Strategies of offspring investment and dispersal in a spatially structured environment: a theoretical study using ants.

PubMed

Cronin, Adam L; Loeuille, Nicolas; Monnin, Thibaud

2016-02-05

Offspring investment strategies vary markedly between and within taxa, and much of this variation is thought to stem from the trade-off between offspring size and number. While producing larger offspring can increase their competitive ability, this often comes at a cost to their colonization ability. This competition-colonization trade-off (CCTO) is thought to be an important mechanism supporting coexistence of alternative strategies in a wide range of taxa. However, the relative importance of an alternative and possibly synergistic mechanism-spatial structuring of the environment-remains the topic of some debate. In this study, we explore the influence of these mechanisms on metacommunity structure using an agent-based model built around variable life-history traits. Our model combines explicit resource competition and spatial dynamics, allowing us to tease-apart the influence of, and explore the interaction between, the CCTO and the spatial structure of the environment. We test our model using two reproductive strategies which represent extremes of the CCTO and are common in ants. Our simulations show that colonisers outperform competitors in environments subject to higher temporal and spatial heterogeneity and are favoured when agents mature late and invest heavily in reproduction, whereas competitors dominate in low-disturbance, high resource environments and when maintenance costs are low. Varying life-history parameters has a marked influence on coexistence conditions and yields evolutionary stable strategies for both modes of reproduction. Nonetheless, we show that these strategies can coexist over a wide range of life-history and environmental parameter values, and that coexistence can in most cases be explained by a CCTO. By explicitly considering space, we are also able to demonstrate the importance of the interaction between dispersal and landscape structure. The CCTO permits species employing different reproductive strategies to coexist over a wide range of life-history and environmental parameters, and is likely to be an important factor in structuring ant communities. Our consideration of space highlights the importance of dispersal, which can limit the success of low-dispersers through kin competition, and enhance coexistence conditions for different strategies in spatially structured environments.

Optimization of output power and transmission efficiency of magnetically coupled resonance wireless power transfer system

NASA Astrophysics Data System (ADS)

Yan, Rongge; Guo, Xiaoting; Cao, Shaoqing; Zhang, Changgeng

2018-05-01

Magnetically coupled resonance (MCR) wireless power transfer (WPT) system is a promising technology in electric energy transmission. But, if its system parameters are designed unreasonably, output power and transmission efficiency will be low. Therefore, optimized parameters design of MCR WPT has important research value. In the MCR WPT system with designated coil structure, the main parameters affecting output power and transmission efficiency are the distance between the coils, the resonance frequency and the resistance of the load. Based on the established mathematical model and the differential evolution algorithm, the change of output power and transmission efficiency with parameters can be simulated. From the simulation results, it can be seen that output power and transmission efficiency of the two-coil MCR WPT system and four-coil one with designated coil structure are improved. The simulation results confirm the validity of the optimization method for MCR WPT system with designated coil structure.

Time-varying parameter models for catchments with land use change: the importance of model structure

NASA Astrophysics Data System (ADS)

Pathiraja, Sahani; Anghileri, Daniela; Burlando, Paolo; Sharma, Ashish; Marshall, Lucy; Moradkhani, Hamid

2018-05-01

Rapid population and economic growth in Southeast Asia has been accompanied by extensive land use change with consequent impacts on catchment hydrology. Modeling methodologies capable of handling changing land use conditions are therefore becoming ever more important and are receiving increasing attention from hydrologists. A recently developed data-assimilation-based framework that allows model parameters to vary through time in response to signals of change in observations is considered for a medium-sized catchment (2880 km2) in northern Vietnam experiencing substantial but gradual land cover change. We investigate the efficacy of the method as well as the importance of the chosen model structure in ensuring the success of a time-varying parameter method. The method was used with two lumped daily conceptual models (HBV and HyMOD) that gave good-quality streamflow predictions during pre-change conditions. Although both time-varying parameter models gave improved streamflow predictions under changed conditions compared to the time-invariant parameter model, persistent biases for low flows were apparent in the HyMOD case. It was found that HyMOD was not suited to representing the modified baseflow conditions, resulting in extreme and unrealistic time-varying parameter estimates. This work shows that the chosen model can be critical for ensuring the time-varying parameter framework successfully models streamflow under changing land cover conditions. It can also be used to determine whether land cover changes (and not just meteorological factors) contribute to the observed hydrologic changes in retrospective studies where the lack of a paired control catchment precludes such an assessment.

Single crystal growth of spin-ladder compound La8Cu7O19 by the travelling-solvent floating zone method

NASA Astrophysics Data System (ADS)

Mohan, A.; Singh, S.; Partzsch, S.; Zwiebler, M.; Geck, J.; Wurmehl, S.; Büchner, B.; Hess, C.

2016-08-01

Large single crystals of La8Cu7O19 have been grown using the travelling-solvent floating zone method. A rather high oxygen pressure of 9 bar in the growth chamber and a slow growth speed of 0.5 mm/h were among the most important parameters in stabilizing the growth of this incongruently melting compound. Interestingly, a novel growth scenario has been witnessed. The crystal structure of the grown La8Cu7O19 crystal has been analyzed using single crystal diffractometry to extract important structural parameters of this compound. We find that La8Cu7O19 crystallizes in a monoclinic structure with space group C 2 / c and has the lattice parameters a ≈ 13.83 Å, b ≈ 3.75 Å, c ≈ 34.59 Å, and β ≈ 99.33 °, in good agreement with the data obtained on polycrystalline samples in the literature. The magnetization shows a highly anisotropic behavior, and an anomaly at T ≈103 K.

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.

Implementation of radio frequency identification (RFID) sensors for monitoring of bridge deck corrosion in Missouri.

DOT National Transportation Integrated Search

2014-03-01

Chloride ion ingress is an important parameter that helps estimate the durability and service life of reinforced concrete (RC) and : prestress concrete (PC) structures, especially in those structures exposed to marine environments and salts applied d...

Topsoil structure stability in a restored floodplain: Impacts of fluctuating water levels, soil parameters and ecosystem engineers.

PubMed

Schomburg, A; Schilling, O S; Guenat, C; Schirmer, M; Le Bayon, R C; Brunner, P

2018-10-15

Ecosystem services provided by floodplains are strongly controlled by the structural stability of soils. The development of a stable structure in floodplain soils is affected by a complex and poorly understood interplay of hydrological, physico-chemical and biological processes. This paper aims at analysing relations between fluctuating groundwater levels, soil physico-chemical and biological parameters on soil structure stability in a restored floodplain. Water level fluctuations in the soil are modelled using a numerical surface-water-groundwater flow model and correlated to soil physico-chemical parameters and abundances of plants and earthworms. Causal relations and multiple interactions between the investigated parameters are tested through structural equation modelling (SEM). Fluctuating water levels in the soil did not directly affect the topsoil structure stability, but indirectly through affecting plant roots and soil parameters that in turn determine topsoil structure stability. These relations remain significant for mean annual days of complete and partial (>25%) water saturation. Ecosystem functioning of a restored floodplain might already be affected by the fluctuation of groundwater levels alone, and not only through complete flooding by surface water during a flood period. Surprisingly, abundances of earthworms did not show any relation to other variables in the SEM. These findings emphasise that earthworms have efficiently adapted to periodic stress and harsh environmental conditions. Variability of the topsoil structure stability is thus stronger driven by the influence of fluctuating water levels on plants than by the abundance of earthworms. This knowledge about the functional network of soil engineering organisms, soil parameters and fluctuating water levels and how they affect soil structural stability is of fundamental importance to define management strategies of near-natural or restored floodplains in the future. Copyright © 2018 Elsevier B.V. All rights reserved.

Complex structures of different CaFe2As2 samples

PubMed Central

Saparov, Bayrammurad; Cantoni, Claudia; Pan, Minghu; Hogan, Thomas C.; II, William Ratcliff; Wilson, Stephen D.; Fritsch, Katharina; Gaulin, Bruce D.; Sefat, Athena S.

2014-01-01

The interplay between magnetism and crystal structures in three CaFe2As2 samples is studied. For the nonmagnetic quenched crystals, different crystalline domains with varying lattice parameters are found, and three phases (orthorhombic, tetragonal, and collapsed tetragonal) coexist between TS = 95 K and 45 K. Annealing of the quenched crystals at 350°C leads to a strain relief through a large (~1.3%) expansion of the c-parameter and a small (~0.2%) contraction of the a-parameter, and to local ~0.2 Å displacements at the atomic-level. This annealing procedure results in the most homogeneous crystals for which the antiferromagnetic and orthorhombic phase transitions occur at TN/TS = 168(1) K. In the 700°C-annealed crystal, an intermediate strain regime takes place, with tetragonal and orthorhombic structural phases coexisting between 80 to 120 K. The origin of such strong shifts in the transition temperatures are tied to structural parameters. Importantly, with annealing, an increase in the Fe-As length leads to more localized Fe electrons and higher local magnetic moments on Fe ions. Synergistic contribution of other structural parameters, including a decrease in the Fe-Fe distance, and a dramatic increase of the c-parameter, which enhances the Fermi surface nesting in CaFe2As2, are also discussed. PMID:24844399

Analytic semigroups: Applications to inverse problems for flexible structures

NASA Technical Reports Server (NTRS)

Banks, H. T.; Rebnord, D. A.

1990-01-01

Convergence and stability results for least squares inverse problems involving systems described by analytic semigroups are presented. The practical importance of these results is demonstrated by application to several examples from problems of estimation of material parameters in flexible structures using accelerometer data.

Effect of Ga incorporation on morphology and defect structures evolution in VLS grown 1D In2O3 nanostructures

NASA Astrophysics Data System (ADS)

Ramos-Ramón, Jesús Alberto; Pal, Umapada; Cremades, Ana; Maestre, David

2018-05-01

Fabrication of 1D metal oxide nanostructures of controlled morphology and defect structure is of immense importance for their application in optoelectronics. While the morphology of these nanostructures depends primarily on growth parameters utilized in physical deposition processes, incorporation of foreign elements or dopants not only affects their morphology, but also affects their crystallinity and defect structure, which are the most important parameters for their device applications. Herein we report on the growth of highly crystalline 1D In2O3 nanostructures through vapor-liquid-solid process at relatively low temperature, and the effect of Ga incorporation on their morphology and defect structures. Through electron microscopy, Raman spectroscopy and cathodoluminescence spectroscopy techniques, we demonstrate that incorporation of Ga in In2O3 nanostructures not only strongly affects their morphology, but also generates new defect levels in the band gap of In2O3, shifting the overall emission of the nanostructures towards visible spectral range.

Determination of the band parameters of bulk 2H-MX2 (M = Mo, W; X = S, Se) by angle-resolved photoemission spectroscopy

PubMed Central

Kim, Beom Seo; Rhim, Jun-Won; Kim, Beomyoung; Kim, Changyoung; Park, Seung Ryong

2016-01-01

Monolayer MX2 (M = Mo, W; X = S, Se) has recently been drawn much attention due to their application possibility as well as the novel valley physics. On the other hand, it is also important to understand the electronic structures of bulk MX2 for material applications since it is very challenging to grow large size uniform and sustainable monolayer MX2. We performed angle-resolved photoemission spectroscopy and tight binding calculations to investigate the electronic structures of bulk 2H-MX2. We could extract all the important electronic band parameters for bulk 2H-MX2, including the band gap, direct band gap size at K (-K) point and spin splitting size. Upon comparing the parameters for bulk 2H-MX2 (our work) with mono- and multi-layer MX2 (published), we found that stacked layers, substrates for thin films, and carrier concentration significantly affect the parameters, especially the band gap size. The origin of such effect is discussed in terms of the screening effect. PMID:27805019

Bi-layer plate-type acoustic metamaterials with Willis coupling

NASA Astrophysics Data System (ADS)

Ma, Fuyin; Huang, Meng; Xu, Yicai; Wu, Jiu Hui

2018-01-01

Dynamic effective negative parameters are principal to the representation of the physical properties of metamaterials. In this paper, a bi-layer plate-type unit was proposed with both a negative mass density and a negative bulk modulus; moreover, through analysis of these bi-layer structures, some important problems about acoustic metamaterials were studied. First, dynamic effective mass densities and the bulk modulus of the bi-layer plate-type acoustic structure were clarified through both the direct and the retrieval methods, and, in addition, the intrinsic relationship between the sound transmission (absorption) characteristics and the effective parameters was analyzed. Furthermore, the properties of dynamic effective parameters for an asymmetric bi-layer acoustic structure were further considered through an analysis of experimental data, and the modified effective parameters were then obtained through consideration of the Willis coupling in the asymmetric passive system. In addition, by taking both the clamped and the periodic boundary conditions into consideration in the bi-layer plate-type acoustic system, new perspectives were presented for study on the effective parameters and sound insulation properties in the range below the cut-off frequency. The special acoustic properties established by these effective parameters could enrich our knowledge and provide guidance for the design and installation of acoustic metamaterial structures in future sound engineering practice.

Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII

PubMed Central

Kišonaitė, Miglė; Zubrienė, Asta; Čapkauskaitė, Edita; Smirnov, Alexey; Smirnovienė, Joana; Kairys, Visvaldas; Michailovienė, Vilma; Manakova, Elena; Gražulis, Saulius; Matulis, Daumantas

2014-01-01

The early stage of drug discovery is often based on selecting the highest affinity lead compound. To this end the structural and energetic characterization of the binding reaction is important. The binding energetics can be resolved into enthalpic and entropic contributions to the binding Gibbs free energy. Most compound binding reactions are coupled to the absorption or release of protons by the protein or the compound. A distinction between the observed and intrinsic parameters of the binding energetics requires the dissection of the protonation/deprotonation processes. Since only the intrinsic parameters can be correlated with molecular structural perturbations associated with complex formation, it is these parameters that are required for rational drug design. Carbonic anhydrase (CA) isoforms are important therapeutic targets to treat a range of disorders including glaucoma, obesity, epilepsy, and cancer. For effective treatment isoform-specific inhibitors are needed. In this work we investigated the binding and protonation energetics of sixteen [(2-pyrimidinylthio)acetyl]benzenesulfonamide CA inhibitors using isothermal titration calorimetry and fluorescent thermal shift assay. The compounds were built by combining four sulfonamide headgroups with four tailgroups yielding 16 compounds. Their intrinsic binding thermodynamics showed the limitations of the functional group energetic additivity approach used in fragment-based drug design, especially at the level of enthalpies and entropies of binding. Combined with high resolution crystal structural data correlations were drawn between the chemical functional groups on selected inhibitors and intrinsic thermodynamic parameters of CA-inhibitor complex formation. PMID:25493428

Capillary electrophoretic study of dibasic acids of different structures: Relation to separation of oxidative intermediates in remediation

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

Yu, Z.; Cocke, D.L.

Dicarboxylic acids are important in environmental chemistry because they are intermediates in oxidative processes involved in natural remediation and waste management processes such as oxidative detoxification and advanced oxidation. Capillary electrophoresis (CE), a promising technique for separating and analyzing these intermediates, has been used to examine a series of dibasic acids of different structures and conformations. This series includes malonic acid, succinic acid, glutaric acid, adipic acid, pimelic acid, maleic acid, fumaric acid, phthalic acid, and trans, trans-muconic acid. The CE parameters as well as structural variations (molecular structure and molecular isomers, buffer composition, pH, applied voltage, injection mode, current,more » temperature, and detection wavelength) that affect the separations and analytical results have been examined in this study. Those factors that affect the separation have been delineated. Among these parameters, the pH has been found to be the most important, which affects the double-layer of the capillary wall, the electro-osmotic flow and analyte mobility. The optimum pH for separating these dibasic acids, as well as the other parameters are discussed in detail and related to the development of methods for analyzing oxidation intermediates in oxidative waste management procedures.« less

Structure of complexes between aluminum chloride and other chlorides, 2: Alkali-(chloroaluminates). Gaseous complexes

NASA Technical Reports Server (NTRS)

Hargittai, M.

1980-01-01

The structural chemistry of complexes between aluminum chloride and other metal chlorides is important both for practice and theory. Condensed-phase as well as vapor-phase complexes are of interest. Structural information on such complexes is reviewed. The first emphasis is given to the molten state because of its practical importance. Aluminum chloride forms volatile complexes with other metal chlorides and these vapor-phase complexes are dealt with in the second part. Finally, the variations in molecular shape and geometrical parameters are summarized.

Identifiability and estimation of multiple transmission pathways in cholera and waterborne disease.

PubMed

Eisenberg, Marisa C; Robertson, Suzanne L; Tien, Joseph H

2013-05-07

Cholera and many waterborne diseases exhibit multiple characteristic timescales or pathways of infection, which can be modeled as direct and indirect transmission. A major public health issue for waterborne diseases involves understanding the modes of transmission in order to improve control and prevention strategies. An important epidemiological question is: given data for an outbreak, can we determine the role and relative importance of direct vs. environmental/waterborne routes of transmission? We examine whether parameters for a differential equation model of waterborne disease transmission dynamics can be identified, both in the ideal setting of noise-free data (structural identifiability) and in the more realistic setting in the presence of noise (practical identifiability). We used a differential algebra approach together with several numerical approaches, with a particular emphasis on identifiability of the transmission rates. To examine these issues in a practical public health context, we apply the model to a recent cholera outbreak in Angola (2006). Our results show that the model parameters-including both water and person-to-person transmission routes-are globally structurally identifiable, although they become unidentifiable when the environmental transmission timescale is fast. Even for water dynamics within the identifiable range, when noisy data are considered, only a combination of the water transmission parameters can practically be estimated. This makes the waterborne transmission parameters difficult to estimate, leading to inaccurate estimates of important epidemiological parameters such as the basic reproduction number (R0). However, measurements of pathogen persistence time in environmental water sources or measurements of pathogen concentration in the water can improve model identifiability and allow for more accurate estimation of waterborne transmission pathway parameters as well as R0. Parameter estimates for the Angola outbreak suggest that both transmission pathways are needed to explain the observed cholera dynamics. These results highlight the importance of incorporating environmental data when examining waterborne disease. Copyright © 2013 Elsevier Ltd. All rights reserved.

[Effects of land use structure on water quality in Xin'anjiang River].

PubMed

Cao, Fang-Fang; Li, Xue; Wang, Dong; Zhao, Yue; Wang, Yu-Qiu

2013-07-01

Take Xin'anjiang upstream watershed as a case study. Based on data of interpreting TM orthophoto images and water quality monitoring in May 2010, the land use map of Xin'anjiang River, which was categorized to cultivated land, forestland, grassland, water body, building site, was obtained. Using ArcGIS hydrological and spatial analysis function, Xin'anjiang River was divided into eight sub-watersheds, and its watershed land use structure was analyzed. The water quality parameters such as TN, TP, permanganate index, fecal coliform bacteria were monitored from Jan 2010 to Dec 2010. The relations between water quality and land use were analyzed. The results showed that TN and NH4(+) -N had a significant temporal variation: dry season > wet season > normal river flow period, but other parameters did not vary significantly. In the space, Yuliang and Pukou were the most serious pollution sites. Cultivated land, water body, building site had a positive impact on water quality parameters, while there were negative correlation between the forestland and grassland. Annually, cultivated land had the most significantly important effect on TN, NH4(+) -N and permanganate index, and grassland had the most significantly important effect on TP. Cultivated land had the most prominently important impact on water quality parameters in dry season and wet season. What's more, in the normal river flow, cultivated land, grassland and forestland had the most remarkably important influence on TN, TP and fecal coliform bacteria respectively.

Discovering Hidden Controlling Parameters using Data Analytics and Dimensional Analysis

NASA Astrophysics Data System (ADS)

Del Rosario, Zachary; Lee, Minyong; Iaccarino, Gianluca

2017-11-01

Dimensional Analysis is a powerful tool, one which takes a priori information and produces important simplifications. However, if this a priori information - the list of relevant parameters - is missing a relevant quantity, then the conclusions from Dimensional Analysis will be incorrect. In this work, we present novel conclusions in Dimensional Analysis, which provide a means to detect this failure mode of missing or hidden parameters. These results are based on a restated form of the Buckingham Pi theorem that reveals a ridge function structure underlying all dimensionless physical laws. We leverage this structure by constructing a hypothesis test based on sufficient dimension reduction, allowing for an experimental data-driven detection of hidden parameters. Both theory and examples will be presented, using classical turbulent pipe flow as the working example. Keywords: experimental techniques, dimensional analysis, lurking variables, hidden parameters, buckingham pi, data analysis. First author supported by the NSF GRFP under Grant Number DGE-114747.

Method of estimation of scanning system quality

NASA Astrophysics Data System (ADS)

Larkin, Eugene; Kotov, Vladislav; Kotova, Natalya; Privalov, Alexander

2018-04-01

Estimation of scanner parameters is an important part in developing electronic document management system. This paper suggests considering the scanner as a system that contains two main channels: a photoelectric conversion channel and a channel for measuring spatial coordinates of objects. Although both of channels consist of the same elements, the testing of their parameters should be executed separately. The special structure of the two-dimensional reference signal is offered for this purpose. In this structure, the fields for testing various parameters of the scanner are sp atially separated. Characteristics of the scanner are associated with the loss of information when a document is digitized. The methods to test grayscale transmitting ability, resolution and aberrations level are offered.

Differential effects of genetically distinct mechanisms of elevating amylose on barley starch characteristics.

PubMed

Regina, Ahmed; Blazek, Jaroslav; Gilbert, Elliot; Flanagan, Bernadine M; Gidley, Michael J; Cavanagh, Colin; Ral, Jean-Philippe; Larroque, Oscar; Bird, Anthony R; Li, Zhongyi; Morell, Matthew K

2012-07-01

The relationships between starch structure and functionality are important in underpinning the industrial and nutritional utilisation of starches. In this work, the relationships between the biosynthesis, structure, molecular organisation and functionality have been examined using a series of defined genotypes in barley with low (<20%), standard (20-30%), elevated (30-50%) and high (>50%) amylose starches. A range of techniques have been employed to determine starch physical features, higher order structure and functionality. The two genetic mechanisms for generating high amylose contents (down-regulation of branching enzymes and starch synthases, respectively) yielded starches with very different amylopectin structures but similar gelatinisation and viscosity properties driven by reduced granular order and increased amylose content. Principal components analysis (PCA) was used to elucidate the relationships between genotypes and starch molecular structure and functionality. Parameters associated with granule order (PC1) accounted for a large percentage of the variance (57%) and were closely related to amylose content. Parameters associated with amylopectin fine structure accounted for 18% of the variance but were less closely aligned to functionality parameters. Copyright © 2012 Elsevier Ltd. All rights reserved.

Spiral Galaxy Lensing: A Model with Twist

NASA Astrophysics Data System (ADS)

Bell, Steven R.; Ernst, Brett; Fancher, Sean; Keeton, Charles R.; Komanduru, Abi; Lundberg, Erik

2014-12-01

We propose a single galaxy gravitational lensing model with a mass density that has a spiral structure. Namely, we extend the arcsine gravitational lens (a truncated singular isothermal elliptical model), adding an additional parameter that controls the amount of spiraling in the structure of the mass density. An important feature of our model is that, even though the mass density is sophisticated, we succeed in integrating the deflection term in closed form using a Gauss hypergeometric function. When the spiraling parameter is set to zero, this reduces to the arcsine lens.

Simultaneous inversion of intrinsic and scattering attenuation parameters incorporating multiple scattering effect

NASA Astrophysics Data System (ADS)

Ogiso, M.

