ng/mL; and AUC0-∞ were CC: 267 ± 115 hr*ng/mL and ID: 199±75 hr*ng/mL. Following randomization, the CC group maintained steady-state serum levels whereas the ID group had a significantly higher Cmax (p< 0.001) but again required 12 days to achieve steady-state. However, AUC was not significantly different between CC (412 ± 255 hr*ng/mL) and ID (283 ± 130 hr*ng/mL). Forty-five percent (14/31) of the study population had evidence of an active follicle-like structure prior to randomization and afterwards this decreased to 9% (3/31). Conclusion Both increasing the OC dose and continuous dosing appear to counteract the impact of obesity on key OC PK parameters. PMID:25070547

Final Report, DOE Early Career Award: Predictive modeling of complex physical systems: new tools for statistical inference, uncertainty quantification, and experimental design

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

Marzouk, Youssef

Predictive simulation of complex physical systems increasingly rests on the interplay of experimental observations with computational models. Key inputs, parameters, or structural aspects of models may be incomplete or unknown, and must be developed from indirect and limited observations. At the same time, quantified uncertainties are needed to qualify computational predictions in the support of design and decision-making. In this context, Bayesian statistics provides a foundation for inference from noisy and limited data, but at prohibitive computional expense. This project intends to make rigorous predictive modeling *feasible* in complex physical systems, via accelerated and scalable tools for uncertainty quantification, Bayesianmore » inference, and experimental design. Specific objectives are as follows: 1. Develop adaptive posterior approximations and dimensionality reduction approaches for Bayesian inference in high-dimensional nonlinear systems. 2. Extend accelerated Bayesian methodologies to large-scale {\\em sequential} data assimilation, fully treating nonlinear models and non-Gaussian state and parameter distributions. 3. Devise efficient surrogate-based methods for Bayesian model selection and the learning of model structure. 4. Develop scalable simulation/optimization approaches to nonlinear Bayesian experimental design, for both parameter inference and model selection. 5. Demonstrate these inferential tools on chemical kinetic models in reacting flow, constructing and refining thermochemical and electrochemical models from limited data. Demonstrate Bayesian filtering on canonical stochastic PDEs and in the dynamic estimation of inhomogeneous subsurface properties and flow fields.« less

Gas Mass Tracers in Protoplanetary Disks: CO is Still the Best

NASA Astrophysics Data System (ADS)

Molyarova, Tamara; Akimkin, Vitaly; Semenov, Dmitry; Henning, Thomas; Vasyunin, Anton; Wiebe, Dmitri

2017-11-01

Protoplanetary disk mass is a key parameter controlling the process of planetary system formation. CO molecular emission is often used as a tracer of gas mass in the disk. In this study, we consider the ability of CO to trace the gas mass over a wide range of disk structural parameters, and we search for chemical species that could possibly be used as alternative mass tracers to CO. Specifically, we apply detailed astrochemical modeling to a large set of models of protoplanetary disks around low-mass stars to select molecules with abundances correlated with the disk mass and being relatively insensitive to other disk properties. We do not consider sophisticated dust evolution models, restricting ourselves to the standard astrochemical assumption of 0.1 μm dust. We find that CO is indeed the best molecular tracer for total gas mass, despite the fact that it is not the main carbon carrier, provided reasonable assumptions about CO abundance in the disk are used. Typically, chemical reprocessing lowers the abundance of CO by a factor of 3, compared to the case where photodissociation and freeze-out are the only ways of CO depletion. On average, only 13% C atoms reside in gas-phase CO, albeit with variations from 2% to 30%. CO2, H2O, and H2CO can potentially serve as alternative mass tracers, with the latter two only applicable if disk structural parameters are known.

Recent progress of erbium-doped fiber amplifiers and their components

NASA Astrophysics Data System (ADS)

Fukushima, Masaru; Miura, Jutaro

2007-09-01

The Erbium-doped fiber amplifiers (EDFA) are widely available in a today's commercial market, and are deployed in various optical transmission applications from terrestrial system to undersea system. Broad gain spectrum over 9 THz enabled huge growth of bandwidth usage in 1550nm region aimed at broadband Internet, and its broad gain characteristics triggered bandwidth competition on dense wavelength division multiplex (DWDM) network these ten years. At first, we briefly review the evolutional history of EDFA with previous achievements. And we will explain the primary and important key devices which compose EDFA. We will discuss design parameters, and recent trend and achievements of the devices, which cover Erbium-doped fibers (EDF), 980-nm laser diodes (LD), and gain flattening filters (GFFs). The chip structure of 980-nm LD is explained to achieve high power and to realize high reliability. These key devices enabled EDFA to prevail in commercial area. After the discussion of key components, we will introduce recent achievements of gain controlled EDFAs which are applied in conjunction with Re-configurable Optical Add/Drop Multiplexer (ROADM). We will report the transient gain dynamics of the cascaded EDFAs with a recirculating loop experiment.

Kink dynamics in a parametric Φ 6 system: a model with controllably many internal modes

DOE PAGES

Demirkaya, A.; Decker, R.; Kevrekidis, P. G.; ...

2017-12-14

We explore a variant of the Φ 6 model originally proposed in Phys. Rev.D 12 (1975) 1606 as a prototypical, so-called, “bag” model in which domain walls play the role of quarks within hadrons. We examine the steady state of the model, namely an apparent bound state of two kink structures. We explore its linearization, and we find that, as a function of a parameter controlling the curvature of the potential, an effectively arbitrary number of internal modes may arise in the point spectrum of the linearization about the domain wall profile. We explore some of the key characteristics ofmore » kink-antikink collisions, such as the critical velocity and the multi-bounce windows, and how they depend on the principal parameter of the model. We find that the critical velocity exhibits a non-monotonic dependence on the parameter controlling the curvature of the potential. For the multi-bounce windows, we find that their range and complexity decrease as the relevant parameter decreases (and as the number of internal modes in the model increases). We use a modified collective coordinates method [in the spirit of recent works such as Phys. Rev.D 94 (2016) 085008] in order to capture the relevant phenomenology in a semi-analytical manner.« less

Kink dynamics in a parametric Φ 6 system: a model with controllably many internal modes

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

Demirkaya, A.; Decker, R.; Kevrekidis, P. G.