2017-12-01

Heterogeneous attenuation structure is important for not only understanding the earth structure and seismotectonics, but also ground motion prediction. Attenuation of ground motion in high frequency range is often characterized by the distribution of intrinsic and scattering attenuation parameters (intrinsic Q and scattering coefficient). From the viewpoint of ground motion prediction, both intrinsic and scattering attenuation affect the maximum amplitude of ground motion while scattering attenuation also affect the duration time of ground motion. Hence, estimation of both attenuation parameters will lead to sophisticate the ground motion prediction. In this study, we try to estimate both parameters in southwestern Japan in a tomographic manner. We will conduct envelope fitting of seismic coda since coda has sensitivity to both intrinsic attenuation and scattering coefficients. Recently, Takeuchi (2016) successfully calculated differential envelope when these parameters have fluctuations. We adopted his equations to calculate partial derivatives of these parameters since we did not need to assume homogeneous velocity structure. Matrix for inversion of structural parameters would become too huge to solve in a straightforward manner. Hence, we adopted ART-type Bayesian Reconstruction Method (Hirahara, 1998) to project the difference of envelopes to structural parameters iteratively. We conducted checkerboard reconstruction test. We assumed checkerboard pattern of 0.4 degree interval in horizontal direction and 20 km in depth direction. Reconstructed structures well reproduced the assumed pattern in shallower part while not in deeper part. Since the inversion kernel has large sensitivity around source and stations, resolution in deeper part would be limited due to the sparse distribution of earthquakes. To apply the inversion method which described above to actual waveforms, we have to correct the effects of source and site amplification term. We consider these issues to estimate the actual intrinsic and scattering structures of the target region.Acknowledgment We used the waveforms of Hi-net, NIED. This study was supported by the Earthquake Research Institute of the University of Tokyo cooperative research program.

Analysis of a piezoelectric bimorph plate with a central-attached mass as an energy harvester.

PubMed

Jiang, Shunong; Hu, Yuantai

2007-07-01

This article analyzes the performance of a piezoelectric energy harvester in the flexural mode for scavenging ambient vibration energy. The energy harvester consists of a piezoelectric bimorph plate with a central-attached mass. The linear piezoelectricity theory is applied to evaluate the performance dependence upon the physical and geometrical parameters of the model bimorph plate. The analytical solution for the flexural motion of the piezoelectric bimorph plate energy harvester shows that the output power density increases initially, reaches a maximum, then decreases monotonically with the increasing load impedance, which is normalized by a parameter that is a simple combination of the physical and geometrical parameters of the scavenging structure, the bimorph plate, and the frequency of the ambient vibration, underscoring the importance for the load circuit to have the impedance desirable by the scavenging structure. The numerical results illustrate the considerably enhanced performances by adjusting the physical and geometrical parameters of the scavenging structure.

Contribution of crop model structure, parameters and climate projections to uncertainty in climate change impact assessments.

PubMed

Tao, Fulu; Rötter, Reimund P; Palosuo, Taru; Gregorio Hernández Díaz-Ambrona, Carlos; Mínguez, M Inés; Semenov, Mikhail A; Kersebaum, Kurt Christian; Nendel, Claas; Specka, Xenia; Hoffmann, Holger; Ewert, Frank; Dambreville, Anaelle; Martre, Pierre; Rodríguez, Lucía; Ruiz-Ramos, Margarita; Gaiser, Thomas; Höhn, Jukka G; Salo, Tapio; Ferrise, Roberto; Bindi, Marco; Cammarano, Davide; Schulman, Alan H

2018-03-01

Climate change impact assessments are plagued with uncertainties from many sources, such as climate projections or the inadequacies in structure and parameters of the impact model. Previous studies tried to account for the uncertainty from one or two of these. Here, we developed a triple-ensemble probabilistic assessment using seven crop models, multiple sets of model parameters and eight contrasting climate projections together to comprehensively account for uncertainties from these three important sources. We demonstrated the approach in assessing climate change impact on barley growth and yield at Jokioinen, Finland in the Boreal climatic zone and Lleida, Spain in the Mediterranean climatic zone, for the 2050s. We further quantified and compared the contribution of crop model structure, crop model parameters and climate projections to the total variance of ensemble output using Analysis of Variance (ANOVA). Based on the triple-ensemble probabilistic assessment, the median of simulated yield change was -4% and +16%, and the probability of decreasing yield was 63% and 31% in the 2050s, at Jokioinen and Lleida, respectively, relative to 1981-2010. The contribution of crop model structure to the total variance of ensemble output was larger than that from downscaled climate projections and model parameters. The relative contribution of crop model parameters and downscaled climate projections to the total variance of ensemble output varied greatly among the seven crop models and between the two sites. The contribution of downscaled climate projections was on average larger than that of crop model parameters. This information on the uncertainty from different sources can be quite useful for model users to decide where to put the most effort when preparing or choosing models or parameters for impact analyses. We concluded that the triple-ensemble probabilistic approach that accounts for the uncertainties from multiple important sources provide more comprehensive information for quantifying uncertainties in climate change impact assessments as compared to the conventional approaches that are deterministic or only account for the uncertainties from one or two of the uncertainty sources. © 2017 John Wiley & Sons Ltd.

Exploring the Subtleties of Inverse Probability Weighting and Marginal Structural Models.

PubMed

Breskin, Alexander; Cole, Stephen R; Westreich, Daniel

2018-05-01

Since being introduced to epidemiology in 2000, marginal structural models have become a commonly used method for causal inference in a wide range of epidemiologic settings. In this brief report, we aim to explore three subtleties of marginal structural models. First, we distinguish marginal structural models from the inverse probability weighting estimator, and we emphasize that marginal structural models are not only for longitudinal exposures. Second, we explore the meaning of the word "marginal" in "marginal structural model." Finally, we show that the specification of a marginal structural model can have important implications for the interpretation of its parameters. Each of these concepts have important implications for the use and understanding of marginal structural models, and thus providing detailed explanations of them may lead to better practices for the field of epidemiology.

Sensitivity and Limitations of Structures from X-ray and Neutron-Based Diffraction Analyses of Transition Metal Oxide Lithium-Battery Electrodes

DOE PAGES

Liu, Hao; Liu, Haodong; Lapidus, Saul H.; ...

2017-06-21

Lithium transition metal oxides are an important class of electrode materials for lithium-ion batteries. Binary or ternary (transition) metal doping brings about new opportunities to improve the electrode’s performance and often leads to more complex stoichiometries and atomic structures than the archetypal LiCoO 2. Rietveld structural analyses of X-ray and neutron diffraction data is a widely-used approach for structural characterization of crystalline materials. But, different structural models and refinement approaches can lead to differing results, and some parameters can be difficult to quantify due to the inherent limitations of the data. Here, through the example of LiNi 0.8Co 0.15Al 0.05Omore » 2 (NCA), we demonstrated the sensitivity of various structural parameters in Rietveld structural analysis to different refinement approaches and structural models, and proposed an approach to reduce refinement uncertainties due to the inexact X-ray scattering factors of the constituent atoms within the lattice. Furthermore, this refinement approach was implemented for electrochemically-cycled NCA samples and yielded accurate structural parameters using only X-ray diffraction data. The present work provides the best practices for performing structural refinement of lithium transition metal oxides.« less

Sensitivity and Limitations of Structures from X-ray and Neutron-Based Diffraction Analyses of Transition Metal Oxide Lithium-Battery Electrodes

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

Liu, Hao; Liu, Haodong; Lapidus, Saul H.

Lithium transition metal oxides are an important class of electrode materials for lithium-ion batteries. Binary or ternary (transition) metal doping brings about new opportunities to improve the electrode’s performance and often leads to more complex stoichiometries and atomic structures than the archetypal LiCoO 2. Rietveld structural analyses of X-ray and neutron diffraction data is a widely-used approach for structural characterization of crystalline materials. But, different structural models and refinement approaches can lead to differing results, and some parameters can be difficult to quantify due to the inherent limitations of the data. Here, through the example of LiNi 0.8Co 0.15Al 0.05Omore » 2 (NCA), we demonstrated the sensitivity of various structural parameters in Rietveld structural analysis to different refinement approaches and structural models, and proposed an approach to reduce refinement uncertainties due to the inexact X-ray scattering factors of the constituent atoms within the lattice. Furthermore, this refinement approach was implemented for electrochemically-cycled NCA samples and yielded accurate structural parameters using only X-ray diffraction data. The present work provides the best practices for performing structural refinement of lithium transition metal oxides.« less

Accounting hierarchical heterogeneity of rock during its working off by explosive methods

NASA Astrophysics Data System (ADS)

Hachay, Olga; Khachay, Oleg

2017-04-01

First the phenomenon of zonal disintegration of rocks around excavations have been described and published as a discovery. Questions of structures formation are related to the fundamental problems of the natural sciences and the study of the structural appearance is one of the most important purposes of scientific knowledge. In real systems, considered in physics, it had been found spatial and temporal structures. The temporal structures are inseparable from the dynamics of the system, here it are particularly important principles of pointedness and causality. Formation of structures by irreversible processes is associated with a qualitative leap when it reaches the critical parameters. Self organization is a supercritical phenomenon when the system parameters exceed their critical values. When the system deviates greatly from its equilibrium, it's state variables satisfy the nonlinear equations. Non linearity is an important and common feature of the processes taking place far from equilibrium. By that the supercritical output of entropy is only possible if there is an unusual, special internal structure of the system. This means that self-organization is not a universal property of matter; it exists in certain internal and external conditions and is not associated with a particular class of substances. So, there are two classes of irreversible processes: 1.Destroying of the structure near the equilibrium position that is a universal property of systems under arbitrary conditions. 2. Occuring structures far from the equilibrium position under the conditions that the system is open and has a non-linear internal dynamics and its external parameters have supercritical parameters. Prigogine called them dissipative structures. The study of the morphology and dynamics of the migration of these zones is of particular importance when developing deep deposits, complicated by, dynamically events as rock bursts. Important tools for this study are the geophysical surveys. Because the information about the structure and state of the environment can be obtained from the geophysical data by interpreting them in frames of the model, which is an approximation to the real environment, therefore you must select it from the class of physically and geologically reasonable. For a description of the geological environment in the form of a rock massif with its natural and technogenic heterogeneity we should use more adequate description as is a discrete model of the environment in the form of a piece wise non-homogeneous block media with embedded heterogeneities of lower rank than the block size . This nesting can be traced back several times, ie, changing the scale of the study, we see that the heterogeneity of lower rank now appear as blocks for the irregularities of the next rank. The simple average of the measured geophysical parameters can lead to a distorted view of the structure of the environment and its evolution. The Institute of Geophysics, UB RAS has developed a hardware-methodological and interpretative system for studying the structure and state of complex geological environment, which has the potential instability and the ability to rebuild the hierarchy structure with significant external influence. The basis of this complex is the developed 3-D technique planshet electromagnetic induction studies in frequency geometrical variant, resting on one side on the interpretation software system for 3-D alternating electromagnetic fields, and on the other hand on developed by Ph.D. A.I.Chelovechkov device for carrying out the inductive research. On the basis of this technology the active monitoring of the structure and state of the rock massif inside the mines of different material composition can be provided, it can be carried out to detect short-term precursors of strong dynamic phenomena according to the electromagnetic induction monitoring. There are developed algorithms for modeling of electromagnetic fields in hierarchic heterogeneous media.

Rapid condition assessment of structural condition after a blast using state-space identification

NASA Astrophysics Data System (ADS)

Eskew, Edward; Jang, Shinae

2015-04-01

After a blast event, it is important to quickly quantify the structural damage for emergency operations. In order improve the speed, accuracy, and efficiency of condition assessments after a blast, the authors have previously performed work to develop a methodology for rapid assessment of the structural condition of a building after a blast. The method involved determining a post-event equivalent stiffness matrix using vibration measurements and a finite element (FE) model. A structural model was built for the damaged structure based on the equivalent stiffness, and inter-story drifts from the blast are determined using numerical simulations, with forces determined from the blast parameters. The inter-story drifts are then compared to blast design conditions to assess the structures damage. This method still involved engineering judgment in terms of determining significant frequencies, which can lead to error, especially with noisy measurements. In an effort to improve accuracy and automate the process, this paper will look into a similar method of rapid condition assessment using subspace state-space identification. The accuracy of the method will be tested using a benchmark structural model, as well as experimental testing. The blast damage assessments will be validated using pressure-impulse (P-I) diagrams, which present the condition limits across blast parameters. Comparisons between P-I diagrams generated using the true system parameters and equivalent parameters will show the accuracy of the rapid condition based blast assessments.

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

Roy, Surajit; Ladpli, Purim; Chang, Fu-Kuo

Accurate interpretation of in-situ piezoelectric sensor signals is a challenging task. This article presents the development of a numerical compensation model based on physical insight to address the influence of structural loads on piezo-sensor signals. The model requires knowledge of in-situ strain and temperature distribution in a structure while acquiring sensor signals. The parameters of the numerical model are obtained using experiments on flat aluminum plate under uniaxial tensile loading. It is shown that the model parameters obtained experimentally can be used for different structures, and sensor layout. Furthermore, the combined effects of load and temperature on the piezo-sensor responsemore » are also investigated and it is observed that both of these factors have a coupled effect on the sensor signals. It is proposed to obtain compensation model parameters under a range of operating temperatures to address this coupling effect. An important outcome of this study is a new load monitoring concept using in-situ piezoelectric sensor signals to track changes in the load paths in a structure.« less

On robust parameter estimation in brain-computer interfacing

NASA Astrophysics Data System (ADS)

Samek, Wojciech; Nakajima, Shinichi; Kawanabe, Motoaki; Müller, Klaus-Robert

2017-12-01

Objective. The reliable estimation of parameters such as mean or covariance matrix from noisy and high-dimensional observations is a prerequisite for successful application of signal processing and machine learning algorithms in brain-computer interfacing (BCI). This challenging task becomes significantly more difficult if the data set contains outliers, e.g. due to subject movements, eye blinks or loose electrodes, as they may heavily bias the estimation and the subsequent statistical analysis. Although various robust estimators have been developed to tackle the outlier problem, they ignore important structural information in the data and thus may not be optimal. Typical structural elements in BCI data are the trials consisting of a few hundred EEG samples and indicating the start and end of a task. Approach. This work discusses the parameter estimation problem in BCI and introduces a novel hierarchical view on robustness which naturally comprises different types of outlierness occurring in structured data. Furthermore, the class of minimum divergence estimators is reviewed and a robust mean and covariance estimator for structured data is derived and evaluated with simulations and on a benchmark data set. Main results. The results show that state-of-the-art BCI algorithms benefit from robustly estimated parameters. Significance. Since parameter estimation is an integral part of various machine learning algorithms, the presented techniques are applicable to many problems beyond BCI.

Web-ware bioinformatical analysis and structure modelling of N-terminus of human multisynthetase complex auxiliary component protein p43.

PubMed

Deineko, Viktor

2006-01-01

Human multisynthetase complex auxiliary component, protein p43 is an endothelial monocyte-activating polypeptide II precursor. In this study, comprehensive sequence analysis of N-terminus has been performed to identify structural domains, motifs, sites of post-translation modification and other functionally important parameters. The spatial structure model of full-chain protein p43 is obtained.

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

Characterisation of different polymorphs of tris(8-hydroxyquinolinato)aluminium(III) using solid-state NMR and DFT calculations

PubMed Central

Goswami, Mithun; Nayak, Pabitra K; Periasamy, N; Madhu, PK

2009-01-01

Background Organic light emitting devices (OLED) are becoming important and characterisation of them, in terms of structure, charge distribution, and intermolecular interactions, is important. Tris(8-hydroxyquinolinato)-aluminium(III), known as Alq3, an organomettalic complex has become a reference material of great importance in OLED. It is important to elucidate the structural details of Alq3 in its various isomeric and solvated forms. Solid-state nuclear magnetic resonance (NMR) is a useful tool for this which can also complement the information obtained with X-ray diffraction studies. Results We report here 27Al one-dimensional (1D) and two-dimensional (2D) multiple-quantum magic-angle spinning (MQMAS) NMR studies of the meridional (α-phase) and the facial (δ-phase) isomeric forms of Alq3. Quadrupolar parameters are estimated from the 1D spectra under MAS and anisotropic slices of the 2D spectra and also calculated using DFT (density functional theory) quantum-chemical calculations. We have also studied solvated phase of Alq3 containing ethanol in its lattice. We show that both the XRD patterns and the quadrupolar parameters of the solvated phase are different from both the α-phase and the δ-phase, although the fluorescence emission shows no substantial difference between the α-phase and the solvated phase. Moreover, we have shown that after the removal of ethanol from the matrix the solvated Alq3 has similar XRD patterns and quadrupolar parameters to that of the α-phase. Conclusion The 2D MQMAS experiments have shown that all the different modifications of Alq3 have 27Al in single unique crystallographic site. The quadrupolar parameters predicted using the DFT calculation under the isodensity polarisable continuum model resemble closely the experimentally obtained values. The solvated phase of Alq3 containing ethanol has structural difference from the α-phase of Alq3 (containing meridional isomer) from the solid-state NMR studies. Solid-state NMR can hence be used as an effective complementary tool to XRD for characterisation and structural elucidation. PMID:19900275

Characterisation of different polymorphs of tris(8-hydroxyquinolinato)aluminium(III) using solid-state NMR and DFT calculations.

PubMed

Goswami, Mithun; Nayak, Pabitra K; Periasamy, N; Madhu, P K

2009-11-09

Organic light emitting devices (OLED) are becoming important and characterisation of them, in terms of structure, charge distribution, and intermolecular interactions, is important. Tris(8-hydroxyquinolinato)-aluminium(III), known as Alq3, an organomettalic complex has become a reference material of great importance in OLED. It is important to elucidate the structural details of Alq3 in its various isomeric and solvated forms. Solid-state nuclear magnetic resonance (NMR) is a useful tool for this which can also complement the information obtained with X-ray diffraction studies. We report here 27Al one-dimensional (1D) and two-dimensional (2D) multiple-quantum magic-angle spinning (MQMAS) NMR studies of the meridional (alpha-phase) and the facial (delta-phase) isomeric forms of Alq3. Quadrupolar parameters are estimated from the 1D spectra under MAS and anisotropic slices of the 2D spectra and also calculated using DFT (density functional theory) quantum-chemical calculations. We have also studied solvated phase of Alq3 containing ethanol in its lattice. We show that both the XRD patterns and the quadrupolar parameters of the solvated phase are different from both the alpha-phase and the delta-phase, although the fluorescence emission shows no substantial difference between the alpha-phase and the solvated phase. Moreover, we have shown that after the removal of ethanol from the matrix the solvated Alq3 has similar XRD patterns and quadrupolar parameters to that of the alpha-phase. The 2D MQMAS experiments have shown that all the different modifications of Alq3 have 27Al in single unique crystallographic site. The quadrupolar parameters predicted using the DFT calculation under the isodensity polarisable continuum model resemble closely the experimentally obtained values. The solvated phase of Alq3 containing ethanol has structural difference from the alpha-phase of Alq3 (containing meridional isomer) from the solid-state NMR studies. Solid-state NMR can hence be used as an effective complementary tool to XRD for characterisation and structural elucidation.

CTER-rapid estimation of CTF parameters with error assessment.

PubMed

Penczek, Pawel A; Fang, Jia; Li, Xueming; Cheng, Yifan; Loerke, Justus; Spahn, Christian M T

2014-05-01

In structural electron microscopy, the accurate estimation of the Contrast Transfer Function (CTF) parameters, particularly defocus and astigmatism, is of utmost importance for both initial evaluation of micrograph quality and for subsequent structure determination. Due to increases in the rate of data collection on modern microscopes equipped with new generation cameras, it is also important that the CTF estimation can be done rapidly and with minimal user intervention. Finally, in order to minimize the necessity for manual screening of the micrographs by a user it is necessary to provide an assessment of the errors of fitted parameters values. In this work we introduce CTER, a CTF parameters estimation method distinguished by its computational efficiency. The efficiency of the method makes it suitable for high-throughput EM data collection, and enables the use of a statistical resampling technique, bootstrap, that yields standard deviations of estimated defocus and astigmatism amplitude and angle, thus facilitating the automation of the process of screening out inferior micrograph data. Furthermore, CTER also outputs the spatial frequency limit imposed by reciprocal space aliasing of the discrete form of the CTF and the finite window size. We demonstrate the efficiency and accuracy of CTER using a data set collected on a 300kV Tecnai Polara (FEI) using the K2 Summit DED camera in super-resolution counting mode. Using CTER we obtained a structure of the 80S ribosome whose large subunit had a resolution of 4.03Å without, and 3.85Å with, inclusion of astigmatism parameters. Copyright © 2014 Elsevier B.V. All rights reserved.

Structural optimization of the Halbach array PM rim thrust motor

NASA Astrophysics Data System (ADS)

Cao, Haichuan; Chen, Weihu

2018-05-01

The Rim-driven Thruster (RDT) integrates the thrust motor and the propeller, which can effectively reduce the space occupied by the propulsion system, improve the propulsion efficiency, and thus has important research value and broad market prospects. The Halbach Permanent Magnet Rim Thrust Motor (HPMRTM) can improve the torque density of the propulsion motor by utilizing the unilateral magnetic field of the Halbach array. In this paper, the numerical method is used to study the electromagnetic performance of the motor under different Halbach array parameters. The relationship between motor parameters such as air-gap flux density, electromagnetic torque and Halbach array parameters is obtained, and then the motor structure is optimized. By comparing with Common Permanent Magnet RTM, the advantages of HPMRTM are verified.

Residual Stress Measurement and Calibration for A7N01 Aluminum Alloy Welded Joints by Using Longitudinal Critically Refracted ( LCR) Wave Transmission Method

NASA Astrophysics Data System (ADS)

Zhu, Qimeng; Chen, Jia; Gou, Guoqing; Chen, Hui; Li, Peng; Gao, W.

2016-10-01

Residual stress measurement and control are highly important for the safety of structures of high-speed trains, which is critical for the structure design. The longitudinal critically refracted wave technology is the most widely used method in measuring residual stress with ultrasonic method, but its accuracy is strongly related to the test parameters, namely the flight time at the free-stress condition ( t 0), stress coefficient ( K), and initial stress (σ0) of the measured materials. The difference of microstructure in the weld zone, heat affected zone, and base metal (BM) results in the divergence of experimental parameters. However, the majority of researchers use the BM parameters to determine the residual stress in other zones and ignore the initial stress (σ0) in calibration samples. Therefore, the measured residual stress in different zones is often high in errors and may result in the miscalculation of the safe design of important structures. A serious problem in the ultrasonic estimation of residual stresses requires separation between the microstructure and the acoustoelastic effects. In this paper, the effects of initial stress and microstructure on stress coefficient K and flight time t 0 at free-stress conditions have been studied. The residual stress with or without different corrections was investigated. The results indicated that the residual stresses obtained with correction are more accurate for structure design.

Impact of influent data frequency and model structure on the quality of WWTP model calibration and uncertainty.

PubMed

Cierkens, Katrijn; Plano, Salvatore; Benedetti, Lorenzo; Weijers, Stefan; de Jonge, Jarno; Nopens, Ingmar

2012-01-01

Application of activated sludge models (ASMs) to full-scale wastewater treatment plants (WWTPs) is still hampered by the problem of model calibration of these over-parameterised models. This either requires expert knowledge or global methods that explore a large parameter space. However, a better balance in structure between the submodels (ASM, hydraulic, aeration, etc.) and improved quality of influent data result in much smaller calibration efforts. In this contribution, a methodology is proposed that links data frequency and model structure to calibration quality and output uncertainty. It is composed of defining the model structure, the input data, an automated calibration, confidence interval computation and uncertainty propagation to the model output. Apart from the last step, the methodology is applied to an existing WWTP using three models differing only in the aeration submodel. A sensitivity analysis was performed on all models, allowing the ranking of the most important parameters to select in the subsequent calibration step. The aeration submodel proved very important to get good NH(4) predictions. Finally, the impact of data frequency was explored. Lowering the frequency resulted in larger deviations of parameter estimates from their default values and larger confidence intervals. Autocorrelation due to high frequency calibration data has an opposite effect on the confidence intervals. The proposed methodology opens doors to facilitate and improve calibration efforts and to design measurement campaigns.

On a fast calculation of structure factors at a subatomic resolution.