We explore a variant of the Φ 6 model originally proposed in Phys. Rev.D 12 (1975) 1606 as a prototypical, so-called, “bag” model in which domain walls play the role of quarks within hadrons. We examine the steady state of the model, namely an apparent bound state of two kink structures. We explore its linearization, and we find that, as a function of a parameter controlling the curvature of the potential, an effectively arbitrary number of internal modes may arise in the point spectrum of the linearization about the domain wall profile. We explore some of the key characteristics ofmore » kink-antikink collisions, such as the critical velocity and the multi-bounce windows, and how they depend on the principal parameter of the model. We find that the critical velocity exhibits a non-monotonic dependence on the parameter controlling the curvature of the potential. For the multi-bounce windows, we find that their range and complexity decrease as the relevant parameter decreases (and as the number of internal modes in the model increases). We use a modified collective coordinates method [in the spirit of recent works such as Phys. Rev.D 94 (2016) 085008] in order to capture the relevant phenomenology in a semi-analytical manner.« less

Hyper-Spectral Image Analysis With Partially Latent Regression and Spatial Markov Dependencies

NASA Astrophysics Data System (ADS)

Deleforge, Antoine; Forbes, Florence; Ba, Sileye; Horaud, Radu

2015-09-01

Hyper-spectral data can be analyzed to recover physical properties at large planetary scales. This involves resolving inverse problems which can be addressed within machine learning, with the advantage that, once a relationship between physical parameters and spectra has been established in a data-driven fashion, the learned relationship can be used to estimate physical parameters for new hyper-spectral observations. Within this framework, we propose a spatially-constrained and partially-latent regression method which maps high-dimensional inputs (hyper-spectral images) onto low-dimensional responses (physical parameters such as the local chemical composition of the soil). The proposed regression model comprises two key features. Firstly, it combines a Gaussian mixture of locally-linear mappings (GLLiM) with a partially-latent response model. While the former makes high-dimensional regression tractable, the latter enables to deal with physical parameters that cannot be observed or, more generally, with data contaminated by experimental artifacts that cannot be explained with noise models. Secondly, spatial constraints are introduced in the model through a Markov random field (MRF) prior which provides a spatial structure to the Gaussian-mixture hidden variables. Experiments conducted on a database composed of remotely sensed observations collected from the Mars planet by the Mars Express orbiter demonstrate the effectiveness of the proposed model.

Gingival Retraction Methods: A Systematic Review.

PubMed

Tabassum, Sadia; Adnan, Samira; Khan, Farhan Raza

2017-12-01

The aim of this systematic review was to assess the gingival retraction methods in terms of the amount of gingival retraction achieved and changes observed in various clinical parameters: gingival index (GI), plaque index (PI), probing depth (PD), and attachment loss (AL). Data sources included three major databases, PubMed, CINAHL plus (Ebsco), and Cochrane, along with hand search. Search was made using the key terms in different permutations of gingival retraction* AND displacement method* OR technique* OR agents OR material* OR medicament*. The initial search results yielded 145 articles which were narrowed down to 10 articles using a strict eligibility criteria of including clinical trials or experimental studies on gingival retraction methods with the amount of tooth structure gained and assessment of clinical parameters as the outcomes conducted on human permanent teeth only. Gingival retraction was measured in 6/10 studies whereas the clinical parameters were assessed in 5/10 studies. The total number of teeth assessed in the 10 included studies was 400. The most common method used for gingival retraction was chemomechanical. The results were heterogeneous with regards to the outcome variables. No method seemed to be significantly superior to the other in terms of gingival retraction achieved. Clinical parameters were not significantly affected by the gingival retraction method. © 2016 by the American College of Prosthodontists.

ADVANCED WAVEFORM SIMULATION FOR SEISMIC MONITORING EVENTS

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

Helmberger, Donald V.; Tromp, Jeroen; Rodgers, Arthur J.

Earthquake source parameters underpin several aspects of nuclear explosion monitoring. Such aspects are: calibration of moment magnitudes (including coda magnitudes) and magnitude and distance amplitude corrections (MDAC); source depths; discrimination by isotropic moment tensor components; and waveform modeling for structure (including waveform tomography). This project seeks to improve methods for and broaden the applicability of estimating source parameters from broadband waveforms using the Cut-and-Paste (CAP) methodology. The CAP method uses a library of Green’s functions for a one-dimensional (1D, depth-varying) seismic velocity model. The method separates the main arrivals of the regional waveform into 5 windows: Pnl (vertical and radialmore » components), Rayleigh (vertical and radial components) and Love (transverse component). Source parameters are estimated by grid search over strike, dip, rake and depth and seismic moment or equivalently moment magnitude, MW, are adjusted to fit the amplitudes. Key to the CAP method is allowing the synthetic seismograms to shift in time relative to the data in order to account for path-propagation errors (delays) in the 1D seismic velocity model used to compute the Green’s functions. The CAP method has been shown to improve estimates of source parameters, especially when delay and amplitude biases are calibrated using high signal-to-noise data from moderate earthquakes, CAP+.« less

Kink dynamics in a parametric ϕ 6 system: a model with controllably many internal modes

NASA Astrophysics Data System (ADS)

Demirkaya, A.; Decker, R.; Kevrekidis, P. G.; Christov, I. C.; Saxena, A.

2017-12-01

We explore a variant of the ϕ 6 model originally proposed in Phys. Rev. D 12 (1975) 1606 as a prototypical, so-called, "bag" model in which domain walls play the role of quarks within hadrons. We examine the steady state of the model, namely an apparent bound state of two kink structures. We explore its linearization, and we find that, as a function of a parameter controlling the curvature of the potential, an effectively arbitrary number of internal modes may arise in the point spectrum of the linearization about the domain wall profile. We explore some of the key characteristics of kink-antikink collisions, such as the critical velocity and the multi-bounce windows, and how they depend on the principal parameter of the model. We find that the critical velocity exhibits a non-monotonic dependence on the parameter controlling the curvature of the potential. For the multi-bounce windows, we find that their range and complexity decrease as the relevant parameter decreases (and as the number of internal modes in the model increases). We use a modified collective coordinates method [in the spirit of recent works such as Phys. Rev. D 94 (2016) 085008] in order to capture the relevant phenomenology in a semi-analytical manner.