PubMed

Afonine, P V; Urzhumtsev, A

2004-01-01

In the last decade, the progress of protein crystallography allowed several protein structures to be solved at a resolution higher than 0.9 A. Such studies provide researchers with important new information reflecting very fine structural details. The signal from these details is very weak with respect to that corresponding to the whole structure. Its analysis requires high-quality data, which previously were available only for crystals of small molecules, and a high accuracy of calculations. The calculation of structure factors using direct formulae, traditional for 'small-molecule' crystallography, allows a relatively simple accuracy control. For macromolecular crystals, diffraction data sets at a subatomic resolution contain hundreds of thousands of reflections, and the number of parameters used to describe the corresponding models may reach the same order. Therefore, the direct way of calculating structure factors becomes very time expensive when applied to large molecules. These problems of high accuracy and computational efficiency require a re-examination of computer tools and algorithms. The calculation of model structure factors through an intermediate generation of an electron density [Sayre (1951). Acta Cryst. 4, 362-367; Ten Eyck (1977). Acta Cryst. A33, 486-492] may be much more computationally efficient, but contains some parameters (grid step, 'effective' atom radii etc.) whose influence on the accuracy of the calculation is not straightforward. At the same time, the choice of parameters within safety margins that largely ensure a sufficient accuracy may result in a significant loss of the CPU time, making it close to the time for the direct-formulae calculations. The impact of the different parameters on the computer efficiency of structure-factor calculation is studied. It is shown that an appropriate choice of these parameters allows the structure factors to be obtained with a high accuracy and in a significantly shorter time than that required when using the direct formulae. Practical algorithms for the optimal choice of the parameters are suggested.

The scatter of mechanical values of carbon fiber composites and its causes. [statistical values of strength

NASA Technical Reports Server (NTRS)

Roth, S.

1979-01-01

The scatter of experimental data obtained in an investigation of the parameters of structural components was investigated. Strength parameters which are determined by the resin or the adhesion between fiber and resin were included. The statistical characteristics of the mechanical parameters of carbon fiber composites, and the possibilities which exist to reduce this scatter were emphasized. It is found that quality control tests of fiber and resin are important for such a reduction.

Invited review article: Photopyroelectric calorimeter for the simultaneous thermal, optical, and structural characterization of samples over phase transitions.

PubMed

Zammit, U; Marinelli, M; Mercuri, F; Paoloni, S; Scudieri, F

2011-12-01

The study of thermophysical properties is of great importance in several scientific fields. Among them, the heat capacity, for example, is related to the microscopic structure of condensed matter and plays an important role in monitoring the changes in the energy content of a system. Calorimetric techniques are thus of fundamental importance for characterizing physical systems, particularly in the vicinity of phase transitions where energy fluctuations can play an important role. In this work, the ability of the Photopyroelctric calorimetry to study the versus temperature behaviour of the specific heat and of the other thermal parameters in the vicinity of phase transitions is outlined. The working principle, the theoretical basis, the experimental configurations, and the advantages of this technique, with respect to the more conventional ones, have been described and discussed in detail. The integrations in the calorimetric setup giving the possibility to perform, simultaneously with the calorimetric studies, complementary kind of characterizations of optical, structural, and electrical properties are also described. A review of the results obtained with this technique, in all its possible configurations, for the high temperature resolution studies of the thermal parameters over several kinds of phase transitions occurring in different systems is presented and discussed.

Static network analysis of a pork supply chain in Northern Germany-Characterisation of the potential spread of infectious diseases via animal movements.

PubMed

Büttner, Kathrin; Krieter, Joachim; Traulsen, Arne; Traulsen, Imke

2013-07-01

Transport of live animals is a major risk factor in the spread of infectious diseases between holdings. The present study analysed the pork supply chain of a producer community in Northern Germany. The structure of trade networks can be characterised by carrying out a network analysis. To identify holdings with a central position in this directed network of pig production, several parameters describing these properties were measured (in-degree, out-degree, ingoing and outgoing infection chain, betweenness centrality and ingoing and outgoing closeness centrality). To obtain the importance of the different holding types (multiplier, farrowing farms, finishing farms and farrow-to-finishing farms) within the pyramidal structure of the pork supply chain, centrality parameters were calculated for the entire network as well as for the individual holding types. Using these centrality parameters, two types of holdings could be identified. In the network studied, finishing and farrow-to-finishing farms were more likely to be infected due to the high number of ingoing trade contacts. Due to the high number of outgoing trade contacts multipliers and farrowing farms had an increased risk to spread a disease to other holdings. However, the results of the centrality parameters degree and infection chain were not always consistent, such that the indirect trade contacts should be taken into consideration to understand the real importance of a holding in spreading or contracting an infection. Furthermore, all calculated parameters showed a highly right-skewed distribution. Networks with such a degree distribution are considered to be highly resistant concerning the random removal of nodes. But by strategic removal of the most central holdings, e.g. by trade restrictions or selective vaccination or culling, the network structure can be changed efficiently and thus decompose into fragments. Such a fragmentation of the trade networks is of particular importance from an epidemiological perspective. Copyright © 2013 Elsevier B.V. All rights reserved.

Improving Measurement of Forest Structural Parameters by Co-Registering of High Resolution Aerial Imagery and Low Density LiDAR Data

PubMed Central

Huang, Huabing; Gong, Peng; Cheng, Xiao; Clinton, Nick; Li, Zengyuan

2009-01-01

Forest structural parameters, such as tree height and crown width, are indispensable for evaluating forest biomass or forest volume. LiDAR is a revolutionary technology for measurement of forest structural parameters, however, the accuracy of crown width extraction is not satisfactory when using a low density LiDAR, especially in high canopy cover forest. We used high resolution aerial imagery with a low density LiDAR system to overcome this shortcoming. A morphological filtering was used to generate a DEM (Digital Elevation Model) and a CHM (Canopy Height Model) from LiDAR data. The LiDAR camera image is matched to the aerial image with an automated keypoints search algorithm. As a result, a high registration accuracy of 0.5 pixels was obtained. A local maximum filter, watershed segmentation, and object-oriented image segmentation are used to obtain tree height and crown width. Results indicate that the camera data collected by the integrated LiDAR system plays an important role in registration with aerial imagery. The synthesis with aerial imagery increases the accuracy of forest structural parameter extraction when compared to only using the low density LiDAR data. PMID:22573971

Significance of modeling internal damping in the control of structures

NASA Technical Reports Server (NTRS)

Banks, H. T.; Inman, D. J.

1992-01-01

Several simple systems are examined to illustrate the importance of the estimation of damping parameters in closed-loop system performance and stability. The negative effects of unmodeled damping are particularly pronounced in systems that do not use collocated sensors and actuators. An example is considered for which even the actuators (a tip jet nozzle and flexible hose) for a simple beam produce significant damping which, if ignored, results in a model that cannot yield a reasonable time response using physically meaningful parameter values. It is concluded that correct damping modeling is essential in structure control.

Statistical inference to advance network models in epidemiology.

PubMed

Welch, David; Bansal, Shweta; Hunter, David R

2011-03-01

Contact networks are playing an increasingly important role in the study of epidemiology. Most of the existing work in this area has focused on considering the effect of underlying network structure on epidemic dynamics by using tools from probability theory and computer simulation. This work has provided much insight on the role that heterogeneity in host contact patterns plays on infectious disease dynamics. Despite the important understanding afforded by the probability and simulation paradigm, this approach does not directly address important questions about the structure of contact networks such as what is the best network model for a particular mode of disease transmission, how parameter values of a given model should be estimated, or how precisely the data allow us to estimate these parameter values. We argue that these questions are best answered within a statistical framework and discuss the role of statistical inference in estimating contact networks from epidemiological data. Copyright © 2011 Elsevier B.V. All rights reserved.

Predicting future conflict between team-members with parameter-free models of social networks

NASA Astrophysics Data System (ADS)

Rovira-Asenjo, Núria; Gumí, Tània; Sales-Pardo, Marta; Guimerà, Roger

2013-06-01

Despite the well-documented benefits of working in teams, teamwork also results in communication, coordination and management costs, and may lead to personal conflict between team members. In a context where teams play an increasingly important role, it is of major importance to understand conflict and to develop diagnostic tools to avert it. Here, we investigate empirically whether it is possible to quantitatively predict future conflict in small teams using parameter-free models of social network structure. We analyze data of conflict appearance and resolution between 86 team members in 16 small teams, all working in a real project for nine consecutive months. We find that group-based models of complex networks successfully anticipate conflict in small teams whereas micro-based models of structural balance, which have been traditionally used to model conflict, do not.

[Design of Complex Cavity Structure in Air Route System of Automated Peritoneal Dialysis Machine].

PubMed

Quan, Xiaoliang

2017-07-30

This paper introduced problems about Automated Peritoneal Dialysis machine(APD) that the lack of technical issues such as the structural design of the complex cavities. To study the flow characteristics of this special structure, the application of ANSYS CFX software is used with k-ε turbulence model as the theoretical basis of fluid mechanics. The numerical simulation of flow field simulation result in the internal model can be gotten after the complex structure model is imported into ANSYS CFX module. Then, it will present the distribution of complex cavities inside the flow field and the flow characteristics parameter, which will provide an important reference design for APD design.

Additive-manufactured sandwich lattice structures: A numerical and experimental investigation

NASA Astrophysics Data System (ADS)

Fergani, Omar; Tronvoll, Sigmund; Brøtan, Vegard; Welo, Torgeir; Sørby, Knut

2017-10-01

The utilization of additive-manufactured lattice structures in engineered products is becoming more and more common as the competitiveness of AM as a production technology has increased during the past several years. Lattice structures may enable important weight reductions as well as open opportunities to build products with customized functional properties, thanks to the flexibility of AM for producing complex geometrical configurations. One of the most critical aspects related to taking AM into new application areas—such as safety critical products—is currently the limited understanding of the mechanical behavior of sandwich-based lattice structure mechanical under static and dynamic loading. In this study, we evaluate manufacturability of lattice structures and the impact of AM processing parameters on the structural behavior of this type of sandwich structures. For this purpose, we conducted static compression testing for a variety of geometry and manufacturing parameters. Further, the study discusses a numerical model capable of predicting the behavior of different lattice structure. A reasonably good correlation between the experimental and numerical results was observed.

Detection of damage in welded structure using experimental modal data

NASA Astrophysics Data System (ADS)

Abu Husain, N.; Ouyang, H.

2011-07-01

A typical automotive structure could contain thousands of spot weld joints that contribute significantly to the vehicle's structural stiffness and dynamic characteristics. However, some of these joints may be imperfect or even absent during the manufacturing process and they are also highly susceptible to damage due to operational and environmental conditions during the vehicle lifetime. Therefore, early detection and estimation of damage are important so necessary actions can be taken to avoid further problems. Changes in physical parameters due to existence of damage in a structure often leads to alteration of vibration modes; thus demonstrating the dependency between the vibration characteristics and the physical properties of structures. A sensitivity-based model updating method, performed using a combination of MATLAB and NASTRAN, has been selected for the purpose of this work. The updating procedure is regarded as parameter identification which aims to bring the numerical prediction to be as closely as possible to the measured natural frequencies and mode shapes data of the damaged structure in order to identify the damage parameters (characterised by the reductions in the Young's modulus of the weld patches to indicate the loss of material/stiffness at the damage region).

The influence of zeolites fly ash bead/TiO2 composite material surface morphologies on their adsorption and photocatalytic performance

NASA Astrophysics Data System (ADS)

Yang, Lu; Wang, Fazhou; Hakki, Amer; Macphee, Donald E.; Liu, Peng; Hu, Shuguang

2017-01-01

A low cost zeolite fly ash bead/TiO2 (ZFABT) composite materials with various surface structure features were prepared for describing those structures importance on TiO2 coating, adsorbability and photocatalytic performances. The results indicated that fly ash bead (FAB) surface was significantly altered by the precipitation/growth of secondary zeolite phases after alkali activation, which generates abundant open pores and stacked petal-liked spherical beads (∼2 μm, Sodalite zeolites). More importantly, this porosity increases as activation time was increased from 2 h to 12 h, through the precipitation of sodalite and then Na-P1 (lamellar crystals) and Na-X (octahedral crystals) zeolite structures. Compared to those of unsupported TiO2 or inactivated support/TiO2 samples, all of ZFABT samples exhibited a higher adsorption capacity and photocatalytic efficiency for RhB removal. However, adsorption is not only one factor to influence TiO2 surface reaction, the intraparticle diffusion rate of rhodamine B (RhB) molecules, and light penetration are also important parameters. Alkali activated 4 h ZFABT sample exhibited the highest photocatalytic activity, indicating its pore structure provided a better balance for those parameters to achieve a synergistic adsorption/photocatalytic process. The kinetics model suggested its high intraparticle diffusion rate allowed for more RhB molecules to easily reach the reaction surface, which is more important for high efficiency photocatalysis.

Remarkable features in lattice-parameter ratios of crystals. II. Monoclinic and triclinic crystals.

PubMed

de Gelder, R; Janner, A

2005-06-01

The frequency distributions of monoclinic crystals as a function of the lattice-parameter ratios resemble the corresponding ones of orthorhombic crystals: an exponential component, with more or less pronounced sharp peaks, with in general the most important peak at the ratio value 1. In addition, the distribution as a function of the monoclinic angle beta has a sharp peak at 90 degrees and decreases sensibly at larger angles. Similar behavior is observed for the three triclinic angular parameters alpha, beta and gamma, with characteristic differences between the organic and metal-organic, bio-macromolecular and inorganic crystals, respectively. The general behavior observed for the hexagonal, tetragonal, orthorhombic, monoclinic and triclinic crystals {in the first part of this series [de Gelder & Janner (2005). Acta Cryst. B61, 287-295] and in the present case} is summarized and commented. The data involved represent 366 800 crystals, with lattice parameters taken from the Cambridge Structural Database, CSD (294 400 entries), the Protein Data Bank, PDB (18 800 entries), and the Inorganic Crystal Structure Database, ICSD (53 600 entries). A new general structural principle is suggested.

Tunable bandgaps in a deployable metamaterial

NASA Astrophysics Data System (ADS)

Nanda, Aditya; Karami, M. Amin

2018-03-01

In this manuscript, we envision deployable structures (such as solar arrays) and origami-inspired foldable structures as metamaterials capable of tunable wave manipulation. Specifically, we present a metamaterial whose bandgaps can be modulated by changing the fold angle of adjacent panels. The repeating unit cell of the structure consists of a beam (representing a panel) and a torsional spring (representing the folding mechanism). Two important cases are considered. Firstly, the fold angle (angle between adjacent beams), Ψ, is zero and only flexural waves propagate. In the second case, the fold angle is greater than zero (Ψ > 0). This causes longitudinal and transverse vibration to be coupled. FEM models are used to validate both these analyses. Increasing the fold angle was found to inflict profound changes to the wave transmission characteristics of the structure. In general, increasing the fold angles caused the bandwidth of bandgaps to increase significantly. For the lowest four bandgaps we found bandwidth increases of 252 %, 177 %, 230 % and 163 % respectively at Ψ = 90 deg (relative to the bandwidths at Ψ = 0). In addition, significant increase in bandwidth of the odd-numbered bandgaps occurs even at small fold angles- the bandwidth for the first and third bandgaps effectively double in size (increase by 100%) at Ψ = 20 deg relative to those at Ψ = 0. This has important ramifications in the context of tunable wave manipulation and adaptive filtering. In addition, by expanding out the characteristic equation of transfer matrix for the straight structure, we prove that the upper band edge of the nth bandgap will always equal the nth simply supported natural frequency of the constituent beam. Further, we found that the ratio (EI/kt) is an important parameter affecting the bandwidth of bandgaps. For low values of the ratio, effectively, no bandgap exists. For higher values of the ratio (EI/kt), we obtain a relatively large bandgap over which no waves propagate. This can have important ramifications for the design of foldable structures. As an alternative to impedance-based structural health monitoring, these insights can aid in health monitoring of deployable structures by tracking the bandwidth of bandgaps which can provide important clues about the mechanical parameters of the structure.

Finite element analysis (FEA) analysis of the preflex beam

NASA Astrophysics Data System (ADS)

Wan, Lijuan; Gao, Qilang

2017-10-01

The development of finite element analysis (FEA) has been relatively mature, and is one of the important means of structural analysis. This method changes the problem that the research of complex structure in the past needs to be done by a large number of experiments. Through the finite element method, the numerical simulation of the structure can be used to achieve a variety of static and dynamic simulation analysis of the mechanical problems, it is also convenient to study the parameters of the structural parameters. Combined with a certain number of experiments to verify the simulation model can be completed in the past all the needs of experimental research. The nonlinear finite element method is used to simulate the flexural behavior of the prestressed composite beams with corrugated steel webs. The finite element analysis is used to understand the mechanical properties of the structure under the action of bending load.

The thermal structure of Titan's atmosphere

NASA Technical Reports Server (NTRS)

Mckay, Christopher P.; Pollack, James B.; Courtin, Regis

1989-01-01

The present radiative-convective model of the Titan atmosphere thermal structure obtains the solar and IR radiation in a series of spectral intervals with vertical resolution. Haze properties have been determined with a microphysics model encompassing a minimum of free parameters. It is determined that gas and haze opacity alone, using temperatures established by Voyager observations, yields a model that is within a few percent of the radiative convective balance throughout the Titan atmosphere. Model calculations of the surface temperature are generally colder than the observed value by 5-10 K; better agreement is obtained through adjustment of the model parameters. Sunlight absorption by stratospheric haze and pressure-induced gas opacity in the IR are the most important thermal structure-controlling factors.

Parametric Study of Amorphous High-Entropy Alloys formation from two New Perspectives: Atomic Radius Modification and Crystalline Structure of Alloying Elements

NASA Astrophysics Data System (ADS)

Hu, Q.; Guo, S.; Wang, J. M.; Yan, Y. H.; Chen, S. S.; Lu, D. P.; Liu, K. M.; Zou, J. Z.; Zeng, X. R.

2017-01-01

Chemical and topological parameters have been widely used for predicting the phase selection in high-entropy alloys (HEAs). Nevertheless, previous studies could be faulted due to the small number of available data points, the negligence of kinetic effects, and the insensitivity to small compositional changes. Here in this work, 92 TiZrHfM, TiZrHfMM, TiZrHfMMM (M = Fe, Cr, V, Nb, Al, Ag, Cu, Ni) HEAs were prepared by melt spinning, to build a reliable and sufficiently large material database to inspect the robustness of previously established parameters. Modification of atomic radii by considering the change of local electronic environment in alloys, was critically found out to be superior in distinguishing the formation of amorphous and crystalline alloys, when compared to using atomic radii of pure elements in topological parameters. Moreover, crystal structures of alloying element were found to play an important role in the amorphous phase formation, which was then attributed to how alloying hexagonal-close-packed elements and face-centered-cubic or body-centered-cubic elements can affect the mixing enthalpy. Findings from this work not only provide parametric studies for HEAs with new and important perspectives, but also reveal possibly a hidden connection among some important concepts in various fields.

Nanodosimetric track structure in homogeneous extended beams.

PubMed

Conte, V; Moro, D; Colautti, P; Grosswendt, B

2015-09-01

Physical aspects of particle track structure are important in determining the induction of clustered damage in relevant subcellular structures like the DNA and higher-order genomic structures. The direct measurement of track-structure properties of ionising radiation is feasible today by counting the number of ionisations produced inside a small gas volume. In particular, the so-called track-nanodosimeter, installed at the TANDEM-ALPI accelerator complex of LNL, measures ionisation cluster-size distributions in a simulated subcellular structure of dimensions 20 nm, corresponding approximately to the diameter of the chromatin fibre. The target volume is irradiated by pencil beams of primary particles passing at specified impact parameter. To directly relate these measured track-structure data to radiobiological measurements performed in broad homogeneous particle beams, these data can be integrated over the impact parameter. This procedure was successfully applied to 240 MeV carbon ions and compared with Monte Carlo simulations for extended fields. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

HARMONY: a server for the assessment of protein structures

PubMed Central

Pugalenthi, G.; Shameer, K.; Srinivasan, N.; Sowdhamini, R.

2006-01-01

Protein structure validation is an important step in computational modeling and structure determination. Stereochemical assessment of protein structures examine internal parameters such as bond lengths and Ramachandran (φ,ψ) angles. Gross structure prediction methods such as inverse folding procedure and structure determination especially at low resolution can sometimes give rise to models that are incorrect due to assignment of misfolds or mistracing of electron density maps. Such errors are not reflected as strain in internal parameters. HARMONY is a procedure that examines the compatibility between the sequence and the structure of a protein by assigning scores to individual residues and their amino acid exchange patterns after considering their local environments. Local environments are described by the backbone conformation, solvent accessibility and hydrogen bonding patterns. We are now providing HARMONY through a web server such that users can submit their protein structure files and, if required, the alignment of homologous sequences. Scores are mapped on the structure for subsequent examination that is useful to also recognize regions of possible local errors in protein structures. HARMONY server is located at PMID:16844999

Essential Parameters for Structural Analysis and Dereplication by 1H NMR Spectroscopy

PubMed Central

2015-01-01

The present study demonstrates the importance of adequate precision when reporting the δ and J parameters of frequency domain 1H NMR (HNMR) data. Using a variety of structural classes (terpenoids, phenolics, alkaloids) from different taxa (plants, cyanobacteria), this study develops rationales that explain the importance of enhanced precision in NMR spectroscopic analysis and rationalizes the need for reporting Δδ and ΔJ values at the 0.1–1 ppb and 10 mHz level, respectively. Spectral simulations paired with iteration are shown to be essential tools for complete spectral interpretation, adequate precision, and unambiguous HNMR-driven dereplication and metabolomic analysis. The broader applicability of the recommendation relates to the physicochemical properties of hydrogen (1H) and its ubiquity in organic molecules, making HNMR spectra an integral component of structure elucidation and verification. Regardless of origin or molecular weight, the HNMR spectrum of a compound can be very complex and encode a wealth of structural information that is often obscured by limited spectral dispersion and the occurrence of higher order effects. This altogether limits spectral interpretation, confines decoding of the underlying spin parameters, and explains the major challenge associated with the translation of HNMR spectra into tabulated information. On the other hand, the reproducibility of the spectral data set of any (new) chemical entity is essential for its structure elucidation and subsequent dereplication. Handling and documenting HNMR data with adequate precision is critical for establishing unequivocal links between chemical structure, analytical data, metabolomes, and biological activity. Using the full potential of HNMR spectra will facilitate the general reproducibility for future studies of bioactive chemicals, especially of compounds obtained from the diversity of terrestrial and marine organisms. PMID:24895010

Elements of an algorithm for optimizing a parameter-structural neural network

NASA Astrophysics Data System (ADS)

Mrówczyńska, Maria

2016-06-01

The field of processing information provided by measurement results is one of the most important components of geodetic technologies. The dynamic development of this field improves classic algorithms for numerical calculations in the aspect of analytical solutions that are difficult to achieve. Algorithms based on artificial intelligence in the form of artificial neural networks, including the topology of connections between neurons have become an important instrument connected to the problem of processing and modelling processes. This concept results from the integration of neural networks and parameter optimization methods and makes it possible to avoid the necessity to arbitrarily define the structure of a network. This kind of extension of the training process is exemplified by the algorithm called the Group Method of Data Handling (GMDH), which belongs to the class of evolutionary algorithms. The article presents a GMDH type network, used for modelling deformations of the geometrical axis of a steel chimney during its operation.

Ground water flow modeling with sensitivity analyses to guide field data collection in a mountain watershed

USGS Publications Warehouse

Johnson, Raymond H.

2007-01-01

In mountain watersheds, the increased demand for clean water resources has led to an increased need for an understanding of ground water flow in alpine settings. In Prospect Gulch, located in southwestern Colorado, understanding the ground water flow system is an important first step in addressing metal loads from acid-mine drainage and acid-rock drainage in an area with historical mining. Ground water flow modeling with sensitivity analyses are presented as a general tool to guide future field data collection, which is applicable to any ground water study, including mountain watersheds. For a series of conceptual models, the observation and sensitivity capabilities of MODFLOW-2000 are used to determine composite scaled sensitivities, dimensionless scaled sensitivities, and 1% scaled sensitivity maps of hydraulic head. These sensitivities determine the most important input parameter(s) along with the location of observation data that are most useful for future model calibration. The results are generally independent of the conceptual model and indicate recharge in a high-elevation recharge zone as the most important parameter, followed by the hydraulic conductivities in all layers and recharge in the next lower-elevation zone. The most important observation data in determining these parameters are hydraulic heads at high elevations, with a depth of less than 100 m being adequate. Evaluation of a possible geologic structure with a different hydraulic conductivity than the surrounding bedrock indicates that ground water discharge to individual stream reaches has the potential to identify some of these structures. Results of these sensitivity analyses can be used to prioritize data collection in an effort to reduce time and money spend by collecting the most relevant model calibration data.

Structural Connectivity Networks of Transgender People

PubMed Central

Hahn, Andreas; Kranz, Georg S.; Küblböck, Martin; Kaufmann, Ulrike; Ganger, Sebastian; Hummer, Allan; Seiger, Rene; Spies, Marie; Winkler, Dietmar; Kasper, Siegfried; Windischberger, Christian; Swaab, Dick F.; Lanzenberger, Rupert

2015-01-01

Although previous investigations of transsexual people have focused on regional brain alterations, evaluations on a network level, especially those structural in nature, are largely missing. Therefore, we investigated the structural connectome of 23 female-to-male (FtM) and 21 male-to-female (MtF) transgender patients before hormone therapy as compared with 25 female and 25 male healthy controls. Graph theoretical analysis of whole-brain probabilistic tractography networks (adjusted for differences in intracranial volume) showed decreased hemispheric connectivity ratios of subcortical/limbic areas for both transgender groups. Subsequent analysis revealed that this finding was driven by increased interhemispheric lobar connectivity weights (LCWs) in MtF transsexuals and decreased intrahemispheric LCWs in FtM patients. This was further reflected on a regional level, where the MtF group showed mostly increased local efficiencies and FtM patients decreased values. Importantly, these parameters separated each patient group from the remaining subjects for the majority of significant findings. This work complements previously established regional alterations with important findings of structural connectivity. Specifically, our data suggest that network parameters may reflect unique characteristics of transgender patients, whereas local physiological aspects have been shown to represent the transition from the biological sex to the actual gender identity. PMID:25217469

Structural and functional changes during epileptogenesis in the mouse model of medial temporal lobe epilepsy.

PubMed

Dietrich, Yvan; Eliat, Pierre-Antoine; Dieuset, Gabriel; Saint-Jalmes, Herve; Pineau, Charles; Wendling, Fabrice; Martin, Benoit

2016-08-01

An important issue in epilepsy research is to understand the structural and functional modifications leading to chronic epilepsy, characterized by spontaneous recurrent seizures, after initial brain insult. To address this issue, we recorded and analyzed electroencephalography (EEG) and quantitative magnetic resonance imaging (MRI) data during epileptogenesis in the in vivo mouse model of Medial Temporal Lobe Epilepsy (MTLE, kainate). Besides, this model of epilepsy is a particular form of drug-resistant epilepsy. The results indicate that high-field (4.7T) MRI parameters (T2-weighted; T2-quantitative) allow to detect the gradual neuro-anatomical changes that occur during epileptogenesis while electrophysiological parameters (number and duration of Hippocampal Paroxysmal Discharges) allow to assess the dysfunctional changes through the quantification of epileptiform activity. We found a strong correlation between EEG-based markers (invasive recording) and MRI-based parameters (non-invasive) periodically computed over the `latent period' that spans over two weeks, on average. These results indicated that both structural and functional changes occur in the considered epilepsy model and are considered as biomarkers of the installation of epilepsy. Additionally, such structural and functional changes can also be observed in human temporal lobe epilepsy. Interestingly, MRI imaging parameters could be used to track early (day-7) structural changes (gliosis, cell loss) in the lesioned brain and to quantify the evolution of epileptogenesis after traumatic brain injury.

Framework for Understanding Structural Errors (FUSE): A modular framework to diagnose differences between hydrological models

USGS Publications Warehouse

Clark, Martyn P.; Slater, Andrew G.; Rupp, David E.; Woods, Ross A.; Vrugt, Jasper A.; Gupta, Hoshin V.; Wagener, Thorsten; Hay, Lauren E.

2008-01-01

The problems of identifying the most appropriate model structure for a given problem and quantifying the uncertainty in model structure remain outstanding research challenges for the discipline of hydrology. Progress on these problems requires understanding of the nature of differences between models. This paper presents a methodology to diagnose differences in hydrological model structures: the Framework for Understanding Structural Errors (FUSE). FUSE was used to construct 79 unique model structures by combining components of 4 existing hydrological models. These new models were used to simulate streamflow in two of the basins used in the Model Parameter Estimation Experiment (MOPEX): the Guadalupe River (Texas) and the French Broad River (North Carolina). Results show that the new models produced simulations of streamflow that were at least as good as the simulations produced by the models that participated in the MOPEX experiment. Our initial application of the FUSE method for the Guadalupe River exposed relationships between model structure and model performance, suggesting that the choice of model structure is just as important as the choice of model parameters. However, further work is needed to evaluate model simulations using multiple criteria to diagnose the relative importance of model structural differences in various climate regimes and to assess the amount of independent information in each of the models. This work will be crucial to both identifying the most appropriate model structure for a given problem and quantifying the uncertainty in model structure. To facilitate research on these problems, the FORTRAN‐90 source code for FUSE is available upon request from the lead author.

Studies on electronic spectral parameters of doped Nd(III) ion with therapeutically important ligands in dioxane solvent

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

Bajaj, Annu, E-mail: annu.bajaj11@gmail.com; Jain, Sushma

2016-05-06

The present investigation is concerened with the studies on electronic spectral parameters viz. Oscillator strength (P), Judd-Ofelt T{sub λ} (λ=2,4,6), Slater-Condon(F{sub K}),Lande(ζ{sub 4F}),Nephelauxetic ratio(β), Bonding parameter (b{sup 1/2}) and Percent covalency parameter (δ%) for Nd(III) ion complexes with the ligands having Nitrogen,Oxygen Sulphur donor sites.The variation in the values of oscillator strength explicitly shows the relative sensitivities of the 4f-4f transition as well as the specific correlation between ligand structures and nature of Nd(III) ligand interaction.

Optimal structure and parameter learning of Ising models

DOE PAGES

Lokhov, Andrey; Vuffray, Marc Denis; Misra, Sidhant; ...

2018-03-16

Reconstruction of the structure and parameters of an Ising model from binary samples is a problem of practical importance in a variety of disciplines, ranging from statistical physics and computational biology to image processing and machine learning. The focus of the research community shifted toward developing universal reconstruction algorithms that are both computationally efficient and require the minimal amount of expensive data. Here, we introduce a new method, interaction screening, which accurately estimates model parameters using local optimization problems. The algorithm provably achieves perfect graph structure recovery with an information-theoretically optimal number of samples, notably in the low-temperature regime, whichmore » is known to be the hardest for learning. Here, the efficacy of interaction screening is assessed through extensive numerical tests on synthetic Ising models of various topologies with different types of interactions, as well as on real data produced by a D-Wave quantum computer. Finally, this study shows that the interaction screening method is an exact, tractable, and optimal technique that universally solves the inverse Ising problem.« less

Optimal structure and parameter learning of Ising models

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

Lokhov, Andrey; Vuffray, Marc Denis; Misra, Sidhant

Reconstruction of the structure and parameters of an Ising model from binary samples is a problem of practical importance in a variety of disciplines, ranging from statistical physics and computational biology to image processing and machine learning. The focus of the research community shifted toward developing universal reconstruction algorithms that are both computationally efficient and require the minimal amount of expensive data. Here, we introduce a new method, interaction screening, which accurately estimates model parameters using local optimization problems. The algorithm provably achieves perfect graph structure recovery with an information-theoretically optimal number of samples, notably in the low-temperature regime, whichmore » is known to be the hardest for learning. Here, the efficacy of interaction screening is assessed through extensive numerical tests on synthetic Ising models of various topologies with different types of interactions, as well as on real data produced by a D-Wave quantum computer. Finally, this study shows that the interaction screening method is an exact, tractable, and optimal technique that universally solves the inverse Ising problem.« less

Statistical Analysis of Large-Scale Structure of Universe

NASA Astrophysics Data System (ADS)

Tugay, A. V.

While galaxy cluster catalogs were compiled many decades ago, other structural elements of cosmic web are detected at definite level only in the newest works. For example, extragalactic filaments were described by velocity field and SDSS galaxy distribution during the last years. Large-scale structure of the Universe could be also mapped in the future using ATHENA observations in X-rays and SKA in radio band. Until detailed observations are not available for the most volume of Universe, some integral statistical parameters can be used for its description. Such methods as galaxy correlation function, power spectrum, statistical moments and peak statistics are commonly used with this aim. The parameters of power spectrum and other statistics are important for constraining the models of dark matter, dark energy, inflation and brane cosmology. In the present work we describe the growth of large-scale density fluctuations in one- and three-dimensional case with Fourier harmonics of hydrodynamical parameters. In result we get power-law relation for the matter power spectrum.

Structural investigation of HIV-1 nonnucleoside reverse transcriptase inhibitors: 2-Aryl-substituted benzimidazoles

NASA Astrophysics Data System (ADS)

Ziółkowska, Natasza E.; Michejda, Christopher J.; Bujacz, Grzegorz D.

2009-11-01

Acquired immunodeficiency syndrome (AIDS) caused by the human immunodeficiency virus (HIV) is one of the most destructive epidemics in history. Inhibitors of HIV enzymes are the main targets to develop drugs against that disease. Nonnucleoside reverse transcriptase inhibitors of HIV-1 (NNRTIs) are potentially effective and nontoxic. Structural studies provide information necessary to design more active compounds. The crystal structures of four NNRTI derivatives of 2-aryl-substituted N-benzyl-benzimidazole are presented here. Analysis of the geometrical parameters shows that the structures of the investigated inhibitors are rigid. The important geometrical parameter is the dihedral angle between the planes of the π-electron systems of the benzymidazole and benzyl moieties. The values of these dihedral angles are in a narrow range for all investigated inhibitors. There is no significant difference between the structure of the free inhibitor and the inhibitor in the complex with RT HIV-1. X-ray structures of the investigated inhibitors are a good basis for modeling enzyme-inhibitor interactions in rational drug design.

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.

Probabilistic-Based Modeling and Simulation Assessment

DTIC Science & Technology

2010-06-01

developed to determine the relative importance of structural components of the vehicle under differnet crash and blast scenarios. With the integration of...the vehicle under different crash and blast scenarios. With the integration of the high fidelity neck and head model, a methodology to calculate the...parameter variability, correlation, and multiple (often competing) failure metrics. Important scenarios include vehicular collisions, blast /fragment

3D Forest: An application for descriptions of three-dimensional forest structures using terrestrial LiDAR

PubMed Central

Krůček, Martin; Vrška, Tomáš; Král, Kamil

2017-01-01

Terrestrial laser scanning is a powerful technology for capturing the three-dimensional structure of forests with a high level of detail and accuracy. Over the last decade, many algorithms have been developed to extract various tree parameters from terrestrial laser scanning data. Here we present 3D Forest, an open-source non-platform-specific software application with an easy-to-use graphical user interface with the compilation of algorithms focused on the forest environment and extraction of tree parameters. The current version (0.42) extracts important parameters of forest structure from the terrestrial laser scanning data, such as stem positions (X, Y, Z), tree heights, diameters at breast height (DBH), as well as more advanced parameters such as tree planar projections, stem profiles or detailed crown parameters including convex and concave crown surface and volume. Moreover, 3D Forest provides quantitative measures of between-crown interactions and their real arrangement in 3D space. 3D Forest also includes an original algorithm of automatic tree segmentation and crown segmentation. Comparison with field data measurements showed no significant difference in measuring DBH or tree height using 3D Forest, although for DBH only the Randomized Hough Transform algorithm proved to be sufficiently resistant to noise and provided results comparable to traditional field measurements. PMID:28472167

Spectral embedding finds meaningful (relevant) structure in image and microarray data

PubMed Central

Higgs, Brandon W; Weller, Jennifer; Solka, Jeffrey L

2006-01-01

Background Accurate methods for extraction of meaningful patterns in high dimensional data have become increasingly important with the recent generation of data types containing measurements across thousands of variables. Principal components analysis (PCA) is a linear dimensionality reduction (DR) method that is unsupervised in that it relies only on the data; projections are calculated in Euclidean or a similar linear space and do not use tuning parameters for optimizing the fit to the data. However, relationships within sets of nonlinear data types, such as biological networks or images, are frequently mis-rendered into a low dimensional space by linear methods. Nonlinear methods, in contrast, attempt to model important aspects of the underlying data structure, often requiring parameter(s) fitting to the data type of interest. In many cases, the optimal parameter values vary when different classification algorithms are applied on the same rendered subspace, making the results of such methods highly dependent upon the type of classifier implemented. Results We present the results of applying the spectral method of Lafon, a nonlinear DR method based on the weighted graph Laplacian, that minimizes the requirements for such parameter optimization for two biological data types. We demonstrate that it is successful in determining implicit ordering of brain slice image data and in classifying separate species in microarray data, as compared to two conventional linear methods and three nonlinear methods (one of which is an alternative spectral method). This spectral implementation is shown to provide more meaningful information, by preserving important relationships, than the methods of DR presented for comparison. Tuning parameter fitting is simple and is a general, rather than data type or experiment specific approach, for the two datasets analyzed here. Tuning parameter optimization is minimized in the DR step to each subsequent classification method, enabling the possibility of valid cross-experiment comparisons. Conclusion Results from the spectral method presented here exhibit the desirable properties of preserving meaningful nonlinear relationships in lower dimensional space and requiring minimal parameter fitting, providing a useful algorithm for purposes of visualization and classification across diverse datasets, a common challenge in systems biology. PMID:16483359

Thermodynamic modeling of transcription: sensitivity analysis differentiates biological mechanism from mathematical model-induced effects.

PubMed

Dresch, Jacqueline M; Liu, Xiaozhou; Arnosti, David N; Ay, Ahmet

2010-10-24

Quantitative models of gene expression generate parameter values that can shed light on biological features such as transcription factor activity, cooperativity, and local effects of repressors. An important element in such investigations is sensitivity analysis, which determines how strongly a model's output reacts to variations in parameter values. Parameters of low sensitivity may not be accurately estimated, leading to unwarranted conclusions. Low sensitivity may reflect the nature of the biological data, or it may be a result of the model structure. Here, we focus on the analysis of thermodynamic models, which have been used extensively to analyze gene transcription. Extracted parameter values have been interpreted biologically, but until now little attention has been given to parameter sensitivity in this context. We apply local and global sensitivity analyses to two recent transcriptional models to determine the sensitivity of individual parameters. We show that in one case, values for repressor efficiencies are very sensitive, while values for protein cooperativities are not, and provide insights on why these differential sensitivities stem from both biological effects and the structure of the applied models. In a second case, we demonstrate that parameters that were thought to prove the system's dependence on activator-activator cooperativity are relatively insensitive. We show that there are numerous parameter sets that do not satisfy the relationships proferred as the optimal solutions, indicating that structural differences between the two types of transcriptional enhancers analyzed may not be as simple as altered activator cooperativity. Our results emphasize the need for sensitivity analysis to examine model construction and forms of biological data used for modeling transcriptional processes, in order to determine the significance of estimated parameter values for thermodynamic models. Knowledge of parameter sensitivities can provide the necessary context to determine how modeling results should be interpreted in biological systems.

Elucidation of kinematical and dynamical structure of the Galactic bulge

NASA Astrophysics Data System (ADS)

Yano, T.; Gouda, N.; Ueda, H.; Koyama, H.; Kan-ya, Y.; Taruya, A.

2008-07-01

Future space mission of astrometric satellite, GAIA and JASMINE (Japan Astrometry Satellite Mission for Infrared Exploration), will produce astrometric parameter, such as positions, parallaxes, and proper motions of stars in the Galactic bulge. Then kinematical information will be obtained in the future. Accordingly it is expected that our understanding of the dynamical structure will be greatly improved. Therefore it is important to make a method to construct a kinematical and dynamical structure of the Galactic bulge immediately.

Nature-replicated nano-in-micro structures for triboelectric energy harvesting.

PubMed

Seol, Myeong-Lok; Woo, Jong-Ho; Lee, Dong-Il; Im, Hwon; Hur, Jae; Choi, Yang-Kyu

2014-10-15

Triboelectric nanogenerators with nature-replicated interface structures are presented. Effective contact areas of the triboelectric surfaces are largely enhanced because of the densely packed nano-in-micro hierarchical structures in nature. The enlarged contact area causes stronger triboelectric charge density, which results in output power increment. The interface engineering also allows the improved humidity resistance, which is an important parameter for the stable energy harvesting. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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.

The FP4026 Research Database on the fundamental period of RC infilled frame structures.

PubMed

Asteris, Panagiotis G

2016-12-01

The fundamental period of vibration appears to be one of the most critical parameters for the seismic design of buildings because it strongly affects the destructive impact of the seismic forces. In this article, important research data (entitled FP4026 Research Database (Fundamental Period-4026 cases of infilled frames) based on a detailed and in-depth analytical research on the fundamental period of reinforced concrete structures is presented. In particular, the values of the fundamental period which have been analytically determined are presented, taking into account the majority of the involved parameters. This database can be extremely valuable for the development of new code proposals for the estimation of the fundamental period of reinforced concrete structures fully or partially infilled with masonry walls.

Air-gun signature modelling considering the influence of mechanical structure factors

NASA Astrophysics Data System (ADS)

Li, Guofa; Liu, Zhao; Wang, Jianhua; Cao, Mingqiang

2014-04-01

In marine seismic prospecting, as the air-gun array is usually composed of different types of air-guns, the signature modelling of different air-guns is particularly important to the array design. Different types of air-guns have different mechanical structures, which directly or indirectly affect the signatures. In order to simulate the influence of the mechanical structure, five parameters—the throttling constant, throttling power law exponent, mass release efficiency, fluid viscosity and heat transfer coefficient—are used in signature modelling. Through minimizing the energy relative error between the simulated and the measured signatures by the simulated annealing method, the five optimal parameters can be estimated. The method is tested in a field experiment, and the consistency between the simulated and the measured signatures is improved with the optimal parameters.

Approximate Bayesian computation in large-scale structure: constraining the galaxy-halo connection

NASA Astrophysics Data System (ADS)

Hahn, ChangHoon; Vakili, Mohammadjavad; Walsh, Kilian; Hearin, Andrew P.; Hogg, David W.; Campbell, Duncan

2017-08-01

Standard approaches to Bayesian parameter inference in large-scale structure assume a Gaussian functional form (chi-squared form) for the likelihood. This assumption, in detail, cannot be correct. Likelihood free inferences such as approximate Bayesian computation (ABC) relax these restrictions and make inference possible without making any assumptions on the likelihood. Instead ABC relies on a forward generative model of the data and a metric for measuring the distance between the model and data. In this work, we demonstrate that ABC is feasible for LSS parameter inference by using it to constrain parameters of the halo occupation distribution (HOD) model for populating dark matter haloes with galaxies. Using specific implementation of ABC supplemented with population Monte Carlo importance sampling, a generative forward model using HOD and a distance metric based on galaxy number density, two-point correlation function and galaxy group multiplicity function, we constrain the HOD parameters of mock observation generated from selected 'true' HOD parameters. The parameter constraints we obtain from ABC are consistent with the 'true' HOD parameters, demonstrating that ABC can be reliably used for parameter inference in LSS. Furthermore, we compare our ABC constraints to constraints we obtain using a pseudo-likelihood function of Gaussian form with MCMC and find consistent HOD parameter constraints. Ultimately, our results suggest that ABC can and should be applied in parameter inference for LSS analyses.

Preparation of composite micro/nano structure on the silicon surface by reactive ion etching: Enhanced anti-reflective and hydrophobic properties

NASA Astrophysics Data System (ADS)

Zeng, Yu; Fan, Xiaoli; Chen, Jiajia; He, Siyu; Yi, Zao; Ye, Xin; Yi, Yougen

2018-05-01

A silicon substrate with micro-pyramid structure (black silicon) is prepared by wet chemical etching and then subjected to reactive ion etching (RIE) in the mixed gas condition of SF6, CHF3 and He. We systematically study the impacts of flow rates of SF6, CHF3 and He, the etching pressure and the etching time on the surface morphology and reflectivity through various characterizations. Meanwhile, we explore and obtain the optimal combination of parameters for the preparation of composite structure that match the RIE process based on the basis of micro-pyramid silicon substrate. The composite sample prepared under the optimum parameters exhibits excellent anti-reflective performance, hydrophobic, self-cleaning and anti-corrosive properties. Based on the above characteristics, the composite micro/nano structure can be applied to solar cells, photodetectors, LEDs, outdoor devices and other important fields.

Sequential Analysis: Hypothesis Testing and Changepoint Detection

DTIC Science & Technology

2014-07-11

it is necessary to estimate in situ the geographical coordinates and other parameters of earthquakes . The standard sensor equipment of a three...components. When an earthquake arises, the sensors begin to record several types of seismic waves (body and surface waves), among which the more important...machines and to increased safety norms. Many structures to be monitored, e.g., civil engineering structures subject to wind and earthquakes , aircraft

Structural identifiability of cyclic graphical models of biological networks with latent variables.

PubMed

Wang, Yulin; Lu, Na; Miao, Hongyu

2016-06-13

Graphical models have long been used to describe biological networks for a variety of important tasks such as the determination of key biological parameters, and the structure of graphical model ultimately determines whether such unknown parameters can be unambiguously obtained from experimental observations (i.e., the identifiability problem). Limited by resources or technical capacities, complex biological networks are usually partially observed in experiment, which thus introduces latent variables into the corresponding graphical models. A number of previous studies have tackled the parameter identifiability problem for graphical models such as linear structural equation models (SEMs) with or without latent variables. However, the limited resolution and efficiency of existing approaches necessarily calls for further development of novel structural identifiability analysis algorithms. An efficient structural identifiability analysis algorithm is developed in this study for a broad range of network structures. The proposed method adopts the Wright's path coefficient method to generate identifiability equations in forms of symbolic polynomials, and then converts these symbolic equations to binary matrices (called identifiability matrix). Several matrix operations are introduced for identifiability matrix reduction with system equivalency maintained. Based on the reduced identifiability matrices, the structural identifiability of each parameter is determined. A number of benchmark models are used to verify the validity of the proposed approach. Finally, the network module for influenza A virus replication is employed as a real example to illustrate the application of the proposed approach in practice. The proposed approach can deal with cyclic networks with latent variables. The key advantage is that it intentionally avoids symbolic computation and is thus highly efficient. Also, this method is capable of determining the identifiability of each single parameter and is thus of higher resolution in comparison with many existing approaches. Overall, this study provides a basis for systematic examination and refinement of graphical models of biological networks from the identifiability point of view, and it has a significant potential to be extended to more complex network structures or high-dimensional systems.

System identification for modeling for control of flexible structures

NASA Technical Reports Server (NTRS)

Mettler, Edward; Milman, Mark

1986-01-01

The major components of a design and operational flight strategy for flexible structure control systems are presented. In this strategy an initial distributed parameter control design is developed and implemented from available ground test data and on-orbit identification using sophisticated modeling and synthesis techniques. The reliability of this high performance controller is directly linked to the accuracy of the parameters on which the design is based. Because uncertainties inevitably grow without system monitoring, maintaining the control system requires an active on-line system identification function to supply parameter updates and covariance information. Control laws can then be modified to improve performance when the error envelopes are decreased. In terms of system safety and stability the covariance information is of equal importance as the parameter values themselves. If the on-line system ID function detects an increase in parameter error covariances, then corresponding adjustments must be made in the control laws to increase robustness. If the error covariances exceed some threshold, an autonomous calibration sequence could be initiated to restore the error enveloped to an acceptable level.

Magnetic damping in sputter-deposited C o2MnGe Heusler compounds with A 2 ,B 2 , and L 21 orders: Experiment and theory

NASA Astrophysics Data System (ADS)

Shaw, Justin M.; Delczeg-Czirjak, Erna K.; Edwards, Eric R. J.; Kvashnin, Yaroslav; Thonig, Danny; Schoen, Martin A. W.; Pufall, Matt; Schneider, Michael L.; Silva, Thomas J.; Karis, Olof; Rice, Katherine P.; Eriksson, Olle; Nembach, Hans T.