AmapSim: A Structural Whole-plant Simulator Based on Botanical Knowledge and Designed to Host External Functional Models

PubMed Central

Barczi, Jean-François; Rey, Hervé; Caraglio, Yves; de Reffye, Philippe; Barthélémy, Daniel; Dong, Qiao Xue; Fourcaud, Thierry

2008-01-01

Background and Aims AmapSim is a tool that implements a structural plant growth model based on a botanical theory and simulates plant morphogenesis to produce accurate, complex and detailed plant architectures. This software is the result of more than a decade of research and development devoted to plant architecture. New advances in the software development have yielded plug-in external functions that open up the simulator to functional processes. Methods The simulation of plant topology is based on the growth of a set of virtual buds whose activity is modelled using stochastic processes. The geometry of the resulting axes is modelled by simple descriptive functions. The potential growth of each bud is represented by means of a numerical value called physiological age, which controls the value for each parameter in the model. The set of possible values for physiological ages is called the reference axis. In order to mimic morphological and architectural metamorphosis, the value allocated for the physiological age of buds evolves along this reference axis according to an oriented finite state automaton whose occupation and transition law follows a semi-Markovian function. Key Results Simulations were performed on tomato plants to demostrate how the AmapSim simulator can interface external modules, e.g. a GREENLAB growth model and a radiosity model. Conclusions The algorithmic ability provided by AmapSim, e.g. the reference axis, enables unified control to be exercised over plant development parameter values, depending on the biological process target: how to affect the local pertinent process, i.e. the pertinent parameter(s), while keeping the rest unchanged. This opening up to external functions also offers a broadened field of applications and thus allows feedback between plant growth and the physical environment. PMID:17766310

Bayesian calibration of mechanistic aquatic biogeochemical models and benefits for environmental management

NASA Astrophysics Data System (ADS)

Arhonditsis, George B.; Papantou, Dimitra; Zhang, Weitao; Perhar, Gurbir; Massos, Evangelia; Shi, Molu

2008-09-01

Aquatic biogeochemical models have been an indispensable tool for addressing pressing environmental issues, e.g., understanding oceanic response to climate change, elucidation of the interplay between plankton dynamics and atmospheric CO 2 levels, and examination of alternative management schemes for eutrophication control. Their ability to form the scientific basis for environmental management decisions can be undermined by the underlying structural and parametric uncertainty. In this study, we outline how we can attain realistic predictive links between management actions and ecosystem response through a probabilistic framework that accommodates rigorous uncertainty analysis of a variety of error sources, i.e., measurement error, parameter uncertainty, discrepancy between model and natural system. Because model uncertainty analysis essentially aims to quantify the joint probability distribution of model parameters and to make inference about this distribution, we believe that the iterative nature of Bayes' Theorem is a logical means to incorporate existing knowledge and update the joint distribution as new information becomes available. The statistical methodology begins with the characterization of parameter uncertainty in the form of probability distributions, then water quality data are used to update the distributions, and yield posterior parameter estimates along with predictive uncertainty bounds. Our illustration is based on a six state variable (nitrate, ammonium, dissolved organic nitrogen, phytoplankton, zooplankton, and bacteria) ecological model developed for gaining insight into the mechanisms that drive plankton dynamics in a coastal embayment; the Gulf of Gera, Island of Lesvos, Greece. The lack of analytical expressions for the posterior parameter distributions was overcome using Markov chain Monte Carlo simulations; a convenient way to obtain representative samples of parameter values. The Bayesian calibration resulted in realistic reproduction of the key temporal patterns of the system, offered insights into the degree of information the data contain about model inputs, and also allowed the quantification of the dependence structure among the parameter estimates. Finally, our study uses two synthetic datasets to examine the ability of the updated model to provide estimates of predictive uncertainty for water quality variables of environmental management interest.

Determination of remodeling parameters for a strain-adaptive finite element model of the distal ulna.

PubMed

Neuert, Mark A C; Dunning, Cynthia E

2013-09-01

Strain energy-based adaptive material models are used to predict bone resorption resulting from stress shielding induced by prosthetic joint implants. Generally, such models are governed by two key parameters: a homeostatic strain-energy state (K) and a threshold deviation from this state required to initiate bone reformation (s). A refinement procedure has been performed to estimate these parameters in the femur and glenoid; this study investigates the specific influences of these parameters on resulting density distributions in the distal ulna. A finite element model of a human ulna was created using micro-computed tomography (µCT) data, initialized to a homogeneous density distribution, and subjected to approximate in vivo loading. Values for K and s were tested, and the resulting steady-state density distribution compared with values derived from µCT images. The sensitivity of these parameters to initial conditions was examined by altering the initial homogeneous density value. The refined model parameters selected were then applied to six additional human ulnae to determine their performance across individuals. Model accuracy using the refined parameters was found to be comparable with that found in previous studies of the glenoid and femur, and gross bone structures, such as the cortical shell and medullary canal, were reproduced. The model was found to be insensitive to initial conditions; however, a fair degree of variation was observed between the six specimens. This work represents an important contribution to the study of changes in load transfer in the distal ulna following the implementation of commercial orthopedic implants.

Parameter Uncertainty on AGCM-simulated Tropical Cyclones

NASA Astrophysics Data System (ADS)

He, F.

2015-12-01

This work studies the parameter uncertainty on tropical cyclone (TC) simulations in Atmospheric General Circulation Models (AGCMs) using the Reed-Jablonowski TC test case, which is illustrated in Community Atmosphere Model (CAM). It examines the impact from 24 parameters across the physical parameterization schemes that represent the convection, turbulence, precipitation and cloud processes in AGCMs. The one-at-a-time (OAT) sensitivity analysis method first quantifies their relative importance on TC simulations and identifies the key parameters to the six different TC characteristics: intensity, precipitation, longwave cloud radiative forcing (LWCF), shortwave cloud radiative forcing (SWCF), cloud liquid water path (LWP) and ice water path (IWP). Then, 8 physical parameters are chosen and perturbed using the Latin-Hypercube Sampling (LHS) method. The comparison between OAT ensemble run and LHS ensemble run shows that the simulated TC intensity is mainly affected by the parcel fractional mass entrainment rate in Zhang-McFarlane (ZM) deep convection scheme. The nonlinear interactive effect among different physical parameters is negligible on simulated TC intensity. In contrast, this nonlinear interactive effect plays a significant role in other simulated tropical cyclone characteristics (precipitation, LWCF, SWCF, LWP and IWP) and greatly enlarge their simulated uncertainties. The statistical emulator Extended Multivariate Adaptive Regression Splines (EMARS) is applied to characterize the response functions for nonlinear effect. Last, we find that the intensity uncertainty caused by physical parameters is in a degree comparable to uncertainty caused by model structure (e.g. grid) and initial conditions (e.g. sea surface temperature, atmospheric moisture). These findings suggest the importance of using the perturbed physics ensemble (PPE) method to revisit tropical cyclone prediction under climate change scenario.

Subject-specific finite element modelling of the human foot complex during walking: sensitivity analysis of material properties, boundary and loading conditions.

PubMed

Akrami, Mohammad; Qian, Zhihui; Zou, Zhemin; Howard, David; Nester, Chris J; Ren, Lei

2018-04-01

The objective of this study was to develop and validate a subject-specific framework for modelling the human foot. This was achieved by integrating medical image-based finite element modelling, individualised multi-body musculoskeletal modelling and 3D gait measurements. A 3D ankle-foot finite element model comprising all major foot structures was constructed based on MRI of one individual. A multi-body musculoskeletal model and 3D gait measurements for the same subject were used to define loading and boundary conditions. Sensitivity analyses were used to investigate the effects of key modelling parameters on model predictions. Prediction errors of average and peak plantar pressures were below 10% in all ten plantar regions at five key gait events with only one exception (lateral heel, in early stance, error of 14.44%). The sensitivity analyses results suggest that predictions of peak plantar pressures are moderately sensitive to material properties, ground reaction forces and muscle forces, and significantly sensitive to foot orientation. The maximum region-specific percentage change ratios (peak stress percentage change over parameter percentage change) were 1.935-2.258 for ground reaction forces, 1.528-2.727 for plantar flexor muscles and 4.84-11.37 for foot orientations. This strongly suggests that loading and boundary conditions need to be very carefully defined based on personalised measurement data.

Prevention through Design Adoption Readiness Model (PtD ARM): An integrated conceptual model.

PubMed

Weidman, Justin; Dickerson, Deborah E; Koebel, Charles T

2015-01-01

Prevention through Design (PtD), eliminating hazards at the design-stage of tools and systems, is the optimal method of mitigating occupational health and safety risks. A recent National Institute of Safety and Health initiative has established a goal to increase adoption of PtD innovation in industry. The construction industry has traditionally lagged behind other sectors in the adoption of innovation, in general; and of safety and health prevention innovation, in particular. Therefore, as a first step toward improving adoption trends in this sector, a conceptual model was developed to describe the parameters and causal relationships that influence and predict construction stakeholder "adoption readiness" for PtD technology innovation. This model was built upon three well-established theoretical frameworks: the Health Belief Model, the Diffusion of Innovation Model, and the Technology Acceptance Model. Earp and Ennett's model development methodology was employed to build a depiction of the key constructs and directionality and magnitude of relationships among them. Key constructs were identified from the literature associated with the three theoretical frameworks, with special emphasis given to studies related to construction or OHS technology adoption. A conceptual model is presented. Recommendations for future research are described and include confirmatory structural equation modeling of model parameters and relationships, additional descriptive investigation of barriers to adoption in some trade sectors, and design and evaluation of an intervention strategy.

Scenario analysis for techno-economic model development of U.S. offshore wind support structures

DOE PAGES

Damiani, Rick; Ning, Andrew; Maples, Ben; ...

2016-09-22

Challenging bathymetry and soil conditions of future US offshore wind power plants might promote the use of multimember, fixed-bottom structures (or 'jackets') in place of monopiles. Support structures affect costs associated with the balance of system and operation and maintenance. Understanding the link between these costs and the main environmental design drivers is crucial in the quest for a lower levelized cost of energy, and it is the main rationale for this work. Actual cost and engineering data are still scarce; hence, we evaluated a simplified engineering approach to tie key site and turbine parameters (e.g. water depth, wave height,more » tower-head mass, hub height and generator rating) to the overall support weight. A jacket-and-tower sizing tool, part of the National Renewable Energy Laboratory's system engineering software suite, was utilized to achieve mass-optimized support structures for 81 different configurations. This tool set provides preliminary sizing of all jacket components. Results showed reasonable agreement with the available industry data, and that the jacket mass is mainly driven by water depth, but hub height and tower-head mass become more influential at greater turbine ratings. A larger sensitivity of the structural mass to wave height and target eigenfrequency was observed for the deepest water conditions (>40 m). Thus, techno-economic analyses using this model should be based on accurate estimates of actual metocean conditions and turbine parameters especially for deep waters. Finally, the relationships derived from this study will inform National Renewable Energy Laboratory's offshore balance of system cost model, and they will be used to evaluate the impact of changes in technology on offshore wind lower levelized cost of energy.« less

Role of jet spacing and strut geometry on the formation of large scale structures and mixing characteristics

NASA Astrophysics Data System (ADS)