2018-03-01

We show that very low values of the magnetic damping parameter can be achieved in sputter deposited polycrystalline films of C o2MnGe annealed at relatively low temperatures ranging from 240 °C to 400 °C. Damping values as low as 0.0014 are obtained with an intrinsic value of 0.0010 after spin-pumping contributions are considered. Of importance to most applications is the low value of inhomogeneous linewidth that yields measured linewidths of 1.8 and 5.1 mT at 10 and 40 GHz, respectively. The damping parameter monotonically decreases as the B 2 order of the films increases. This trend is reproduced and explained by ab initio calculations of the electronic structure and damping parameter. Here, the damping parameter is calculated as the structure evolves from A 2 to B 2 to L 21 orders. The largest decrease in the damping parameter occurs during the A 2 to B 2 transition as the half-metallic phase becomes established.

Log-amplitude variance and wave structure function: A new perspective for Gaussian beams

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

Miller, W.B.; Ricklin, J.C.; Andrews, L.C.

1993-04-01

Two naturally linked pairs of nondimensional parameters are identified such that either pair, together with wavelength and path length, completely specifies the diffractive propagation environment for a lowest-order paraxial Gaussian beam. Both parameter pairs are intuitive, and within the context of locally homogeneous and isotropic turbulence they reflect the long-recognized importance of the Fresnel zone size in the behavior of Rytov propagation statistics. These parameter pairs, called, respectively, the transmitter and receiver parameters, also provide a change in perspective in the analysis of optical turbulence effects on Gaussian beams by unifying a number of behavioral traits previously observed or predicted,more » and they create an environment in which the determination of limiting interrelationships between beam forms is especially simple. The fundamental nature of the parameter pairs becomes apparent in the derived analytical expressions for the log-amplitude variance and the wave structure function. These expressions verify general optical turbulence-related characteristics predicted for Gaussian beams, provide additional insights into beam-wave behavior, and are convenient tools for beam-wave analysis. 22 refs., 10 figs., 2 tabs.« less

Effects of model complexity and priors on estimation using sequential importance sampling/resampling for species conservation

USGS Publications Warehouse

Dunham, Kylee; Grand, James B.

2016-01-01

We examined the effects of complexity and priors on the accuracy of models used to estimate ecological and observational processes, and to make predictions regarding population size and structure. State-space models are useful for estimating complex, unobservable population processes and making predictions about future populations based on limited data. To better understand the utility of state space models in evaluating population dynamics, we used them in a Bayesian framework and compared the accuracy of models with differing complexity, with and without informative priors using sequential importance sampling/resampling (SISR). Count data were simulated for 25 years using known parameters and observation process for each model. We used kernel smoothing to reduce the effect of particle depletion, which is common when estimating both states and parameters with SISR. Models using informative priors estimated parameter values and population size with greater accuracy than their non-informative counterparts. While the estimates of population size and trend did not suffer greatly in models using non-informative priors, the algorithm was unable to accurately estimate demographic parameters. This model framework provides reasonable estimates of population size when little to no information is available; however, when information on some vital rates is available, SISR can be used to obtain more precise estimates of population size and process. Incorporating model complexity such as that required by structured populations with stage-specific vital rates affects precision and accuracy when estimating latent population variables and predicting population dynamics. These results are important to consider when designing monitoring programs and conservation efforts requiring management of specific population segments.

DOTD implements soil measuring device to increase life of pavements : fact sheet.

DOT National Transportation Integrated Search

2011-11-01

The resilient modulus (Mr) of : pavement materials and subgrades : is an important input parameter for : the design of pavement structures. : Highway agencies tried to seek : diff erent surrogates. Various empirical : correlations have been used to p...

Hierarchical Structure of Articular Bone-Cartilage Interface and Its Potential Application for Osteochondral Tissue Engineering

NASA Astrophysics Data System (ADS)

Bian, Weiguo; Qin, Lian; Li, Dichen; Wang, Jin; Jin, Zhongmin

2010-09-01

The artificial biodegradable osteochondral construct is one of mostly promising lifetime substitute in the joint replacement. And the complex hierarchical structure of natural joint is important in developing the osteochondral construct. However, the architecture features of the interface between cartilage and bone, in particular those at the micro-and nano-structural level, remain poorly understood. This paper investigates these structural data of the cartilage-bone interface by micro computerized tomography (μCT) and Scanning Electron Microscope (SEM). The result of μCT shows that important bone parameters and the density of articular cartilage are all related to the position in the hierarchical structure. The conjunctions of bone and cartilage were defined by SEM. All of the study results would be useful for the design of osteochondral construct further manufactured by nano-tech. A three-dimensional model with gradient porous structure is constructed in the environment of Pro/ENGINEERING software.

Does the choice of the crystal structure influence the results of the periodic DFT calculations? A case of glycine alpha polymorph GIPAW NMR parameters computations.

PubMed

Szeleszczuk, Łukasz; Pisklak, Dariusz Maciej; Zielińska-Pisklak, Monika

2018-05-30

Glycine is a common amino acid with relatively complex chemistry in solid state. Although several polymorphs (α, β, δ, γ, ε) of crystalline glycine are known, for NMR spectroscopy the most important is a polymorph, which is used as a standard for calibration of spectrometer performance and therefore it is intensively studied by both experimental methods and theoretical computation. The great scientific interest in a glycine results in a large number of crystallographic information files (CIFs) deposited in Cambridge Structural Database (CSD). The aim of this study was to evaluate the influence of the chosen crystal structure of α glycine obtained in different crystallographic experimental conditions (temperature, pressure and source of radiation of α glycine) on the results of periodic DFT calculation. For this purpose the total of 136 GIPAW calculations of α glycine NMR parameters were performed, preceded by the four approaches ("SP", "only H", "full", "full+cell") of structure preparation. The analysis of the results of those computations performed on the representative group of 34 structures obtained at various experimental conditions revealed that though the structures were generally characterized by good accuracy (R < 0.05 for most of them) the results of the periodic DFT calculations performed using the unoptimized structures differed significantly. The values of the standard deviations of the studied NMR parameters were in most cases decreasing with the number of optimized parameters. The most accurate results (of the calculations) were in most cases obtained using the structures with solely hydrogen atoms positions optimized. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Characterizing Woody Vegetation Spectral and Structural Parameters with a 3-D Scene Model

NASA Astrophysics Data System (ADS)

Qin, W.; Yang, L.

2004-05-01

Quantification of structural and biophysical parameters of woody vegetation is of great significance in understanding vegetation condition, dynamics and functionality. Such information over a landscape scale is crucial for global and regional land cover characterization, global carbon-cycle research, forest resource inventories, and fire fuel estimation. While great efforts and progress have been made in mapping general land cover types over large area, at present, the ability to quantify regional woody vegetation structural and biophysical parameters is limited. One approach to address this research issue is through an integration of physically based 3-D scene model with multiangle and multispectral remote sensing data and in-situ measurements. The first step of this work is to model woody vegetation structure and its radiation regime using a physically based 3-D scene model and field data, before a robust operational algorithm can be developed for retrieval of important woody vegetation structural/biophysical parameters. In this study, we use an advanced 3-D scene model recently developed by Qin and Gerstl (2000), based on L-systems and radiosity theories. This 3-D scene model has been successfully applied to semi-arid shrubland to study structure and radiation regime at a regional scale. We apply this 3-D scene model to a more complicated and heterogeneous forest environment dominated by deciduous and coniferous trees. The data used in this study are from a field campaign conducted by NASA in a portion of the Superior National Forest (SNF) near Ely, Minnesota during the summers of 1983 and 1984, and supplement data collected during our revisit to the same area of SNF in summer of 2003. The model is first validated with reflectance measurements at different scales (ground observations, helicopter, aircraft, and satellite). Then its ability to characterize the structural and spectral parameters of the forest scene is evaluated. Based on the results from this study and the current multi-spectral and multi-angular satellite data (MODIS, MISR), a robust retrieval system to estimate woody vegetation structural/biophysical parameters is proposed.

Probabilistic Structural Evaluation of Uncertainties in Radiator Sandwich Panel Design

NASA Technical Reports Server (NTRS)

Kuguoglu, Latife; Ludwiczak, Damian

2006-01-01

The Jupiter Icy Moons Orbiter (JIMO) Space System is part of the NASA's Prometheus Program. As part of the JIMO engineering team at NASA Glenn Research Center, the structural design of the JIMO Heat Rejection Subsystem (HRS) is evaluated. An initial goal of this study was to perform sensitivity analyses to determine the relative importance of the input variables on the structural responses of the radiator panel. The desire was to let the sensitivity analysis information identify the important parameters. The probabilistic analysis methods illustrated here support this objective. The probabilistic structural performance evaluation of a HRS radiator sandwich panel was performed. The radiator panel structural performance was assessed in the presence of uncertainties in the loading, fabrication process variables, and material properties. The stress and displacement contours of the deterministic structural analysis at mean probability was performed and results presented. It is followed by a probabilistic evaluation to determine the effect of the primitive variables on the radiator panel structural performance. Based on uncertainties in material properties, structural geometry and loading, the results of the displacement and stress analysis are used as an input file for the probabilistic analysis of the panel. The sensitivity of the structural responses, such as maximum displacement and maximum tensile and compressive stresses of the facesheet in x and y directions and maximum VonMises stresses of the tube, to the loading and design variables is determined under the boundary condition where all edges of the radiator panel are pinned. Based on this study, design critical material and geometric parameters of the considered sandwich panel are identified.

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.

Cooperation-Controlled Learning for Explicit Class Structure in Self-Organizing Maps

PubMed Central

Kamimura, Ryotaro

2014-01-01

We attempt to demonstrate the effectiveness of multiple points of view toward neural networks. By restricting ourselves to two points of view of a neuron, we propose a new type of information-theoretic method called “cooperation-controlled learning.” In this method, individual and collective neurons are distinguished from one another, and we suppose that the characteristics of individual and collective neurons are different. To implement individual and collective neurons, we prepare two networks, namely, cooperative and uncooperative networks. The roles of these networks and the roles of individual and collective neurons are controlled by the cooperation parameter. As the parameter is increased, the role of cooperative networks becomes more important in learning, and the characteristics of collective neurons become more dominant. On the other hand, when the parameter is small, individual neurons play a more important role. We applied the method to the automobile and housing data from the machine learning database and examined whether explicit class boundaries could be obtained. Experimental results showed that cooperation-controlled learning, in particular taking into account information on input units, could be used to produce clearer class structure than conventional self-organizing maps. PMID:25309950

A new methodology based on sensitivity analysis to simplify the recalibration of functional-structural plant models in new conditions.

PubMed

Mathieu, Amélie; Vidal, Tiphaine; Jullien, Alexandra; Wu, QiongLi; Chambon, Camille; Bayol, Benoit; Cournède, Paul-Henry

2018-06-19

Functional-structural plant models (FSPMs) describe explicitly the interactions between plants and their environment at organ to plant scale. However, the high level of description of the structure or model mechanisms makes this type of model very complex and hard to calibrate. A two-step methodology to facilitate the calibration process is proposed here. First, a global sensitivity analysis method was applied to the calibration loss function. It provided first-order and total-order sensitivity indexes that allow parameters to be ranked by importance in order to select the most influential ones. Second, the Akaike information criterion (AIC) was used to quantify the model's quality of fit after calibration with different combinations of selected parameters. The model with the lowest AIC gives the best combination of parameters to select. This methodology was validated by calibrating the model on an independent data set (same cultivar, another year) with the parameters selected in the second step. All the parameters were set to their nominal value; only the most influential ones were re-estimated. Sensitivity analysis applied to the calibration loss function is a relevant method to underline the most significant parameters in the estimation process. For the studied winter oilseed rape model, 11 out of 26 estimated parameters were selected. Then, the model could be recalibrated for a different data set by re-estimating only three parameters selected with the model selection method. Fitting only a small number of parameters dramatically increases the efficiency of recalibration, increases the robustness of the model and helps identify the principal sources of variation in varying environmental conditions. This innovative method still needs to be more widely validated but already gives interesting avenues to improve the calibration of FSPMs.

Planar doped barrier devices for subharmonic mixers

NASA Technical Reports Server (NTRS)

Lee, T. H.; East, J. R.; Haddad, G. I.

1991-01-01

An overview is given of planar doped barrier (PDB) devices for subharmonic mixer applications. A simplified description is given of PDB characteristics along with a more complete numerical analysis of the current versus voltage characteristics of typical structures. The analysis points out the tradeoffs between the device structure and the resulting characteristics that are important for mixer performance. Preliminary low-frequency characterization results are given for the device structures, and a computer analysis of subharmonic mixer parameters and performance is presented.

Modal loss mechanism of micro-structured VCSELs studied using full vector FDTD method.

PubMed

Jo, Du-Ho; Vu, Ngoc Hai; Kim, Jin-Tae; Hwang, In-Kag

2011-09-12

Modal properties of vertical cavity surface-emitting lasers (VCSELs) with holey structures are studied using a finite difference time domain (FDTD) method. We investigate loss behavior with respect to the variation of structural parameters, and explain the loss mechanism of VCSELs. We also propose an effective method to estimate the modal loss based on mode profiles obtained using FDTD simulation. Our results could provide an important guideline for optimization of the microstructures of high-power single-mode VCSELs.

GenSSI 2.0: multi-experiment structural identifiability analysis of SBML models.

PubMed

Ligon, Thomas S; Fröhlich, Fabian; Chis, Oana T; Banga, Julio R; Balsa-Canto, Eva; Hasenauer, Jan

2018-04-15

Mathematical modeling using ordinary differential equations is used in systems biology to improve the understanding of dynamic biological processes. The parameters of ordinary differential equation models are usually estimated from experimental data. To analyze a priori the uniqueness of the solution of the estimation problem, structural identifiability analysis methods have been developed. We introduce GenSSI 2.0, an advancement of the software toolbox GenSSI (Generating Series for testing Structural Identifiability). GenSSI 2.0 is the first toolbox for structural identifiability analysis to implement Systems Biology Markup Language import, state/parameter transformations and multi-experiment structural identifiability analysis. In addition, GenSSI 2.0 supports a range of MATLAB versions and is computationally more efficient than its previous version, enabling the analysis of more complex models. GenSSI 2.0 is an open-source MATLAB toolbox and available at https://github.com/genssi-developer/GenSSI. thomas.ligon@physik.uni-muenchen.de or jan.hasenauer@helmholtz-muenchen.de. Supplementary data are available at Bioinformatics online.

Vibration and bending analyses of magneto-electro-thermo-elastic sandwich microplates resting on viscoelastic foundation

NASA Astrophysics Data System (ADS)

Arefi, Mohammad; Zenkour, Ashraf M.

2017-08-01

Magneto-electro-thermo-mechanical bending and free vibration analysis of a sandwich microplate using strain gradient theory is expressed in this paper. The sandwich plate is made of a core and two integrated piezo-magnetic face sheets. The structure is subjected to electric and magnetic potentials, thermal loadings, and resting on Pasternak's foundation. Electro-magnetic equations are developed by considering the variation form of Hamilton's principle. The effects of important parameters of this problem such as applied electric and magnetic potentials, direct and shear parameter of foundation, three microlength-scale parameters, and two parameters of temperature rising are investigated on the vibration and bending results of problem.

The influence of the surface parameter changes onto the phonon states in ultrathin crystalline films

NASA Astrophysics Data System (ADS)

Šetrajčić, Jovan P.; Ilić, Dušan I.; Jaćimovski, Stevo K.

2018-04-01

In this paper, we have analytically investigated how the changes in boundary surface parameters influence the phonon dispersion law in ultrathin films of the simple cubic crystalline structure. Spectra of possible phonon states are analyzed using the method of two-time dependent Green's functions and for the diverse combination of boundary surface parameters, this problem was presented numerically and graphically. It turns out that for certain values and combinations of parameters, displacement of dispersion branches outside of bulk zone occurs, leading to the creation of localized phonon states. This fact is of great importance for the heat removal, electrical conductivity and superconducting properties of ultrathin films.

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.

[Features of the structure and parameters of the intra-alveolar septa in residents of Western Siberia].

PubMed

Shishkin, G S; Ustiuzhaninova, N V

1998-01-01

In inhabitants of Novosibirsk and Moscow district intraalveolar septum, the basic functional element of the lung consists of interstitial connective tissue and capillar network, limited with basement membranes, on which cells of epithelial lining are placed. There are no principal differences in septal structure between individuals from both regions. The majority of morphometric parameters are statistically similar, although certain peculiarities were noted in human subjects from Siberia, the most important of which is that air-blood barrier in them is 33% thinner than those in inhabitants of Moscow district. Majority of capillaries possess the air-blood barrier from both sides. This increases diffous capacity of the lungs and blood oxygenation level.

Removal of target odorous molecules on to activated carbon cloths.

PubMed

Le Leuch, L M; Subrenat, A; Le Cloirec, P

2004-01-01

Activated carbon materials are adsorbents whose physico-chemical properties are interesting for the treatment of odorous compounds like hydrogen sulfide. Indeed, their structural parameters (pore structure) and surface chemistry (presence of heteroatoms such as oxygen, hydrogen, nitrogen, sulfur, phosphorus) play an important role in H2S removal. The cloth texture of these adsorbents (activated carbon cloths) is particularly adapted for dealing with high flows, often found in the treatment of odor emissions. Thus, this paper first presents the influence of these parameters through adsorption isothermal curves performed on several materials. Secondly, tests in a dynamic system are described. They highlight the low critical thickness of the fabric compared to granular activated carbon.

Importance of dispersion and electron correlation in ab initio protein folding.

PubMed

He, Xiao; Fusti-Molnar, Laszlo; Cui, Guanglei; Merz, Kenneth M

2009-04-16

Dispersion is well-known to be important in biological systems, but the effect of electron correlation in such systems remains unclear. In order to assess the relationship between the structure of a protein and its electron correlation energy, we employed both full system Hartree-Fock (HF) and second-order Møller-Plesset perturbation (MP2) calculations in conjunction with the Polarizable Continuum Model (PCM) on the native structures of two proteins and their corresponding computer-generated decoy sets. Because of the expense of the MP2 calculation, we have utilized the fragment molecular orbital method (FMO) in this study. We show that the sum of the Hartree-Fock (HF) energy and force field (LJ6)-derived dispersion energy (HF + LJ6) is well correlated with the energies obtained using second-order Møller-Plesset perturbation (MP2) theory. In one of the two examples studied, the correlation energy as well as the empirical dispersive energy term was able to discriminate between native and decoy structures. On the other hand, for the second protein we studied, neither the correlation energy nor dispersion energy showed discrimination capabilities; however, the ab initio MP2 energy and the HF+LJ6 both ranked the native structure correctly. Furthermore, when we randomly scrambled the Lennard-Jones parameters, the correlation between the MP2 energy and the sum of the HF energy and dispersive energy (HF+LJ6) significantly drops, which indicates that the choice of Lennard-Jones parameters is important.

Dynamics of Female Pelvic Floor Function Using Urodynamics, Ultrasound and Magnetic Resonance Imaging (MRI)

PubMed Central

Constantinou, Christos E.

2009-01-01

In this review the diagnostic potential of evaluating female pelvic floor muscle (PFM)) function using magnetic and ultrasound imaging in the context of urodynamic observations is considered in terms of determining the mechanisms of urinary continence. A new approach is used to consider the dynamics of PFM activity by introducing new parameters derived from imaging. Novel image processing techniques are applied to illustrate the static anatomy and dynamics PFM function of stress incontinent women pre and post operatively as compared to asymptomatic subjects. Function was evaluated from the dynamics of organ displacement produced during voluntary and reflex activation. Technical innovations include the use of ultrasound analysis of movement of structures during maneuvers that are associated with external stimuli. Enabling this approach is the development of criteria and fresh and unique parameters that define the kinematics of PFM function. Principal among these parameters, are displacement, velocity, acceleration and the trajectory of pelvic floor landmarks. To accomplish this objective, movement detection, including motion tracking algorithms and segmentation algorithms were developed to derive new parameters of trajectory, displacement, velocity and acceleration, and strain of pelvic structures during different maneuvers. Results highlight the importance of timing the movement and deformation to fast and stressful maneuvers, which are important for understanding the neuromuscular control and function of PFM. Furthermore, observations suggest that timing of responses is a significant factor separating the continent from the incontinent subjects. PMID:19303690

Subjective and Objective Parameters Determining "Salience" in Long-Term Dialect Accommodation.

ERIC Educational Resources Information Center

Auer, Peter; Barden, Birgit; Grosskopf, Beate

1998-01-01

Presents results of a longitudinal study on long-term dialect accommodation in a German dialect setting. An important model of explaining which linguistic structures undergo such convergence and which do not makes use of the notion of "salience." (Author/VWL)

A REVIEW OF STRUCTURE-BASED BIODEGRADATION ESTIMATION METHODS. (R825370C077)

EPA Science Inventory

Biodegradation, being the principal abatement process in the environment, is the most important parameter influencing the toxicity, persistence, and ultimate fate in aquatic and terrestrial ecosystems. Biodegradation of an organic chemical in natural systems may be classified ...

A REVIEW OF STRUCTURE-BASED BIODEGRADATION ESTIMATION METHODS. (R825370C064)

EPA Science Inventory

Biodegradation, being the principal abatement process in the environment, is the most important parameter influencing the toxicity, persistence, and ultimate fate in aquatic and terrestrial ecosystems. Biodegradation of an organic chemical in natural systems may be classified ...

Optimizing physical energy functions for protein folding.

PubMed

Fujitsuka, Yoshimi; Takada, Shoji; Luthey-Schulten, Zaida A; Wolynes, Peter G

2004-01-01

We optimize a physical energy function for proteins with the use of the available structural database and perform three benchmark tests of the performance: (1) recognition of native structures in the background of predefined decoy sets of Levitt, (2) de novo structure prediction using fragment assembly sampling, and (3) molecular dynamics simulations. The energy parameter optimization is based on the energy landscape theory and uses a Monte Carlo search to find a set of parameters that seeks the largest ratio deltaE(s)/DeltaE for all proteins in a training set simultaneously. Here, deltaE(s) is the stability gap between the native and the average in the denatured states and DeltaE is the energy fluctuation among these states. Some of the energy parameters optimized are found to show significant correlation with experimentally observed quantities: (1) In the recognition test, the optimized function assigns the lowest energy to either the native or a near-native structure among many decoy structures for all the proteins studied. (2) Structure prediction with the fragment assembly sampling gives structure models with root mean square deviation less than 6 A in one of the top five cluster centers for five of six proteins studied. (3) Structure prediction using molecular dynamics simulation gives poorer performance, implying the importance of having a more precise description of local structures. The physical energy function solely inferred from a structural database neither utilizes sequence information from the family of the target nor the outcome of the secondary structure prediction but can produce the correct native fold for many small proteins. Copyright 2003 Wiley-Liss, Inc.

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.

Intelligent Modeling Combining Adaptive Neuro Fuzzy Inference System and Genetic Algorithm for Optimizing Welding Process Parameters

NASA Astrophysics Data System (ADS)

Gowtham, K. N.; Vasudevan, M.; Maduraimuthu, V.; Jayakumar, T.

2011-04-01

Modified 9Cr-1Mo ferritic steel is used as a structural material for steam generator components of power plants. Generally, tungsten inert gas (TIG) welding is preferred for welding of these steels in which the depth of penetration achievable during autogenous welding is limited. Therefore, activated flux TIG (A-TIG) welding, a novel welding technique, has been developed in-house to increase the depth of penetration. In modified 9Cr-1Mo steel joints produced by the A-TIG welding process, weld bead width, depth of penetration, and heat-affected zone (HAZ) width play an important role in determining the mechanical properties as well as the performance of the weld joints during service. To obtain the desired weld bead geometry and HAZ width, it becomes important to set the welding process parameters. In this work, adaptative neuro fuzzy inference system is used to develop independent models correlating the welding process parameters like current, voltage, and torch speed with weld bead shape parameters like depth of penetration, bead width, and HAZ width. Then a genetic algorithm is employed to determine the optimum A-TIG welding process parameters to obtain the desired weld bead shape parameters and HAZ width.

Influence of the growth parameters on the electronic and magnetic properties of La0.67Sr0.33MnO3 epitaxial thin films

NASA Astrophysics Data System (ADS)

Annese, E.; Mori, T. J. A.; Schio, P.; Rache Salles, B.; Cezar, J. C.

2018-04-01

The implementation of La0.67Sr0.33MnO3 thin films in multilayered structures in organic and inorganic spintronics devices requires the optimization of their electronic and magnetic properties. In this work we report the structural, morphological, electronic and magnetic characterizations of La0.67Sr0.33MnO3 epitaxial thin films on SrTiO3 substrates, grown by pulsed laser deposition under different growing conditions. We show that the fluence of laser shots and in situ post-annealing conditions are important parameters to control the tetragonality (c/a) of the thin films. The distortion of the structure has a remarkable impact on both surface and bulk magnetism, allowing the tunability of the materials properties for use in different applications.

Investigation of skin structures based on infrared wave parameter indirect microscopic imaging

NASA Astrophysics Data System (ADS)

Zhao, Jun; Liu, Xuefeng; Xiong, Jichuan; Zhou, Lijuan

2017-02-01

Detailed imaging and analysis of skin structures are becoming increasingly important in modern healthcare and clinic diagnosis. Nanometer resolution imaging techniques such as SEM and AFM can cause harmful damage to the sample and cannot measure the whole skin structure from the very surface through epidermis, dermis to subcutaneous. Conventional optical microscopy has the highest imaging efficiency, flexibility in onsite applications and lowest cost in manufacturing and usage, but its image resolution is too low to be accepted for biomedical analysis. Infrared parameter indirect microscopic imaging (PIMI) uses an infrared laser as the light source due to its high transmission in skins. The polarization of optical wave through the skin sample was modulated while the variation of the optical field was observed at the imaging plane. The intensity variation curve of each pixel was fitted to extract the near field polarization parameters to form indirect images. During the through-skin light modulation and image retrieving process, the curve fitting removes the blurring scattering from neighboring pixels and keeps only the field variations related to local skin structures. By using the infrared PIMI, we can break the diffraction limit, bring the wide field optical image resolution to sub-200nm, in the meantime of taking advantage of high transmission of infrared waves in skin structures.

System identification of timber masonry walls using shaking table test

NASA Astrophysics Data System (ADS)

Roy, Timir B.; Guerreiro, Luis; Bagchi, Ashutosh

2017-04-01

Dynamic study is important in order to design, repair and rehabilitation of structures. It has played an important role in the behavior characterization of structures; such as: bridges, dams, high rise buildings etc. There had been substantial development in this area over the last few decades, especially in the field of dynamic identification techniques of structural systems. Frequency Domain Decomposition (FDD) and Time Domain Decomposition are most commonly used methods to identify modal parameters; such as: natural frequency, modal damping and mode shape. The focus of the present research is to study the dynamic characteristics of typical timber masonry walls commonly used in Portugal. For that purpose, a multi-storey structural prototype of such wall has been tested on a seismic shake table at the National Laboratory for Civil Engineering, Portugal (LNEC). Signal processing has been performed of the output response, which is collected from the shaking table experiment of the prototype using accelerometers. In the present work signal processing of the output response, based on the input response has been done in two ways: FDD and Stochastic Subspace Identification (SSI). In order to estimate the values of the modal parameters, algorithms for FDD are formulated and parametric functions for the SSI are computed. Finally, estimated values from both the methods are compared to measure the accuracy of both the techniques.

Sensitivity study on durability variables of marine concrete structures

NASA Astrophysics Data System (ADS)

Zhou, Xin'gang; Li, Kefei

2013-06-01

In order to study the influence of parameters on durability of marine concrete structures, the parameter's sensitivity analysis was studied in this paper. With the Fick's 2nd law of diffusion and the deterministic sensitivity analysis method (DSA), the sensitivity factors of apparent surface chloride content, apparent chloride diffusion coefficient and its time dependent attenuation factor were analyzed. The results of the analysis show that the impact of design variables on concrete durability was different. The values of sensitivity factor of chloride diffusion coefficient and its time dependent attenuation factor were higher than others. Relative less error in chloride diffusion coefficient and its time dependent attenuation coefficient induces a bigger error in concrete durability design and life prediction. According to probability sensitivity analysis (PSA), the influence of mean value and variance of concrete durability design variables on the durability failure probability was studied. The results of the study provide quantitative measures of the importance of concrete durability design and life prediction variables. It was concluded that the chloride diffusion coefficient and its time dependent attenuation factor have more influence on the reliability of marine concrete structural durability. In durability design and life prediction of marine concrete structures, it was very important to reduce the measure and statistic error of durability design variables.

On the climate policy implications of substitutability and flexibility in the economy: An in-depth integrated assessment model diagnostic

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

Craxton, Melanie; Merrick, James; Makridis, Christos

This paper conducts an in-depth model diagnostic exercise for two parameters, 1) the elasticity of substitution between the capital/labour aggregate and the energy aggregate in the Integrated Assessment Model (IAM) MERGE's production function and 2) the rate at which new technologies can be deployed within the energy system. We show that in a more complementary world the model's ability to adjust the carbon intensity of its energy sector is more important whereas in a more substitutable world the ability to expand carbon free technologies is of lesser relative importance. The uncertainty in the literature surrounding the elasticity of substitution parameter,more » its interaction with the mechanisms of technical change, and the associated danger of grounding forward-looking analyses in historically based parameters lend support to the importance of such a diagnostic exercise. Building on work from model intercomparison studies, we investigate whether a given model's choice of strategy is primarily a function of the choice of its parameter values or its structure. As a result, a deeper understanding of what drives model behaviour is beneficial to both modellers and the policymakers who utilise their insights and output.« less

On the climate policy implications of substitutability and flexibility in the economy: An in-depth integrated assessment model diagnostic

DOE PAGES

Craxton, Melanie; Merrick, James; Makridis, Christos; ...

2017-07-12

This paper conducts an in-depth model diagnostic exercise for two parameters, 1) the elasticity of substitution between the capital/labour aggregate and the energy aggregate in the Integrated Assessment Model (IAM) MERGE's production function and 2) the rate at which new technologies can be deployed within the energy system. We show that in a more complementary world the model's ability to adjust the carbon intensity of its energy sector is more important whereas in a more substitutable world the ability to expand carbon free technologies is of lesser relative importance. The uncertainty in the literature surrounding the elasticity of substitution parameter,more » its interaction with the mechanisms of technical change, and the associated danger of grounding forward-looking analyses in historically based parameters lend support to the importance of such a diagnostic exercise. Building on work from model intercomparison studies, we investigate whether a given model's choice of strategy is primarily a function of the choice of its parameter values or its structure. As a result, a deeper understanding of what drives model behaviour is beneficial to both modellers and the policymakers who utilise their insights and output.« less

Interfacial layer thickness dependent electrical characteristics of Au/(Zn-doped PVA)/n-4H-SiC (MPS) structures at room temperature

NASA Astrophysics Data System (ADS)

Lapa, Havva Elif; Kökce, Ali; Al-Dharob, Mohammed; Orak, İkram; Özdemir, Ahmet Faruk; Altındal, Semsettin

2017-10-01

Au/(Zn-doped PVA)/n-4H-SiC metal/polymer/semiconductor (MPS) structures with different interfacial layer thickness values (50, 150, 500 nm) were fabricated and their electrical characteristics were compared. Their electrical parameters (i.e. reverse-bias saturation current (Io), ideality factor (n), zero-bias barrier height (BH) (Φbo), series and shunt resistances (Rs, Rsh)) were calculated from the forward bias current-voltage (IF-VF) data whereas other parameters (i.e. Fermi energy level (EF), BH (Vb) and donor concentration (Nd)) were calculated from the linear part of C-2-V characteristics at room temperature. Obtained results confirmed that the values of n, Φbo, Rs and Rsh increase with increasing interlayer thickness, and linear correlation between n and Φbo was observed. The high values of n for three structures can be ascribed to the presence of an interlayer, surface states (Nss) and barrier inhomogeneities. The energy density distribution profile of Nss was obtained from the IF-VF data by taking into account voltage-dependent effective BH (Ve) and n for each structure. The Ri vs V plot for these structures was obtained using both Ohm's law and Nicollian-Brews method. All these experimental results show that the interfacial layer and its thickness play an important role in main electric parameters of these structures.

Ultrasound-assisted synthesis of CuO nanostructures templated by cotton fibers

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

Zou, Yunling, E-mail: zouyunling1999@126.com; Li, Yan; Guo, Ying

Highlights: ► Flower-like and corn-like CuO nanostructures were synthesized by a simple method. ► Cotton fibers purchased from commercially are used as template. ► The concentration of Cu(NO{sub 3}){sub 2} solution is an important parameter. -- Abstract: Flower-like and corn-like CuO nanostructures composed of CuO nanoparticles were successfully synthesized via ultrasound-assisted template method, respectively, by controlling the initial concentration of Cu(NO{sub 3}){sub 2} solution. Here, cotton fibers were used as template agent. The products were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), field-emission scanning electron microscopy (FE-SEM) and energy-dispersive spectroscopy (EDS), respectively. The results demonstrated that the initialmore » concentration of Cu(NO{sub 3}){sub 2} solution was an important parameter for determining whether CuO nanoparticles assembled into flower-like structures or corn-like structures. The mechanism of forming different nanostructures of CuO was discussed.« less

SA-Mot: a web server for the identification of motifs of interest extracted from protein loops

PubMed Central

Regad, Leslie; Saladin, Adrien; Maupetit, Julien; Geneix, Colette; Camproux, Anne-Claude

2011-01-01

The detection of functional motifs is an important step for the determination of protein functions. We present here a new web server SA-Mot (Structural Alphabet Motif) for the extraction and location of structural motifs of interest from protein loops. Contrary to other methods, SA-Mot does not focus only on functional motifs, but it extracts recurrent and conserved structural motifs involved in structural redundancy of loops. SA-Mot uses the structural word notion to extract all structural motifs from uni-dimensional sequences corresponding to loop structures. Then, SA-Mot provides a description of these structural motifs using statistics computed in the loop data set and in SCOP superfamily, sequence and structural parameters. SA-Mot results correspond to an interactive table listing all structural motifs extracted from a target structure and their associated descriptors. Using this information, the users can easily locate loop regions that are important for the protein folding and function. The SA-Mot web server is available at http://sa-mot.mti.univ-paris-diderot.fr. PMID:21665924

SA-Mot: a web server for the identification of motifs of interest extracted from protein loops.

PubMed

Regad, Leslie; Saladin, Adrien; Maupetit, Julien; Geneix, Colette; Camproux, Anne-Claude

2011-07-01

The detection of functional motifs is an important step for the determination of protein functions. We present here a new web server SA-Mot (Structural Alphabet Motif) for the extraction and location of structural motifs of interest from protein loops. Contrary to other methods, SA-Mot does not focus only on functional motifs, but it extracts recurrent and conserved structural motifs involved in structural redundancy of loops. SA-Mot uses the structural word notion to extract all structural motifs from uni-dimensional sequences corresponding to loop structures. Then, SA-Mot provides a description of these structural motifs using statistics computed in the loop data set and in SCOP superfamily, sequence and structural parameters. SA-Mot results correspond to an interactive table listing all structural motifs extracted from a target structure and their associated descriptors. Using this information, the users can easily locate loop regions that are important for the protein folding and function. The SA-Mot web server is available at http://sa-mot.mti.univ-paris-diderot.fr.

Smart vibration control analysis of seismic response using MR dampers in the elevated highway bridge structures

NASA Astrophysics Data System (ADS)

Yan, Shi; Zhang, Hai

2005-05-01

The magnetorheological (MR) damper is on of the smart controllers used widely in civil engineering structures. These kinds of dampers are applied in the paper in the elevated highway bridge (EHB) with rubber bearing support piers to mitigate damages of the bridge during the severe earthquake ground motion. The dynamic calculating model and equation of motion for the EHB system are set up theoretically and the LQR semi-active control algorithm of seismic response for the EHB system is developed to reduce effectively the responses of the structure. The non-linear calculation model of the piers that rigid degradation is considered and numerical simulative calculation are carried out by Matlab program. The number and location as well as the maximum control forces of the MR dampers, which are the most important parameters for the controlled system, are determined and the rubber bearing and connection forms of the damper play also important rule in the control efficiency. A real EHB structure that is located in Anshan city, Liaoning province in China is used as an example to be calculated under different earthquake records. The results of the calculation show that it is effective to reduce seismic responses of the EHB system by combining the rubber bearing isolation with semi-active MR control technique under the earthquake ground motion. The locations of MR dampers and structural parameters will influence seriously to the effects of structural vibration control.

A partition function-based weighting scheme in force field parameter development using ab initio calculation results in global configurational space.

PubMed

Wu, Yao; Dai, Xiaodong; Huang, Niu; Zhao, Lifeng

2013-06-05

In force field parameter development using ab initio potential energy surfaces (PES) as target data, an important but often neglected matter is the lack of a weighting scheme with optimal discrimination power to fit the target data. Here, we developed a novel partition function-based weighting scheme, which not only fits the target potential energies exponentially like the general Boltzmann weighting method, but also reduces the effect of fitting errors leading to overfitting. The van der Waals (vdW) parameters of benzene and propane were reparameterized by using the new weighting scheme to fit the high-level ab initio PESs probed by a water molecule in global configurational space. The molecular simulation results indicate that the newly derived parameters are capable of reproducing experimental properties in a broader range of temperatures, which supports the partition function-based weighting scheme. Our simulation results also suggest that structural properties are more sensitive to vdW parameters than partial atomic charge parameters in these systems although the electrostatic interactions are still important in energetic properties. As no prerequisite conditions are required, the partition function-based weighting method may be applied in developing any types of force field parameters. Copyright © 2013 Wiley Periodicals, Inc.

Parametrization consequences of constraining soil organic matter models by total carbon and radiocarbon using long-term field data

NASA Astrophysics Data System (ADS)

Menichetti, Lorenzo; Kätterer, Thomas; Leifeld, Jens

2016-05-01

Soil organic carbon (SOC) dynamics result from different interacting processes and controls on spatial scales from sub-aggregate to pedon to the whole ecosystem. These complex dynamics are translated into models as abundant degrees of freedom. This high number of not directly measurable variables and, on the other hand, very limited data at disposal result in equifinality and parameter uncertainty. Carbon radioisotope measurements are a proxy for SOC age both at annual to decadal (bomb peak based) and centennial to millennial timescales (radio decay based), and thus can be used in addition to total organic C for constraining SOC models. By considering this additional information, uncertainties in model structure and parameters may be reduced. To test this hypothesis we studied SOC dynamics and their defining kinetic parameters in the Zürich Organic Fertilization Experiment (ZOFE) experiment, a > 60-year-old controlled cropland experiment in Switzerland, by utilizing SOC and SO14C time series. To represent different processes we applied five model structures, all stemming from a simple mother model (Introductory Carbon Balance Model - ICBM): (I) two decomposing pools, (II) an inert pool added, (III) three decomposing pools, (IV) two decomposing pools with a substrate control feedback on decomposition, (V) as IV but with also an inert pool. These structures were extended to explicitly represent total SOC and 14C pools. The use of different model structures allowed us to explore model structural uncertainty and the impact of 14C on kinetic parameters. We considered parameter uncertainty by calibrating in a formal Bayesian framework. By varying the relative importance of total SOC and SO14C data in the calibration, we could quantify the effect of the information from these two data streams on estimated model parameters. The weighing of the two data streams was crucial for determining model outcomes, and we suggest including it in future modeling efforts whenever SO14C data are available. The measurements and all model structures indicated a dramatic decline in SOC in the ZOFE experiment after an initial land use change in 1949 from grass- to cropland, followed by a constant but smaller decline. According to all structures, the three treatments (control, mineral fertilizer, farmyard manure) we considered were still far from equilibrium. The estimates of mean residence time (MRT) of the C pools defined by our models were sensitive to the consideration of the SO14C data stream. Model structure had a smaller effect on estimated MRT, which ranged between 5.9 ± 0.1 and 4.2 ± 0.1 years and 78.9 ± 0.1 and 98.9 ± 0.1 years for young and old pools, respectively, for structures without substrate interactions. The simplest model structure performed the best according to information criteria, validating the idea that we still lack data for mechanistic SOC models. Although we could not exclude any of the considered processes possibly involved in SOC decomposition, it was not possible to discriminate their relative importance.

A bias correction for covariance estimators to improve inference with generalized estimating equations that use an unstructured correlation matrix.

PubMed

Westgate, Philip M

2013-07-20

Generalized estimating equations (GEEs) are routinely used for the marginal analysis of correlated data. The efficiency of GEE depends on how closely the working covariance structure resembles the true structure, and therefore accurate modeling of the working correlation of the data is important. A popular approach is the use of an unstructured working correlation matrix, as it is not as restrictive as simpler structures such as exchangeable and AR-1 and thus can theoretically improve efficiency. However, because of the potential for having to estimate a large number of correlation parameters, variances of regression parameter estimates can be larger than theoretically expected when utilizing the unstructured working correlation matrix. Therefore, standard error estimates can be negatively biased. To account for this additional finite-sample variability, we derive a bias correction that can be applied to typical estimators of the covariance matrix of parameter estimates. Via simulation and in application to a longitudinal study, we show that our proposed correction improves standard error estimation and statistical inference. Copyright © 2012 John Wiley & Sons, Ltd.

Forest Attributes from Radar Interferometric Structure and its Fusion with Optical Remote Sensing

NASA Technical Reports Server (NTRS)

Treuhaft, Robert N.; Law, Beverly E.; Asner, Gregory P.

2004-01-01

The possibility of global, three-dimensional remote sensing of forest structure with interferometric synthetic aperture radar (InSAR) bears on important forest ecological processes, particularly the carbon cycle. InSAR supplements two-dimensional remote sensing with information in the vertical dimension. Its strengths in potential for global coverage complement those of lidar (light detecting and ranging), which has the potential for high-accuracy vertical profiles over small areas. InSAR derives its sensitivity to forest vertical structure from the differences in signals received by two, spatially separate radar receivers. Estimation of parameters describing vertical structure requires multiple-polarization, multiple-frequency, or multiple-baseline InSAR. Combining InSAR with complementary remote sensing techniques, such as hyperspectral optical imaging and lidar, can enhance vertical-structure estimates and consequent biophysical quantities of importance to ecologists, such as biomass. Future InSAR experiments will supplement recent airborne and spaceborne demonstrations, and together with inputs from ecologists regarding structure, they will suggest designs for future spaceborne strategies for measuring global vegetation structure.

Deep learning for neuroimaging: a validation study.

PubMed

Plis, Sergey M; Hjelm, Devon R; Salakhutdinov, Ruslan; Allen, Elena A; Bockholt, Henry J; Long, Jeffrey D; Johnson, Hans J; Paulsen, Jane S; Turner, Jessica A; Calhoun, Vince D

2014-01-01

Deep learning methods have recently made notable advances in the tasks of classification and representation learning. These tasks are important for brain imaging and neuroscience discovery, making the methods attractive for porting to a neuroimager's toolbox. Success of these methods is, in part, explained by the flexibility of deep learning models. However, this flexibility makes the process of porting to new areas a difficult parameter optimization problem. In this work we demonstrate our results (and feasible parameter ranges) in application of deep learning methods to structural and functional brain imaging data. These methods include deep belief networks and their building block the restricted Boltzmann machine. We also describe a novel constraint-based approach to visualizing high dimensional data. We use it to analyze the effect of parameter choices on data transformations. Our results show that deep learning methods are able to learn physiologically important representations and detect latent relations in neuroimaging data.

Cell structures caused by settling particles in turbulent Rayleigh-Bénard convection

NASA Astrophysics Data System (ADS)

Lee, Changhoon; Park, Sangro

2016-11-01

Turbulent thermal convection is an important phenomenon frequently found in nature and industrial processes, often with laden particles. In the last several decades, the vast majority of studies have addressed single phase convective flow with focus on the scaling relation of flow parameters associated with heat transfer. Particle-laden Rayleigh-Bénard convection, however, has not been sufficiently studied. In this study, modulation of cell structures by settling particles in turbulent Rayleigh-Bénard convection in a doubly periodic square channel is investigated using direct numerical simulation with a point particle approach. Flow parameters are fixed at Rayleigh number=106, Prandtl number=0.7, the aspect ratio=6, and Froude number=0.19. We report from the simulations that settling heavy particles modulate irregular large-scale thermal plume structures into organized polygonal cell structures. Different shapes of flow structures are obtained for different particle diameters and mass loadings. We found that polygonal cell structures arise due to asymmetric feedback force exerted by particles onto hot and cold plumes. Increasing the number of particles augments the asymmetry and the polygonal cell structures become smaller, eventually going to the hexagonal structures.

Opinion formation and distribution in a bounded-confidence model on various networks

NASA Astrophysics Data System (ADS)

Meng, X. Flora; Van Gorder, Robert A.; Porter, Mason A.

2018-02-01

In the social, behavioral, and economic sciences, it is important to predict which individual opinions eventually dominate in a large population, whether there will be a consensus, and how long it takes for a consensus to form. Such ideas have been studied heavily both in physics and in other disciplines, and the answers depend strongly both on how one models opinions and on the network structure on which opinions evolve. One model that was created to study consensus formation quantitatively is the Deffuant model, in which the opinion distribution of a population evolves via sequential random pairwise encounters. To consider heterogeneity of interactions in a population along with social influence, we study the Deffuant model on various network structures (deterministic synthetic networks, random synthetic networks, and social networks constructed from Facebook data). We numerically simulate the Deffuant model and conduct regression analyses to investigate the dependence of the time to reach steady states on various model parameters, including a confidence bound for opinion updates, the number of participating entities, and their willingness to compromise. We find that network structure and parameter values both have important effects on the convergence time and the number of steady-state opinion groups. For some network architectures, we observe that the relationship between the convergence time and model parameters undergoes a transition at a critical value of the confidence bound. For some networks, the steady-state opinion distribution also changes from consensus to multiple opinion groups at this critical value.

A Subspace Approach to the Structural Decomposition and Identification of Ankle Joint Dynamic Stiffness.

PubMed

Jalaleddini, Kian; Tehrani, Ehsan Sobhani; Kearney, Robert E

2017-06-01

The purpose of this paper is to present a structural decomposition subspace (SDSS) method for decomposition of the joint torque to intrinsic, reflexive, and voluntary torques and identification of joint dynamic stiffness. First, it formulates a novel state-space representation for the joint dynamic stiffness modeled by a parallel-cascade structure with a concise parameter set that provides a direct link between the state-space representation matrices and the parallel-cascade parameters. Second, it presents a subspace method for the identification of the new state-space model that involves two steps: 1) the decomposition of the intrinsic and reflex pathways and 2) the identification of an impulse response model of the intrinsic pathway and a Hammerstein model of the reflex pathway. Extensive simulation studies demonstrate that SDSS has significant performance advantages over some other methods. Thus, SDSS was more robust under high noise conditions, converging where others failed; it was more accurate, giving estimates with lower bias and random errors. The method also worked well in practice and yielded high-quality estimates of intrinsic and reflex stiffnesses when applied to experimental data at three muscle activation levels. The simulation and experimental results demonstrate that SDSS accurately decomposes the intrinsic and reflex torques and provides accurate estimates of physiologically meaningful parameters. SDSS will be a valuable tool for studying joint stiffness under functionally important conditions. It has important clinical implications for the diagnosis, assessment, objective quantification, and monitoring of neuromuscular diseases that change the muscle tone.