Soni, Rahul Kumar; De, Ashoke

2018-05-01

The present study primarily focuses on the effect of the jet spacing and strut geometry on the evolution and structure of the large-scale vortices which play a key role in mixing characteristics in turbulent supersonic flows. Numerically simulated results corresponding to varying parameters such as strut geometry and jet spacing (Xn = nDj such that n = 2, 3, and 5) for a square jet of height Dj = 0.6 mm are presented in the current study, while the work also investigates the presence of the local quasi-two-dimensionality for the X2(2Dj) jet spacing; however, the same is not true for higher jet spacing. Further, the tapered strut (TS) section is modified into the straight strut (SS) for investigation, where the remarkable difference in flow physics is unfolded between the two configurations for similar jet spacing (X2: 2Dj). The instantaneous density and vorticity contours reveal the structures of varying scales undergoing different evolution for the different configurations. The effect of local spanwise rollers is clearly manifested in the mixing efficiency and the jet spreading rate. The SS configuration exhibits excellent near field mixing behavior amongst all the arrangements. However, in the case of TS cases, only the X2(2Dj) configuration performs better due to the presence of local spanwise rollers. The qualitative and quantitative analysis reveals that near-field mixing is strongly affected by the two-dimensional rollers, while the early onset of the wake mode is another crucial parameter to have improved mixing. Modal decomposition performed for the SS arrangement sheds light onto the spatial and temporal coherence of the structures, where the most dominant structures are found to be the von Kármán street vortices in the wake region.

Design and engineering of photosynthetic light-harvesting and electron transfer using length, time, and energy scales.

PubMed

Noy, Dror; Moser, Christopher C; Dutton, P Leslie

2006-02-01

Decades of research on the physical processes and chemical reaction-pathways in photosynthetic enzymes have resulted in an extensive database of kinetic information. Recently, this database has been augmented by a variety of high and medium resolution crystal structures of key photosynthetic enzymes that now include the two photosystems (PSI and PSII) of oxygenic photosynthetic organisms. Here, we examine the currently available structural and functional information from an engineer's point of view with the long-term goal of reproducing the key features of natural photosystems in de novo designed and custom-built molecular solar energy conversion devices. We find that the basic physics of the transfer processes, namely, the time constraints imposed by the rates of incoming photon flux and the various decay processes allow for a large degree of tolerance in the engineering parameters. Moreover, we find that the requirements to guarantee energy and electron transfer rates that yield high efficiency in natural photosystems are largely met by control of distance between chromophores and redox cofactors. Thus, for projected de novo designed constructions, the control of spatial organization of cofactor molecules within a dense array is initially given priority. Nevertheless, constructions accommodating dense arrays of different cofactors, some well within 1 nm from each other, still presents a significant challenge for protein design.

Design and Fabrication of a Tank-Applied Broad Area Cooling Shield Coupon

NASA Technical Reports Server (NTRS)

Wood, J. J.; Middlemas, M. R.

2012-01-01

The small-scale broad area cooling (BAC) shield test panel represents a section of the cryogenic propellant storage and transfer ground test article, a flight-like cryogenic propellant storage tank. The test panel design includes an aluminum tank shell, primer, spray-on foam insulation, multilayer insulation (MLI), and BAC shield hardware. This assembly was sized to accurately represent the character of the MLI/BAC shield system, be quickly and inexpensively assembled, and be tested in the Marshall Space Flight Center Acoustic Test Facility. Investigating the BAC shield response to a worst-case launch dynamic load was the key purpose for developing the test article and performing the test. A preliminary method for structurally supporting the BAC shield using low-conductivity standoffs was designed, manufactured, and evaluated as part of the test. The BAC tube-standoff interface and unsupported BAC tube lengths were key parameters for evaluation. No noticeable damage to any system hardware element was observed after acoustic testing.

Position calibration of a 3-DOF hand-controller with hybrid structure

NASA Astrophysics Data System (ADS)

Zhu, Chengcheng; Song, Aiguo

2017-09-01

A hand-controller is a human-robot interactive device, which measures the 3-DOF (Degree of Freedom) position of the human hand and sends it as a command to control robot movement. The device also receives 3-DOF force feedback from the robot and applies it to the human hand. Thus, the precision of 3-DOF position measurements is a key performance factor for hand-controllers. However, when using a hybrid type 3-DOF hand controller, various errors occur and are considered originating from machining and assembly variations within the device. This paper presents a calibration method to improve the position tracking accuracy of hybrid type hand-controllers by determining the actual size of the hand-controller parts. By re-measuring and re-calibrating this kind of hand-controller, the actual size of the key parts that cause errors is determined. Modifying the formula parameters with the actual sizes, which are obtained in the calibrating process, improves the end position tracking accuracy of the device.

Surface Connectivity and Interocean Exchanges From Drifter-Based Transition Matrices

NASA Astrophysics Data System (ADS)

McAdam, Ronan; van Sebille, Erik

2018-01-01

Global surface transport in the ocean can be represented by using the observed trajectories of drifters to calculate probability distribution functions. The oceanographic applications of the Markov Chain approach to modeling include tracking of floating debris and water masses, globally and on yearly-to-centennial time scales. Here we analyze the error inherent with mapping trajectories onto a grid and the consequences for ocean transport modeling and detection of accumulation structures. A sensitivity analysis of Markov Chain parameters is performed in an idealized Stommel gyre and western boundary current as well as with observed ocean drifters, complementing previous studies on widespread floating debris accumulation. Focusing on two key areas of interocean exchange—the Agulhas system and the North Atlantic intergyre transport barrier—we assess the capacity of the Markov Chain methodology to detect surface connectivity and dynamic transport barriers. Finally, we extend the methodology's functionality to separate the geostrophic and nongeostrophic contributions to interocean exchange in these key regions.

Higher locus coeruleus MRI contrast is associated with lower parasympathetic influence over heart rate variability.

PubMed

Mather, Mara; Joo Yoo, Hyun; Clewett, David V; Lee, Tae-Ho; Greening, Steven G; Ponzio, Allison; Min, Jungwon; Thayer, Julian F

2017-04-15

The locus coeruleus (LC) is a key node of the sympathetic nervous system and suppresses parasympathetic activity that would otherwise increase heart rate variability. In the current study, we examined whether LC-MRI contrast reflecting neuromelanin accumulation in the LC was associated with high-frequency heart rate variability (HF-HRV), a measure reflecting parasympathetic influences on the heart. Recent evidence indicates that neuromelanin, a byproduct of catecholamine metabolism, accumulates in the LC through young and mid adulthood, suggesting that LC-MRI contrast may be a useful biomarker of individual differences in habitual LC activation. We found that, across younger and older adults, greater LC-MRI contrast was negatively associated with HF-HRV during fear conditioning and spatial detection tasks. This correlation was not accounted for by individual differences in age or anxiety. These findings indicate that individual differences in LC structure relate to key cardiovascular parameters. Copyright © 2017 Elsevier Inc. All rights reserved.

Superlattice formation lifting degeneracy protected by nonsymmorphic symmetry through a metal-insulator transition in RuAs

NASA Astrophysics Data System (ADS)

Kotegawa, Hisashi; Takeda, Keiki; Kuwata, Yoshiki; Hayashi, Junichi; Tou, Hideki; Sugawara, Hitoshi; Sakurai, Takahiro; Ohta, Hitoshi; Harima, Hisatomo

2018-05-01

A single crystal of RuAs obtained with the Bi-flux method shows obvious successive metal-insulator transitions at TMI 1˜255 K and TMI 2˜195 K. The x-ray diffraction measurement reveals the formation of a superlattice of 3 ×3 ×3 of the original unit cell below TMI 2, accompanied by a change of the crystal system from the orthorhombic structure to the monoclinic one. Simple dimerization of the Ru ions is not seen in the ground state. The multiple As sites observed in the nuclear quadrupole resonance spectrum also demonstrate the formation of the superlattice in the ground state, which is clarified to be nonmagnetic. The divergence in 1 /T1 at TMI 1 shows that a symmetry lowering by the metal-insulator transition is accompanied by strong critical fluctuations of some degrees of freedom. Using the structural parameters in the insulating state, the first-principles calculation reproduces successfully the reasonable size of nuclear quadrupole frequencies νQ for the multiple As sites, ensuring the high validity of the structural parameters. The calculation also gives a remarkable suppression in the density of states near the Fermi level, although the gap opening is insufficient. A coupled modulation of the calculated Ru d -electron numbers and the crystal structure proposes the formation of a charge density wave in RuAs. Some lacking factors remain, but it is shown that a lifting of degeneracy protected by the nonsymmorphic symmetry through the superlattice formation is a key ingredient for the metal-insulator transition in RuAs.

Spinous TiO₂ and Au@TiO₂ octahedral nanocages: amorphisity-to-crystallinity transition-driven surface structural construction and photocatalytic study.

PubMed

Li, Jie; Zu, Lianhai; Li, Ying; Jin, Chao; Qin, Yao; Shi, Donglu; Yang, Jinhu

2014-07-15

Novel spinous TiO2 and Au@TiO2 octahedral nanocages have been prepared through a well-designed three-step strategy including templated TiO2 wet coating, subsequent structural ripening and final template removal or transformation. The strategy is built on an amorphisity-to-crystallinity transition-driven surface structural construction, which emphasizes the critical steps of crystallization-controlled TiO2 coating and consequent structural ripening. The influence of some key parameters, such as coating temperature, ripening temperature and ripening time, on the structure and morphology of the spinous TiO2 and Au@TiO2 nanocages have been investigated. In addition, in photocatalytic measurements, the prepared spinous TiO2-based nanocages exhibit enhanced photocatalytic efficiency relative to spinousless TiO2-based nanocages as well as P-25, owing to their structure advantages resulting from spinous surfaces. The photocatalytic activity of these TiO2 based photocatalysts has been systematically studied through the corresponding ·OH radical measurements. The synthetic strategy may work as a general method, through similarly designing, to realize surface structure engineering for various materials such as metals, hydroxide and other oxides besides TiO2. Copyright © 2014 Elsevier Inc. All rights reserved.

Structure-Property-Function Relationship in Humic Substances to Explain the Biological Activity in Plants

PubMed Central

García, Andrés Calderín; de Souza, Luiz Gilberto Ambrosio; Pereira, Marcos Gervasio; Castro, Rosane Nora; García-Mina, José María; Zonta, Everaldo; Lisboa, Francy Junior Gonçalves; Berbara, Ricardo Luis Louro

2016-01-01

Knowledge of the structure-property-function relationship of humic substances (HSs) is key for understanding their role in soil. Despite progress, studies on this topic are still under discussion. We analyzed 37 humic fractions with respect to their isotopic composition, structural characteristics, and properties responsible for stimulating plant root parameters. We showed that regardless of the source of origin of the carbon (C3 or C4), soil-extracted HSs and humic acids (HAs) are structurally similar to each other. The more labile and functionalized HS fraction is responsible for root emission, whereas the more recalcitrant and less functionalized HA fraction is related to root growth. Labile structures promote root stimulation at lower concentrations, while recalcitrant structures require higher concentrations to promote a similar stimulus. These findings show that lability and recalcitrance, which are derived properties of humic fractions, are related to the type and intensity of their bioactivity. In summary, the comparison of humic fractions allowed a better understanding of the relationship between the source of origin of plant carbon and the structure, properties, and type and intensity of the bioactivity of HSs in plants. In this study, scientific concepts are unified and the basis for the agronomic use of HSs is established. PMID:26862010

Stigmergic construction and topochemical information shape ant nest architecture

PubMed Central

Khuong, Anaïs; Gautrais, Jacques; Perna, Andrea; Sbaï, Chaker; Combe, Maud; Kuntz, Pascale; Jost, Christian; Theraulaz, Guy

2016-01-01

The nests of social insects are not only impressive because of their sheer complexity but also because they are built from individuals whose work is not centrally coordinated. A key question is how groups of insects coordinate their building actions. Here, we use a combination of experimental and modeling approaches to investigate nest construction in the ant Lasius niger. We quantify the construction dynamics and the 3D structures built by ants. Then, we characterize individual behaviors and the interactions of ants with the structures they build. We show that two main interactions are involved in the coordination of building actions: (i) a stigmergic-based interaction that controls the amplification of depositions at some locations and is attributable to a pheromone added by ants to the building material; and (ii) a template-based interaction in which ants use their body size as a cue to control the height at which they start to build a roof from existing pillars. We then develop a 3D stochastic model based on these individual behaviors to analyze the effect of pheromone presence and strength on construction dynamics. We show that the model can quantitatively reproduce key features of construction dynamics, including a large-scale pattern of regularly spaced pillars, the formation and merging of caps over the pillars, and the remodeling of built structures. Finally, our model suggests that the lifetime of the pheromone is a highly influential parameter that controls the growth and form of nest architecture. PMID:26787857

Stigmergic construction and topochemical information shape ant nest architecture.