Geometric dependence of the parasitic components and thermal properties of HEMTs

NASA Astrophysics Data System (ADS)

Vun, Peter V.; Parker, Anthony E.; Mahon, Simon J.; Fattorini, Anthony

2007-12-01

For integrated circuit design up to 50GHz and beyond accurate models of the transistor access structures and intrinsic structures are necessary for prediction of circuit performance. The circuit design process relies on optimising transistor geometry parameters such as unit gate width, number of gates, number of vias and gate-to-gate spacing. So the relationship between electrical and thermal parasitic components in transistor access structures, and transistor geometry is important to understand when developing models for transistors of differing geometries. Current approaches to describing the geometric dependence of models are limited to empirical methods which only describe a finite set of geometries and only include unit gate width and number of gates as variables. A better understanding of the geometric dependence is seen as a way to provide scalable models that remain accurate for continuous variation of all geometric parameters. Understanding the distribution of parasitic elements between the manifold, the terminal fingers, and the reference plane discontinuities is an issue identified as important in this regard. Examination of dc characteristics and thermal images indicates that gate-to-gate thermal coupling and increased thermal conductance at the gate ends, affects the device total thermal conductance. Consequently, a distributed thermal model is proposed which accounts for these effects. This work is seen as a starting point for developing comprehensive scalable models that will allow RF circuit designers to optimise circuit performance parameters such as total die area, maximum output power, power-added-efficiency (PAE) and channel temperature/lifetime.

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.

Comparison of the Cut-and-Paste and Full Moment Tensor Methods for Estimating Earthquake Source Parameters

NASA Astrophysics Data System (ADS)

Templeton, D.; Rodgers, A.; Helmberger, D.; Dreger, D.

2008-12-01

Earthquake source parameters (seismic moment, focal mechanism and depth) are now routinely reported by various institutions and network operators. These parameters are important for seismotectonic and earthquake ground motion studies as well as calibration of moment magnitude scales and model-based earthquake-explosion discrimination. Source parameters are often estimated from long-period three- component waveforms at regional distances using waveform modeling techniques with Green's functions computed for an average plane-layered models. One widely used method is waveform inversion for the full moment tensor (Dreger and Helmberger, 1993). This method (TDMT) solves for the moment tensor elements by performing a linearized inversion in the time-domain that minimizes the difference between the observed and synthetic waveforms. Errors in the seismic velocity structure inevitably arise due to either differences in the true average plane-layered structure or laterally varying structure. The TDMT method can account for errors in the velocity model by applying a single time shift at each station to the observed waveforms to best match the synthetics. Another method for estimating source parameters is the Cut-and-Paste (CAP) method. This method breaks the three-component regional waveforms into five windows: vertical and radial component Pnl; vertical and radial component Rayleigh wave; and transverse component Love waves. The CAP method performs a grid search over double-couple mechanisms and allows the synthetic waveforms for each phase (Pnl, Rayleigh and Love) to shift in time to account for errors in the Green's functions. Different filtering and weighting of the Pnl segment relative to surface wave segments enhances sensitivity to source parameters, however, some bias may be introduced. This study will compare the TDMT and CAP methods in two different regions in order to better understand the advantages and limitations of each method. Firstly, we will consider the northeastern China/Korean Peninsula region where average plane-layered structure is well known and relatively laterally homogenous. Secondly, we will consider the Middle East where crustal and upper mantle structure is laterally heterogeneous due to recent and ongoing tectonism. If time allows we will investigate the efficacy of each method for retrieving source parameters from synthetic data generated using a three-dimensional model of seismic structure of the Middle East, where phase delays are known to arise from path-dependent structure.

Diffusion-advection within dynamic biological gaps driven by structural motion

NASA Astrophysics Data System (ADS)

Asaro, Robert J.; Zhu, Qiang; Lin, Kuanpo

2018-04-01

To study the significance of advection in the transport of solutes, or particles, within thin biological gaps (channels), we examine theoretically the process driven by stochastic fluid flow caused by random thermal structural motion, and we compare it with transport via diffusion. The model geometry chosen resembles the synaptic cleft; this choice is motivated by the cleft's readily modeled structure, which allows for well-defined mechanical and physical features that control the advection process. Our analysis defines a Péclet-like number, AD, that quantifies the ratio of time scales of advection versus diffusion. Another parameter, AM, is also defined by the analysis that quantifies the full potential extent of advection in the absence of diffusion. These parameters provide a clear and compact description of the interplay among the well-defined structural, geometric, and physical properties vis-a ̀-vis the advection versus diffusion process. For example, it is found that AD˜1 /R2 , where R is the cleft diameter and hence diffusion distance. This curious, and perhaps unexpected, result follows from the dependence of structural motion that drives fluid flow on R . AM, on the other hand, is directly related (essentially proportional to) the energetic input into structural motion, and thereby to fluid flow, as well as to the mechanical stiffness of the cleftlike structure. Our model analysis thus provides unambiguous insight into the prospect of competition of advection versus diffusion within biological gaplike structures. The importance of the random, versus a regular, nature of structural motion and of the resulting transient nature of advection under random motion is made clear in our analysis. Further, by quantifying the effects of geometric and physical properties on the competition between advection and diffusion, our results clearly demonstrate the important role that metabolic energy (ATP) plays in this competitive process.

Comparative evaluation of subgrade resilient modulus from non-destructive, in-situ, and laboratory methods : technical summary report.

DOT National Transportation Integrated Search

2008-09-01

The Resilient Modulus (Mr) of pavement materials and subgrades is an important input : parameter for the design of pavement structures. The Repeated Loading Triaxial (RLT) test : typically determines Mr. However, the RLT test requires well trained pe...

Parametric uncertainties in global model simulations of black carbon column mass concentration

NASA Astrophysics Data System (ADS)

Pearce, Hana; Lee, Lindsay; Reddington, Carly; Carslaw, Ken; Mann, Graham

2016-04-01

Previous studies have deduced that the annual mean direct radiative forcing from black carbon (BC) aerosol may regionally be up to 5 W m-2 larger than expected due to underestimation of global atmospheric BC absorption in models. We have identified the magnitude and important sources of parametric uncertainty in simulations of BC column mass concentration from a global aerosol microphysics model (GLOMAP-Mode). A variance-based uncertainty analysis of 28 parameters has been performed, based on statistical emulators trained on model output from GLOMAP-Mode. This is the largest number of uncertain model parameters to be considered in a BC uncertainty analysis to date and covers primary aerosol emissions, microphysical processes and structural parameters related to the aerosol size distribution. We will present several recommendations for further research to improve the fidelity of simulated BC. In brief, we find that the standard deviation around the simulated mean annual BC column mass concentration varies globally between 2.5 x 10-9 g cm-2 in remote marine regions and 1.25 x 10-6 g cm-2 near emission sources due to parameter uncertainty Between 60 and 90% of the variance over source regions is due to uncertainty associated with primary BC emission fluxes, including biomass burning, fossil fuel and biofuel emissions. While the contributions to BC column uncertainty from microphysical processes, for example those related to dry and wet deposition, are increased over remote regions, we find that emissions still make an important contribution in these areas. It is likely, however, that the importance of structural model error, i.e. differences between models, is greater than parametric uncertainty. We have extended our analysis to emulate vertical BC profiles at several locations in the mid-Pacific Ocean and identify the parameters contributing to uncertainty in the vertical distribution of black carbon at these locations. We will present preliminary comparisons of emulated BC vertical profiles from the AeroCom multi-model ensemble and Hiaper Pole-to-Pole (HIPPO) observations.

Development of ship structure health monitoring system based on IOT technology

NASA Astrophysics Data System (ADS)

Yang, Sujun; Shi, Lei; Chen, Demin; Dong, Yuqing; Hu, Zhenyi

2017-06-01

It is very important to monitor the ship structure, because ships are affected by all kinds of wind wave and current environment factor. At the same time, internet of things (IOT) technology plays more and more important role of in the development of industrial process. In the paper, real-time online monitoring of the ship can be realized by means of IOT technology. Ship stress, vibration and dynamic parameters are measured. Meanwhile, data is transmitted to remote monitoring system through intelligent data gateway. Timely remote support can be realized for dangerous stage of ship. Safe navigation of ships is guaranteed through application of the system.

Electronegativity Equalization Method: Parameterization and Validation for Large Sets of Organic, Organohalogene and Organometal Molecule

PubMed Central

Vařeková, Radka Svobodová; Jiroušková, Zuzana; Vaněk, Jakub; Suchomel, Šimon; Koča, Jaroslav

2007-01-01

The Electronegativity Equalization Method (EEM) is a fast approach for charge calculation. A challenging part of the EEM is the parameterization, which is performed using ab initio charges obtained for a set of molecules. The goal of our work was to perform the EEM parameterization for selected sets of organic, organohalogen and organometal molecules. We have performed the most robust parameterization published so far. The EEM parameterization was based on 12 training sets selected from a database of predicted 3D structures (NCI DIS) and from a database of crystallographic structures (CSD). Each set contained from 2000 to 6000 molecules. We have shown that the number of molecules in the training set is very important for quality of the parameters. We have improved EEM parameters (STO-3G MPA charges) for elements that were already parameterized, specifically: C, O, N, H, S, F and Cl. The new parameters provide more accurate charges than those published previously. We have also developed new parameters for elements that were not parameterized yet, specifically for Br, I, Fe and Zn. We have also performed crossover validation of all obtained parameters using all training sets that included relevant elements and confirmed that calculated parameters provide accurate charges.

Reproduction numbers for epidemic models with households and other social structures. I. Definition and calculation of R0

PubMed Central

Pellis, Lorenzo; Ball, Frank; Trapman, Pieter

2012-01-01

The basic reproduction number R0 is one of the most important quantities in epidemiology. However, for epidemic models with explicit social structure involving small mixing units such as households, its definition is not straightforward and a wealth of other threshold parameters has appeared in the literature. In this paper, we use branching processes to define R0, we apply this definition to models with households or other more complex social structures and we provide methods for calculating it. PMID:22085761

Quantifying Adventitious Error in a Covariance Structure as a Random Effect

PubMed Central

Wu, Hao; Browne, Michael W.

2017-01-01

We present an approach to quantifying errors in covariance structures in which adventitious error, identified as the process underlying the discrepancy between the population and the structured model, is explicitly modeled as a random effect with a distribution, and the dispersion parameter of this distribution to be estimated gives a measure of misspecification. Analytical properties of the resultant procedure are investigated and the measure of misspecification is found to be related to the RMSEA. An algorithm is developed for numerical implementation of the procedure. The consistency and asymptotic sampling distributions of the estimators are established under a new asymptotic paradigm and an assumption weaker than the standard Pitman drift assumption. Simulations validate the asymptotic sampling distributions and demonstrate the importance of accounting for the variations in the parameter estimates due to adventitious error. Two examples are also given as illustrations. PMID:25813463

Temperature-independent fiber-Bragg-grating-based atmospheric pressure sensor

NASA Astrophysics Data System (ADS)

Zhang, Zhiguo; Shen, Chunyan; Li, Luming

2018-03-01

Atmospheric pressure is an important way to achieve a high degree of measurement for modern aircrafts, moreover, it is also an indispensable parameter in the meteorological telemetry system. With the development of society, people are increasingly concerned about the weather. Accurate and convenient atmospheric pressure parameters can provide strong support for meteorological analysis. However, electronic atmospheric pressure sensors currently in application suffer from several shortcomings. After an analysis and discussion, we propose an innovative structural design, in which a vacuum membrane box and a temperature-independent strain sensor based on an equal strength cantilever beam structure and fiber Bragg grating (FBG) sensors are used. We provide experimental verification of that the atmospheric pressure sensor device has the characteristics of a simple structure, lack of an external power supply, automatic temperature compensation, and high sensitivity. The sensor system has good sensitivity, which can be up to 100 nm/MPa, and repeatability. In addition, the device exhibits desired hysteresis.

Effect of power and type of substrate on calcium-phosphate coating morphology and microhardness

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

Kulyashova, Ksenia, E-mail: kseniya@ispms.tsc.ru; Glushko, Yurii, E-mail: glushko@ispms.tsc.ru; Sharkeev, Yurii, E-mail: sharkeev@ispms.tsc.ru

2015-10-27

As known, the influence of the different sputtering process parameters and type of substrate on structure of the deposited coating is important to identify, because these parameters are significantly affected on structure of coating. The studies of the morphology and microhardness of calcium-phosphate (CaP) coatings formed and obtained on the surface of titanium, zirconium, titanium and niobium alloy for different values of the power of radio frequency discharge are presented. The increase in the radio frequency (rf) magnetron discharge leads to the formation of a larger grain structure of the coating. The critical depths of indentation for coatings determining themore » value of their microhardness have been estimated. Mechanical properties of the composite material on the basis of the bioinert substrate metal and CaP coatings are superior to the properties of the separate components that make up this composite material.« less

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.

Construction of robust dynamic genome-scale metabolic model structures of Saccharomyces cerevisiae through iterative re-parameterization.

PubMed

Sánchez, Benjamín J; Pérez-Correa, José R; Agosin, Eduardo

2014-09-01

Dynamic flux balance analysis (dFBA) has been widely employed in metabolic engineering to predict the effect of genetic modifications and environmental conditions in the cell׳s metabolism during dynamic cultures. However, the importance of the model parameters used in these methodologies has not been properly addressed. Here, we present a novel and simple procedure to identify dFBA parameters that are relevant for model calibration. The procedure uses metaheuristic optimization and pre/post-regression diagnostics, fixing iteratively the model parameters that do not have a significant role. We evaluated this protocol in a Saccharomyces cerevisiae dFBA framework calibrated for aerobic fed-batch and anaerobic batch cultivations. The model structures achieved have only significant, sensitive and uncorrelated parameters and are able to calibrate different experimental data. We show that consumption, suboptimal growth and production rates are more useful for calibrating dynamic S. cerevisiae metabolic models than Boolean gene expression rules, biomass requirements and ATP maintenance. Copyright © 2014 International Metabolic Engineering Society. Published by Elsevier Inc. All rights reserved.

Free energy minimization to predict RNA secondary structures and computational RNA design.

PubMed

Churkin, Alexander; Weinbrand, Lina; Barash, Danny

2015-01-01

Determining the RNA secondary structure from sequence data by computational predictions is a long-standing problem. Its solution has been approached in two distinctive ways. If a multiple sequence alignment of a collection of homologous sequences is available, the comparative method uses phylogeny to determine conserved base pairs that are more likely to form as a result of billions of years of evolution than by chance. In the case of single sequences, recursive algorithms that compute free energy structures by using empirically derived energy parameters have been developed. This latter approach of RNA folding prediction by energy minimization is widely used to predict RNA secondary structure from sequence. For a significant number of RNA molecules, the secondary structure of the RNA molecule is indicative of its function and its computational prediction by minimizing its free energy is important for its functional analysis. A general method for free energy minimization to predict RNA secondary structures is dynamic programming, although other optimization methods have been developed as well along with empirically derived energy parameters. In this chapter, we introduce and illustrate by examples the approach of free energy minimization to predict RNA secondary structures.

Evaluation of Ultrasonic Fiber Structure Extraction Technique Using Autopsy Specimens of Liver

NASA Astrophysics Data System (ADS)

Yamaguchi, Tadashi; Hirai, Kazuki; Yamada, Hiroyuki; Ebara, Masaaki; Hachiya, Hiroyuki

2005-06-01

It is very important to diagnose liver cirrhosis noninvasively and correctly. In our previous studies, we proposed a processing technique to detect changes in liver tissue in vivo. In this paper, we propose the evaluation of the relationship between liver disease and echo information using autopsy specimens of a human liver in vitro. It is possible to verify the function of a processing parameter clearly and to compare the processing result and the actual human liver tissue structure by in vitro experiment. In the results of our processing technique, information that did not obey a Rayleigh distribution from the echo signal of the autopsy liver specimens was extracted depending on changes in a particular processing parameter. The fiber tissue structure of the same specimen was extracted from a number of histological images of stained tissue. We constructed 3D structures using the information extracted from the echo signal and the fiber structure of the stained tissue and compared the two. By comparing the 3D structures, it is possible to evaluate the relationship between the information that does not obey a Rayleigh distribution of the echo signal and the fibrosis structure.

Yes, one can obtain better quality structures from routine X-ray data collection.

PubMed

Sanjuan-Szklarz, W Fabiola; Hoser, Anna A; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof

2016-01-01

Single-crystal X-ray diffraction structural results for benzidine dihydrochloride, hydrated and protonated N,N,N,N-peri(dimethylamino)naphthalene chloride, triptycene, dichlorodimethyltriptycene and decamethylferrocene have been analysed. A critical discussion of the dependence of structural and thermal parameters on resolution for these compounds is presented. Results of refinements against X-ray data, cut off to different resolutions from the high-resolution data files, are compared to structural models derived from neutron diffraction experiments. The Independent Atom Model (IAM) and the Transferable Aspherical Atom Model (TAAM) are tested. The average differences between the X-ray and neutron structural parameters (with the exception of valence angles defined by H atoms) decrease with the increasing 2θmax angle. The scale of differences between X-ray and neutron geometrical parameters can be significantly reduced when data are collected to the higher, than commonly used, 2θmax diffraction angles (for Mo Kα 2θmax > 65°). The final structural and thermal parameters obtained for the studied compounds using TAAM refinement are in better agreement with the neutron values than the IAM results for all resolutions and all compounds. By using TAAM, it is still possible to obtain accurate results even from low-resolution X-ray data. This is particularly important as TAAM is easy to apply and can routinely be used to improve the quality of structural investigations [Dominiak (2015 ▸). LSDB from UBDB. University of Buffalo, USA]. We can recommend that, in order to obtain more adequate (more accurate and precise) structural and displacement parameters during the IAM model refinement, data should be collected up to the larger diffraction angles, at least, for Mo Kα radiation to 2θmax = 65° (sin θmax/λ < 0.75 Å(-1)). The TAAM approach is a very good option to obtain more adequate results even using data collected to the lower 2θmax angles. Also the results of translation-libration-screw (TLS) analysis and vibrational entropy values are more reliable for 2θmax > 65°.

Set-base dynamical parameter estimation and model invalidation for biochemical reaction networks.

PubMed

Rumschinski, Philipp; Borchers, Steffen; Bosio, Sandro; Weismantel, Robert; Findeisen, Rolf

2010-05-25

Mathematical modeling and analysis have become, for the study of biological and cellular processes, an important complement to experimental research. However, the structural and quantitative knowledge available for such processes is frequently limited, and measurements are often subject to inherent and possibly large uncertainties. This results in competing model hypotheses, whose kinetic parameters may not be experimentally determinable. Discriminating among these alternatives and estimating their kinetic parameters is crucial to improve the understanding of the considered process, and to benefit from the analytical tools at hand. In this work we present a set-based framework that allows to discriminate between competing model hypotheses and to provide guaranteed outer estimates on the model parameters that are consistent with the (possibly sparse and uncertain) experimental measurements. This is obtained by means of exact proofs of model invalidity that exploit the polynomial/rational structure of biochemical reaction networks, and by making use of an efficient strategy to balance solution accuracy and computational effort. The practicability of our approach is illustrated with two case studies. The first study shows that our approach allows to conclusively rule out wrong model hypotheses. The second study focuses on parameter estimation, and shows that the proposed method allows to evaluate the global influence of measurement sparsity, uncertainty, and prior knowledge on the parameter estimates. This can help in designing further experiments leading to improved parameter estimates.

Set-base dynamical parameter estimation and model invalidation for biochemical reaction networks

PubMed Central

2010-01-01

Background Mathematical modeling and analysis have become, for the study of biological and cellular processes, an important complement to experimental research. However, the structural and quantitative knowledge available for such processes is frequently limited, and measurements are often subject to inherent and possibly large uncertainties. This results in competing model hypotheses, whose kinetic parameters may not be experimentally determinable. Discriminating among these alternatives and estimating their kinetic parameters is crucial to improve the understanding of the considered process, and to benefit from the analytical tools at hand. Results In this work we present a set-based framework that allows to discriminate between competing model hypotheses and to provide guaranteed outer estimates on the model parameters that are consistent with the (possibly sparse and uncertain) experimental measurements. This is obtained by means of exact proofs of model invalidity that exploit the polynomial/rational structure of biochemical reaction networks, and by making use of an efficient strategy to balance solution accuracy and computational effort. Conclusions The practicability of our approach is illustrated with two case studies. The first study shows that our approach allows to conclusively rule out wrong model hypotheses. The second study focuses on parameter estimation, and shows that the proposed method allows to evaluate the global influence of measurement sparsity, uncertainty, and prior knowledge on the parameter estimates. This can help in designing further experiments leading to improved parameter estimates. PMID:20500862

[Determination of solubility parameters for asymmetrical dicationic ionic liquids by inverse gas chromatography].

PubMed

Wang, Jun; Yang, Xuzhao; Wu, Jinchao; Song, Hao; Zou, Wenyuan

2015-12-01

Inverse gas chromatographic (IGC) technology was used to determine the solubility parameters of three asymmetrical dicationic ionic liquids ([ PyC5Pi] [ NTf2]2, [MpC5Pi] [NTf2]2 and [PyC6Pi] [NTf2]2) at 343.15-363.15 K. Five alkanes were applied as test probes including octane (n-C8) , decane (n-C10), dodecane (n-C12), tetradecane (n-C14), hexadecane (n-C16). Some thermodynamic parameters were obtained by IGC data analysis, such as the specific retention volumes of the solvents (V0(g)), the molar enthalpies of sorption (ΔHs(1)), the partial molar enthalpies of mixing at infinite dilution (ΔH∞91)), the molar enthalpies of vaporization (ΔH)v)), the activity coefficients at infinite dilution (Ω∞(1)), and Flory-Huggins interaction parameters (χ∞(12)) between ionic liquids and probes. The solubility parameters (δ2) of the three dicationic ionic liquids at room temperature (298.15 K) were 28.52-32.66 (J x cm(-3)) ½. The solubility parameters (δ2) of cationic structure with 4-methyl morpholine are bigger than those of the cationic structure with pyridine. The bigger the solubility parameter (δ2) is, the more the carbon numbers of linking group of the ionic liquids are. The results are of great importance to the study of the solution behavior and the applications of ionic liquid.

Surface relief model for photopolymers without cover plating.

PubMed

Gallego, S; Márquez, A; Ortuño, M; Francés, J; Marini, S; Beléndez, A; Pascual, I

2011-05-23

Relief surface changes provide interesting possibilities for storing diffractive optical elements on photopolymers and are an important source of information to characterize and understand the material behaviour. In this paper we present a 3-dimensional model based on direct measurements of parameters to predict the relief structures generated on the material. This model is successfully applied to different photopolymers with different values of monomer diffusion. The importance of monomer diffusion in depth is also discussed.

Morphological Control of Co3O4 and Its Photocatalytic Properties

EPA Science Inventory

Cobaltosic oxide (Co3O4), a p-type semiconductor, belongs to the normal spinel crystal structure based on a cubic close packing array of oxide ions. The size, surface, geometry, and crystal phase of catalysts are important parameters for controlling their chemical, optical, and ...

Intercomparison of 7 Planetary Boundary-Layer/Surface-Layer Physics Schemes over Complex Terrain for Battlefield Situational Awareness

DTIC Science & Technology

This study considers the performance of 7 of the Weather Research and Forecast model boundary-layer (BL) parameterization schemes in a complex...schemes performed best. The surface parameters, planetary BL structure, and vertical profiles are important for US Army Research Laboratory

Results from a first production of enhanced Silicon Sensor Test Structures produced by ITE Warsaw

NASA Astrophysics Data System (ADS)

Bergauer, T.; Dragicevic, M.; Frey, M.; Grabiec, P.; Grodner, M.; Hänsel, S.; Hartmann, F.; Hoffmann, K.-H.; Hrubec, J.; Krammer, M.; Kucharski, K.; Macchiolo, A.; Marczewski, J.

2009-01-01

Monitoring the manufacturing process of silicon sensors is essential to ensure stable quality of the produced detectors. During the CMS silicon sensor production we were utilising small Test Structures (TS) incorporated on the cut-away of the wafers to measure certain process-relevant parameters. Experience from the CMS production and quality assurance led to enhancements of these TS. Another important application of TS is the commissioning of new vendors. The measurements provide us with a good understanding of the capabilities of a vendor's process. A first batch of the new TS was produced at the Institute of Electron Technology in Warsaw Poland. We will first review the improvements to the original CMS test structures and then discuss a selection of important measurements performed on this first batch.