PubMed

Khuong, Anaïs; Gautrais, Jacques; Perna, Andrea; Sbaï, Chaker; Combe, Maud; Kuntz, Pascale; Jost, Christian; Theraulaz, Guy

2016-02-02

The nests of social insects are not only impressive because of their sheer complexity but also because they are built from individuals whose work is not centrally coordinated. A key question is how groups of insects coordinate their building actions. Here, we use a combination of experimental and modeling approaches to investigate nest construction in the ant Lasius niger. We quantify the construction dynamics and the 3D structures built by ants. Then, we characterize individual behaviors and the interactions of ants with the structures they build. We show that two main interactions are involved in the coordination of building actions: (i) a stigmergic-based interaction that controls the amplification of depositions at some locations and is attributable to a pheromone added by ants to the building material; and (ii) a template-based interaction in which ants use their body size as a cue to control the height at which they start to build a roof from existing pillars. We then develop a 3D stochastic model based on these individual behaviors to analyze the effect of pheromone presence and strength on construction dynamics. We show that the model can quantitatively reproduce key features of construction dynamics, including a large-scale pattern of regularly spaced pillars, the formation and merging of caps over the pillars, and the remodeling of built structures. Finally, our model suggests that the lifetime of the pheromone is a highly influential parameter that controls the growth and form of nest architecture.

Estimation of end point foot clearance points from inertial sensor data.

PubMed

Santhiranayagam, Braveena K; Lai, Daniel T H; Begg, Rezaul K; Palaniswami, Marimuthu

2011-01-01

Foot clearance parameters provide useful insight into tripping risks during walking. This paper proposes a technique for the estimate of key foot clearance parameters using inertial sensor (accelerometers and gyroscopes) data. Fifteen features were extracted from raw inertial sensor measurements, and a regression model was used to estimate two key foot clearance parameters: First maximum vertical clearance (m x 1) after toe-off and the Minimum Toe Clearance (MTC) of the swing foot. Comparisons are made against measurements obtained using an optoelectronic motion capture system (Optotrak), at 4 different walking speeds. General Regression Neural Networks (GRNN) were used to estimate the desired parameters from the sensor features. Eight subjects foot clearance data were examined and a Leave-one-subject-out (LOSO) method was used to select the best model. The best average Root Mean Square Errors (RMSE) across all subjects obtained using all sensor features at the maximum speed for m x 1 was 5.32 mm and for MTC was 4.04 mm. Further application of a hill-climbing feature selection technique resulted in 0.54-21.93% improvement in RMSE and required fewer input features. The results demonstrated that using raw inertial sensor data with regression models and feature selection could accurately estimate key foot clearance parameters.

Agent-based model with multi-level herding for complex financial systems

NASA Astrophysics Data System (ADS)

Chen, Jun-Jie; Tan, Lei; Zheng, Bo

2015-02-01

In complex financial systems, the sector structure and volatility clustering are respectively important features of the spatial and temporal correlations. However, the microscopic generation mechanism of the sector structure is not yet understood. Especially, how to produce these two features in one model remains challenging. We introduce a novel interaction mechanism, i.e., the multi-level herding, in constructing an agent-based model to investigate the sector structure combined with volatility clustering. According to the previous market performance, agents trade in groups, and their herding behavior comprises the herding at stock, sector and market levels. Further, we propose methods to determine the key model parameters from historical market data, rather than from statistical fitting of the results. From the simulation, we obtain the sector structure and volatility clustering, as well as the eigenvalue distribution of the cross-correlation matrix, for the New York and Hong Kong stock exchanges. These properties are in agreement with the empirical ones. Our results quantitatively reveal that the multi-level herding is the microscopic generation mechanism of the sector structure, and provide new insight into the spatio-temporal interactions in financial systems at the microscopic level.

Agent-based model with multi-level herding for complex financial systems

PubMed Central

Chen, Jun-Jie; Tan, Lei; Zheng, Bo

2015-01-01

In complex financial systems, the sector structure and volatility clustering are respectively important features of the spatial and temporal correlations. However, the microscopic generation mechanism of the sector structure is not yet understood. Especially, how to produce these two features in one model remains challenging. We introduce a novel interaction mechanism, i.e., the multi-level herding, in constructing an agent-based model to investigate the sector structure combined with volatility clustering. According to the previous market performance, agents trade in groups, and their herding behavior comprises the herding at stock, sector and market levels. Further, we propose methods to determine the key model parameters from historical market data, rather than from statistical fitting of the results. From the simulation, we obtain the sector structure and volatility clustering, as well as the eigenvalue distribution of the cross-correlation matrix, for the New York and Hong Kong stock exchanges. These properties are in agreement with the empirical ones. Our results quantitatively reveal that the multi-level herding is the microscopic generation mechanism of the sector structure, and provide new insight into the spatio-temporal interactions in financial systems at the microscopic level. PMID:25669427

Symmetry-lowering lattice distortion at the spin reorientation in MnBi single crystals

DOE PAGES

McGuire, Michael A.; Cao, Huibo; Chakoumakos, Bryan C.; ...

2014-11-18

Here we report structural and physical properties determined by measurements on large single crystals of the anisotropic ferromagnet MnBi. The findings support the importance of magnetoelastic effects in this material. X-ray diffraction reveals a structural phase transition at the spin reorientation temperature T SR = 90 K. The distortion is driven by magneto-elastic coupling, and upon cooling transforms the structure from hexagonal to orthorhombic. Heat capacity measurements show a thermal anomaly at the crystallographic transition, which is suppressed rapidly by applied magnetic fields. Effects on the transport and anisotropic magnetic properties of the single crystals are also presented. Increasing anisotropymore » of the atomic displacement parameters for Bi with increasing temperature above T SR is revealed by neutron diffraction measurements. It is likely that this is directly related to the anisotropic thermal expansion in MnBi, which plays a key role in the spin reorientation and magnetocrystalline anisotropy. Finally, the identification of the true ground state crystal structure reported here may be important for future experimental and theoretical studies of this permanent magnet material, which have to date been performed and interpreted using only the high temperature structure.« less

Reconstructing Folding Energy Landscapes by Single-Molecule Force Spectroscopy

PubMed Central

Woodside, Michael T.; Block, Steven M.

2015-01-01

Folding may be described conceptually in terms of trajectories over a landscape of free energies corresponding to different molecular configurations. In practice, energy landscapes can be difficult to measure. Single-molecule force spectroscopy (SMFS), whereby structural changes are monitored in molecules subjected to controlled forces, has emerged as a powerful tool for probing energy landscapes. We summarize methods for reconstructing landscapes from force spectroscopy measurements under both equilibrium and nonequilibrium conditions. Other complementary, but technically less demanding, methods provide a model-dependent characterization of key features of the landscape. Once reconstructed, energy landscapes can be used to study critical folding parameters, such as the characteristic transition times required for structural changes and the effective diffusion coefficient setting the timescale for motions over the landscape. We also discuss issues that complicate measurement and interpretation, including the possibility of multiple states or pathways and the effects of projecting multiple dimensions onto a single coordinate. PMID:24895850

A putative siderophore-interacting protein from the marine bacterium Shewanella frigidimarina NCIMB 400: cloning, expression, purification, crystallization and X-ray diffraction analysis

PubMed Central

Trindade, Inês B.; Fonseca, Bruno M.; Matias, Pedro M.; Louro, Ricardo O.; Moe, Elin

2016-01-01

Siderophore-binding proteins (SIPs) perform a key role in iron acquisition in multiple organisms. In the genome of the marine bacterium Shewanella frigidimarina NCIMB 400, the gene tagged as SFRI_RS12295 encodes a protein from this family. Here, the cloning, expression, purification and crystallization of this protein are reported, together with its preliminary X-ray crystallographic analysis to 1.35 Å resolution. The SIP crystals belonged to the monoclinic space group P21, with unit-cell parameters a = 48.04, b = 78.31, c = 67.71 Å, α = 90, β = 99.94, γ = 90°, and are predicted to contain two molecules per asymmetric unit. Structure determination by molecular replacement and the use of previously determined ∼2 Å resolution SIP structures with ∼30% sequence identity as templates are ongoing. PMID:27599855

Chirality-controlled crystallization via screw dislocations.

PubMed

Sung, Baeckkyoung; de la Cotte, Alexis; Grelet, Eric

2018-04-11

Chirality plays an important role in science from enantiomeric separation in chemistry to chiral plasmonics in nanotechnology. However, the understanding of chirality amplification from chiral building blocks to ordered helical superstructures remains a challenge. Here, we demonstrate that topological defects, such as screw dislocations, can drive the chirality transfer from particle to supramolecular structure level during the crystallization process. By using a model system of chiral particles, which enables direct imaging of single particle incorporation into growing crystals, we show that the crystallization kinetic pathway is the key parameter for monitoring, via the defects, the chirality amplification of the crystalline structures from racemic to predominantly homohelical. We provide an explanation based on the interplay between geometrical frustration, racemization induced by thermal fluctuations, and particle chirality. Our results demonstrate that screw dislocations not only promote the growth, but also control the chiral morphology and therefore the functionality of crystalline states.

Anomalous Stretchable Conductivity Using an Engineered Tricot Weave.

PubMed

Lee, Yong-Hee; Kim, Yoonseob; Lee, Tae-Ik; Lee, Inhwa; Shin, Jaeho; Lee, Hyun Soo; Kim, Taek-Soo; Choi, Jang Wook

2015-12-22

Robust electric conduction under stretching motions is a key element in upcoming wearable electronic devices but is fundamentally very difficult to achieve because percolation pathways in conductive media are subject to collapse upon stretching. Here, we report that this fundamental challenge can be overcome by using a parameter uniquely available in textiles, namely a weaving structure. A textile structure alternately interwoven with inelastic and elastic yarns, achieved via a tricot weave, possesses excellent elasticity (strain up to 200%) in diagonal directions. When this textile is coated with conductive nanomaterials, proper textile engineering allows the textile to obtain an unprecedented 7-fold conductivity increase, with conductivity reaching 33,000 S cm(-1), even at 130% strain, due to enhanced interyarn contacts. The observed stretching conductivity can be described well using a modified 3D percolation theory that reflects the weaving effect and is also utilized for stretchable electronic interconnects and supercapacitors with high performance.

Structural and electrical properties of cobalt-doped 4H-SrMnO_{3-δ} perovskites obtained by the hydrothermal method

NASA Astrophysics Data System (ADS)

ben Rguiga, N.; Álvarez-Serrano, I.; López, M. L.; Chérif, W.; Alonso, J. A.

2018-02-01

A mild hydrothermal method was adapted to prepare the SrMn_{1-x}CoxO_{3-δ} (0 ≤ x ≤ 0.2) compounds. They showed hexagonal-4H perovskite-type structure with space group P63/mmc, and cell parameters a ˜ 5.45 and c ˜ 9.08 Å, as deduced from X-ray and neutron diffraction data. The mean atomic concentrations indicated global stoichiometries close to the nominal ones whereas electron microscopy analyses pointed out to heterogeneity at the nanoscale. The characterization of the electrical response by means of impedance measurements, suggested a semiconductor behavior mainly ascribed to bulk contributions. Relaxation and conduction processes were analyzed. The materials showed mixed electronic-ionic conduction above ˜ 400 K, when ionic conduction between intergrains becomes favored. Microstructural homogeneity was revealed as the key factor controlling the electrical response.