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.

Towards Coupling of Macroseismic Intensity with Structural Damage Indicators

NASA Astrophysics Data System (ADS)

Kouteva, Mihaela; Boshnakov, Krasimir

2016-04-01

Knowledge on basic data of ground motion acceleration time histories during earthquakes is essential to understanding the earthquake resistant behaviour of structures. Peak and integral ground motion parameters such as peak ground motion values (acceleration, velocity and displacement), measures of the frequency content of ground motion, duration of strong shaking and various intensity measures play important roles in seismic evaluation of existing facilities and design of new systems. Macroseismic intensity is an earthquake measure related to seismic hazard and seismic risk description. Having detailed ideas on the correlations between the earthquake damage potential and macroseismic intensity is an important issue in engineering seismology and earthquake engineering. Reliable earthquake hazard estimation is the major prerequisite to successful disaster risk management. The usage of advanced earthquake engineering approaches for structural response modelling is essential for reliable evaluation of the accumulated damages in the existing buildings and structures due to the history of seismic actions, occurred during their lifetime. Full nonlinear analysis taking into account single event or series of earthquakes and the large set of elaborated damage indices are suitable contemporary tools to cope with this responsible task. This paper presents some results on the correlation between observational damage states, ground motion parameters and selected analytical damage indices. Damage indices are computed on the base of nonlinear time history analysis of test reinforced structure, characterising the building stock of the Mediterranean region designed according the earthquake resistant requirements in mid XX-th century.

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.

Research of carbon composite material for nonlinear finite element method

NASA Astrophysics Data System (ADS)

Kim, Jung Ho; Garg, Mohit; Kim, Ji Hoon

2012-04-01

Works on the absorption of collision energy in the structural members are carried out widely with various material and cross-sections. And, with ever increasing safety concerns, they are presently applied in various fields including railroad trains, air crafts and automobiles. In addition to this, problem of lighting structural members became important subject by control of exhaust gas emission, fuel economy and energy efficiency. CFRP(Carbon Fiber Reinforced Plastics) usually is applying the two primary structural members because of different result each design parameter as like stacking thickness, stacking angle, moisture absorption ect. We have to secure the data for applying primary structural members. But it always happens to test design parameters each for securing the data. So, it has much more money and time. We can reduce the money and the time, if can ensure the CFRP material properties each design parameters. In this study, we experiment the coupon test each tension, compression and shear using CFRP prepreg sheet and simulate non-linear analyze at the sources - test result, Caron longitudinal modulus and matrix poisson's ratio using GENOAMQC is specialized at Composite analysis. And then we predict the result that specimen manufacture changing stacking angle and experiment in such a way of test method using GENOA-MCQ.

Water structure and its influence on the flotation of carbonate and bicarbonate salts.

PubMed

Ozdemir, O; Celik, M S; Nickolov, Z S; Miller, J D

2007-10-15

Interfacial water structure is a most important parameter that influences the collector adsorption by salt minerals such as borax, potash and trona. According to previous studies, salts can be classified as water structure makers and water structure breakers. Water structure making and breaking properties of salt minerals in their saturated brine solutions are essential to explain their flotation behavior. In this work, water structure making-breaking studies in solutions of carbonate and bicarbonate salts (Na(2)CO(3), K(2)CO(3), NaHCO(3) and NH(4)HCO(3)) in 4 wt% D(2)O in H(2)O mixtures have been performed by FTIR analysis of the OD stretching band. This method reveals a microscopic picture of the water structure making/breaking character of the salts in terms of the hydrogen bonding between the water molecules in solution. The results from the vibrational spectroscopic studies demonstrate that carbonate salts (Na(2)CO(3) and K(2)CO(3)) act as strong structure makers, whereas bicarbonate salts (NaHCO(3) and NH(4)HCO(3)) act as weak structure makers. In addition, the changes in the OD band parameters of carbonate and bicarbonate salt solutions are in agreement with the viscosity characteristics of their solutions.

Characteristic evaluation of process parameters of friction stir welding of aluminium 2024 hybrid composites

NASA Astrophysics Data System (ADS)

Sadashiva, M.; Shivanand, H. K.; Vidyasagar, H. N.

2018-04-01

The Current work is aimed to investigate the effect of process parameters in friction stir welding of Aluminium 2024 base alloy and Aluminium 2024 matrix alloy reinforced with E Glass and Silicon Carbide reinforcements. The process involved a set of synthesis techniques incorporating stir casting methodology resulting in fabrication of the composite material. This composite material that is synthesized is then machined to obtain a plate of dimensions 100 mm * 50 mm * 6 mm. The plate is then friction stir welded at different set of parameters viz. the spindle speed of 600 rpm, 900 rpm and 1200 rpm and feed rate of 40 mm/min, 80 mm/min and 120 mm/min for analyzing the process capability. The study of the given set of parameters is predominantly important to understand the physics of the process that may lead to better properties of the joint, which is very much important in perspective to its use in advanced engineering applications, especially in aerospace domain that uses Aluminium 2024 alloy for wing and fuselage structures under tension.

Modeling of dispersion and nonlinear characteristics of tapered photonic crystal fibers for applications in nonlinear optics

NASA Astrophysics Data System (ADS)

Pakarzadeh, H.; Rezaei, S. M.

2016-01-01

In this article, we investigate for the first time the dispersion and the nonlinear characteristics of the tapered photonic crystal fibers (PCFs) as a function of length z, via solving the eigenvalue equation of the guided mode using the finite-difference frequency-domain method. Since the structural parameters such as the air-hole diameter and the pitch of the microstructured cladding change along the tapered PCFs, dispersion and nonlinear properties change with the length as well. Therefore, it is important to know the exact behavior of such fiber parameters along z which is necessary for nonlinear optics applications. We simulate the z dependency of the zero-dispersion wavelength, dispersion slope, effective mode area, nonlinear parameter, and the confinement loss along the tapered PCFs and propose useful relations for describing dispersion and nonlinear parameters. The results of this article, which are in a very good agreement with the available experimental data, are important for simulating pulse propagation as well as investigating nonlinear effects such as supercontinuum generation and parametric amplification in tapered PCFs.

Do Quercus ilex Woodlands Undergo Abrupt Non-linear Changes in their Functional Dynamics in Response to Human Disturbance and Climatic Variation?

NASA Astrophysics Data System (ADS)

Bochet, E.; García-Fayos, P.; Molina, M. J.; Moreno de las Heras, M.; Espigares, T.; Nicolau, J. M.; Monleon, V. J.

2017-12-01

Theoretical models predict that drylands are particularly prone to suffer critical transitions with abrupt non-linear changes in their structure and functions as a result of the existing complex interactions between climatic fluctuations and human disturbances. How drylands undergo functional change has become an important issue in ecology which needs empirical data to validate theoretical models. We aim at determining the response of Mediterranean holm oak woodlands to human disturbance in three different climatic areas from Eastern Spain, under the hypothesis that semiarid and dry-transition landscapes are more prone to suffer abrupt functional changes than sub-humid ones. We used (a) remote-sensing estimations of precipitation-use-efficiency (PUE) from enhanced vegetation index (EVI) observations performed in 231 x 231 m plots of the Moderate Resolution Imaging Spectroradiometer (MODIS); (b) soil parameter (enzyme activity, organic matter) and (c) vegetation parameter (functional groups) determinations from soil sampling and vegetation surveys, respectively, performed in the same plots. We analyzed and compared the shape of the functional change (in terms of PUE, soil and vegetation parameters) in response to human disturbance intensity for our holm oak sites in the three climatic areas. Although no threshold of abrupt change is observed, important differences in the functional response of holm oak woodlands to disturbance exist between climatic conditions. Overall, semiarid and dry-transition woodlands suffer a non-linear functional decrease in terms of PUE, soil organic matter and enzyme activity with disturbance intensity. Differently, sub-humid woodlands experience a linear decrease of PUE with disturbance intensity and an increase of both soil parameters at high disturbance intensities after an important decrease at low disturbance intensities. The structural change from woody- to herbaceous-dominated landscapes in sub-humid areas explains the recovery of the functional state of the system at high disturbance intensities. This structural change in the vegetation provides resilience to sub-humid woodlands at high intensity levels where semiarid and dry-transition woodlands suffer a pronounced degradation.

Positron Annihilation Measurements of High Temperature Superconductors

NASA Astrophysics Data System (ADS)

Jung, Kang

1995-01-01

The temperature dependence of positron annihilation parameters has been measured for basic YBCO, Dy-doped, and Pr-doped superconducting compounds. The physical properties, such as crystal structure, electrical resistance, and critical temperature, have been studied for all samples. In the basic YBCO and Dy-doped samples, the defect -related lifetime component tau_{2 } was approximately constant from room temperature to above the critical temperature and then showed a step -like decrease in the temperature range 90K { ~} 40K. No significant temperature dependence was found in the short- and long-lifetime components, tau_{1} and tau_{3}. The x-ray diffraction data showed that the crystal structure of these two samples was almost the same. These results indicated that the electronic structure changed below the critical temperature. No transition was observed in the Pr-doped YBCO sample. The advanced computer program "PFPOSFIT" for positron lifetime analysis was modified to run on the UNIX system of the University of Utah. The destruction of superconductivity with Pr doping may be due to mechanisms such as hole filling or hole localization of the charge carriers and may be related to the valence state of the Pr ion. One-parameter analyses like the positron mean lifetime parameter and the Doppler line shape parameter S also have been studied. It was found that a transition in Doppler line shape parameter S was associated with the superconducting transition temperature in basic YBCO, Dy -doped, and 0.5 Pr-doped samples, whereas no transition was observed in the nonsuperconducting Pr-doped sample. The Doppler results indicate that the average electron momentum at the annihilation sites increases as temperature is lowered across the superconducting transition range and that electronic structure change plays an important role in high temperature superconductivity.

Prediction of compressibility parameters of the soils using artificial neural network.

PubMed

Kurnaz, T Fikret; Dagdeviren, Ugur; Yildiz, Murat; Ozkan, Ozhan

2016-01-01

The compression index and recompression index are one of the important compressibility parameters to determine the settlement calculation for fine-grained soil layers. These parameters can be determined by carrying out laboratory oedometer test on undisturbed samples; however, the test is quite time-consuming and expensive. Therefore, many empirical formulas based on regression analysis have been presented to estimate the compressibility parameters using soil index properties. In this paper, an artificial neural network (ANN) model is suggested for prediction of compressibility parameters from basic soil properties. For this purpose, the input parameters are selected as the natural water content, initial void ratio, liquid limit and plasticity index. In this model, two output parameters, including compression index and recompression index, are predicted in a combined network structure. As the result of the study, proposed ANN model is successful for the prediction of the compression index, however the predicted recompression index values are not satisfying compared to the compression index.

Parameter optimization on the convergence surface of path simulations

NASA Astrophysics Data System (ADS)

Chandrasekaran, Srinivas Niranj

Computational treatments of protein conformational changes tend to focus on the trajectories themselves, despite the fact that it is the transition state structures that contain information about the barriers that impose multi-state behavior. PATH is an algorithm that computes a transition pathway between two protein crystal structures, along with the transition state structure, by minimizing the Onsager-Machlup action functional. It is rapid but depends on several unknown input parameters whose range of different values can potentially generate different transition-state structures. Transition-state structures arising from different input parameters cannot be uniquely compared with those generated by other methods. I outline modifications that I have made to the PATH algorithm that estimates these input parameters in a manner that circumvents these difficulties, and describe two complementary tests that validate the transition-state structures found by the PATH algorithm. First, I show that although the PATH algorithm and two other approaches to computing transition pathways produce different low-energy structures connecting the initial and final ground-states with the transition state, all three methods agree closely on the configurations of their transition states. Second, I show that the PATH transition states are close to the saddle points of free-energy surfaces connecting initial and final states generated by replica-exchange Discrete Molecular Dynamics simulations. I show that aromatic side-chain rearrangements create similar potential energy barriers in the transition-state structures identified by PATH for a signaling protein, a contractile protein, and an enzyme. Finally, I observed, but cannot account for, the fact that trajectories obtained for all-atom and Calpha-only simulations identify transition state structures in which the Calpha atoms are in essentially the same positions. The consistency between transition-state structures derived by different algorithms for unrelated protein systems argues that although functionally important protein conformational change trajectories are to a degree stochastic, they nonetheless pass through a well-defined transition state whose detailed structural properties can rapidly be identified using PATH. In the end, I outline the strategies that could enhance the efficiency and applicability of PATH.

Sensitivities of Tropical Cyclones to Surface Friction and the Coriolis Parameter in a 2-D Cloud-Resolving Model

NASA Technical Reports Server (NTRS)

Chao, Winston C.; Chen, Baode; Tao, Wei-Kuo; Lau, William K. M. (Technical Monitor)

2002-01-01

The sensitivities to surface friction and the Coriolis parameter in tropical cyclogenesis are studied using an axisymmetric version of the Goddard cloud ensemble model. Our experiments demonstrate that tropical cyclogenesis can still occur without surface friction. However, the resulting tropical cyclone has very unrealistic structure. Surface friction plays an important role of giving the tropical cyclones their observed smaller size and diminished intensity. Sensitivity of the cyclogenesis process to surface friction. in terms of kinetic energy growth, has different signs in different phases of the tropical cyclone. Contrary to the notion of Ekman pumping efficiency, which implies a preference for the highest Coriolis parameter in the growth rate if all other parameters are unchanged, our experiments show no such preference.

Structural short-range order of the β-Ti phase in bulk Ti-Fe-(Sn) nanoeutectic composites

NASA Astrophysics Data System (ADS)

Das, J.; Eckert, J.; Theissmann, R.

2006-12-01

The authors report lattice distortion and "ω-like" structural short-range order (SRO) of the β-Ti phase in a Ti-Fe-(Sn) bulk nanoeutectic composite prepared by slow cooling from the melt. The nanoeuetctic phases are chemically homogeneous, but the addition of Sn releases the local lattice strain, modifies the structural SRO, and prevents the formation of stacking faults in the body centered cubic (bcc) β-Ti phase resulting in improved plastic deformability. The elastic properties and the structural SRO of the β-Ti phase are proposed to be important parameters for developing advanced high strength, ductile Ti-base nanocomposite alloys.

Characterizing ceramics and the interfacial adhesion to resin: I - The relationship of microstructure, composition, properties and fractography.

PubMed

Della Bona, Alvaro

2005-03-01

The appeal of ceramics as structural dental materials is based on their light weight, high hardness values, chemical inertness, and anticipated unique tribological characteristics. A major goal of current ceramic research and development is to produce tough, strong ceramics that can provide reliable performance in dental applications. Quantifying microstructural parameters is important to develop structure/property relationships. Quantitative microstructural analysis provides an association among the constitution, physical properties, and structural characteristics of materials. Structural reliability of dental ceramics is a major factor in the clinical success of ceramic restorations. Complex stress distributions are present in most practical conditions and strength data alone cannot be directly extrapolated to predict structural performance.

Switchable Scattering Meta-Surfaces for Broadband Terahertz Modulation

PubMed Central

Unlu, M.; Hashemi, M. R.; Berry, C. W.; Li, S.; Yang, S.-H.; Jarrahi, M.

2014-01-01

Active tuning and switching of electromagnetic properties of materials is of great importance for controlling their interaction with electromagnetic waves. In spite of their great promise, previously demonstrated reconfigurable metamaterials are limited in their operation bandwidth due to their resonant nature. Here, we demonstrate a new class of meta-surfaces that exhibit electrically-induced switching in their scattering parameters at room temperature and over a broad range of frequencies. Structural configuration of the subwavelength meta-molecules determines their electromagnetic response to an incident electromagnetic radiation. By reconfiguration of the meta-molecule structure, the strength of the induced electric field and magnetic field in the opposite direction to the incident fields are varied and the scattering parameters of the meta-surface are altered, consequently. We demonstrate a custom-designed meta-surface with switchable scattering parameters at a broad range of terahertz frequencies, enabling terahertz intensity modulation with record high modulation depths and modulation bandwidths through a fully integrated, voltage-controlled device platform at room temperature. PMID:25028123

Magnetic evaluation of hydrogen pressures changes on MHD fluctuations in IR-T1 tokamak plasma

NASA Astrophysics Data System (ADS)

Alipour, Ramin; Ghanbari, Mohamad R.

2018-04-01

Identification of tokamak plasma parameters and investigation on the effects of each parameter on the plasma characteristics is important for the better understanding of magnetohydrodynamic (MHD) activities in the tokamak plasma. The effect of different hydrogen pressures of 1.9, 2.5 and 2.9 Torr on MHD fluctuations of the IR-T1 tokamak plasma was investigated by using of 12 Mirnov coils, singular value decomposition and wavelet analysis. The parameters such as plasma current, loop voltage, power spectrum density, energy percent of poloidal modes, dominant spatial structures and temporal structures of poloidal modes at different plasma pressures are plotted. The results indicate that the MHD activities at the pressure of 2.5 Torr are less than them at other pressures. It also has been shown that in the stable area of plasma and at the pressure of 2.5 Torr, the magnetic force and the force of plasma pressure are in balance with each other and the MHD activities are at their lowest level.

Effective Parameters in Axial Injection Suspension Plasma Spray Process of Alumina-Zirconia Ceramics

NASA Astrophysics Data System (ADS)

Tarasi, F.; Medraj, M.; Dolatabadi, A.; Oberste-Berghaus, J.; Moreau, C.

2008-12-01

Suspension plasma spray (SPS) is a novel process for producing nano-structured coatings with metastable phases using significantly smaller particles as compared to conventional thermal spraying. Considering the complexity of the system there is an extensive need to better understand the relationship between plasma spray conditions and resulting coating microstructure and defects. In this study, an alumina/8 wt.% yttria-stabilized zirconia was deposited by axial injection SPS process. The effects of principal deposition parameters on the microstructural features are evaluated using the Taguchi design of experiment. The microstructural features include microcracks, porosities, and deposition rate. To better understand the role of the spray parameters, in-flight particle characteristics, i.e., temperature and velocity were also measured. The role of the porosity in this multicomponent structure is studied as well. The results indicate that thermal diffusivity of the coatings, an important property for potential thermal barrier applications, is barely affected by the changes in porosity content.

Design of satellite flexibility experiments

NASA Technical Reports Server (NTRS)

Kaplan, M. H.; Hillard, S. E.

1977-01-01

A preliminary study has been completed to begin development of a flight experiment to measure spacecraft control/flexible structure interaction. The work reported consists of two phases: identification of appropriate structural parameters which can be associated with flexibility phenomena, and suggestions for the development of an experiment for a satellite configuration typical of near-future vehicles which are sensitive to such effects. Recommendations are made with respect to the type of data to be collected and instrumentation associated with these data. The approach consists of developing the equations of motion for a vehicle possessing a flexible solar array, then linearizing about some nominal motion of the craft. A set of solutions are assumed for array deflection using a continuous normal mode method and important parameters are exposed. Inflight and ground based measurements are distinguished. Interrelationships between these parameters, measurement techniques, and input requirements are discussed which assure minimization of special vehicle maneuvers and optimization of data to be obtained during the normal flight sequence.

Simulation and Experimental Studies on Grain Selection and Structure Design of the Spiral Selector for Casting Single Crystal Ni-Based Superalloy.

PubMed

Zhang, Hang; Xu, Qingyan

2017-10-27

Grain selection is an important process in single crystal turbine blades manufacturing. Selector structure is a control factor of grain selection, as well as directional solidification (DS). In this study, the grain selection and structure design of the spiral selector were investigated through experimentation and simulation. A heat transfer model and a 3D microstructure growth model were established based on the Cellular automaton-Finite difference (CA-FD) method for the grain selector. Consequently, the temperature field, the microstructure and the grain orientation distribution were simulated and further verified. The average error of the temperature result was less than 1.5%. The grain selection mechanisms were further analyzed and validated through simulations. The structural design specifications of the selector were suggested based on the two grain selection effects. The structural parameters of the spiral selector, namely, the spiral tunnel diameter ( d w ), the spiral pitch ( h b ) and the spiral diameter ( h s ), were studied and the design criteria of these parameters were proposed. The experimental and simulation results demonstrated that the improved selector could accurately and efficiently produce a single crystal structure.

Simulation and Experimental Studies on Grain Selection and Structure Design of the Spiral Selector for Casting Single Crystal Ni-Based Superalloy

PubMed Central

Zhang, Hang; Xu, Qingyan

2017-01-01

Grain selection is an important process in single crystal turbine blades manufacturing. Selector structure is a control factor of grain selection, as well as directional solidification (DS). In this study, the grain selection and structure design of the spiral selector were investigated through experimentation and simulation. A heat transfer model and a 3D microstructure growth model were established based on the Cellular automaton-Finite difference (CA-FD) method for the grain selector. Consequently, the temperature field, the microstructure and the grain orientation distribution were simulated and further verified. The average error of the temperature result was less than 1.5%. The grain selection mechanisms were further analyzed and validated through simulations. The structural design specifications of the selector were suggested based on the two grain selection effects. The structural parameters of the spiral selector, namely, the spiral tunnel diameter (dw), the spiral pitch (hb) and the spiral diameter (hs), were studied and the design criteria of these parameters were proposed. The experimental and simulation results demonstrated that the improved selector could accurately and efficiently produce a single crystal structure. PMID:29077067

Significance of Shear Wall in Multi-Storey Structure With Seismic Analysis

NASA Astrophysics Data System (ADS)

Bongilwar, Rajat; Harne, V. R.; Chopade, Aditya

2018-03-01

In past decades, shear walls are one of the most appropriate and important structural component in multi-storied building. Therefore, it would be very interesting to study the structural response and their systems in multi-storied structure. Shear walls contribute the stiffness and strength during earthquakes which are often neglected during design of structure and construction. This study shows the effect of shear walls which significantly affect the vulnerability of structures. In order to test this hypothesis, G+8 storey building was considered with and without shear walls and analyzed for various parameters like base shear, storey drift ratio, lateral displacement, bending moment and shear force. Significance of shear wall has been studied with the help of two models. First model is without shear wall i.e. bare frame and other another model is with shear wall considering opening also in it. For modeling and analysis of both the models, FEM based software ETABS 2016 were used. The analysis of all models was done using Equivalent static method. The comparison of results has been done based on same parameters like base shear, storey drift ratio, lateral displacement, bending moment and shear force.

Fatigue reassessment for lifetime extension of offshore wind monopile substructures

NASA Astrophysics Data System (ADS)

Ziegler, Lisa; Muskulus, Michael

2016-09-01

Fatigue reassessment is required to decide about lifetime extension of aging offshore wind farms. This paper presents a methodology to identify important parameters to monitor during the operational phase of offshore wind turbines. An elementary effects method is applied to analyze the global sensitivity of residual fatigue lifetimes to environmental, structural and operational parameters. Therefore, renewed lifetime simulations are performed for a case study which consists of a 5 MW turbine with monopile substructure in 20 m water depth. Results show that corrosion, turbine availability, and turbulence intensity are the most influential parameters. This can vary strongly for other settings (water depth, turbine size, etc.) making case-specific assessments necessary.

Polarized neutron scattering study of the multiple order parameter system NdB 4 [Polarized neutron scattering study on multiple order parameter system NdB 4

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

Metoki, Naoto; Yamauchi, Hiroki; Matsuda, Masaaki

Neutron polarization analysis has been carried out in order to clarify the magnetic structures of multiple order parameter f-electron system NdB 4. We confirmed the noncollinear “all-in all-out” structure (Γ 4) of the in-plane moment, which is in good agreement with our previous neutron powder diffraction study. We found that the magnetic moment along the c-axis m c showed diagonally antiferromagnetic structure (Γ 10), inconsistent with previously reported “vortex” structure (Γ 2). The microscopic mixture of these two structures with →q 0=(0,0,0) appears in phase II and remains stable in phases III and IV, where an incommensurate modulation coexists. Themore » unusual magnetic ordering is phenomenologically understood via Landau theory with the primary order parameter Γ 4 coupled with higher-order secondary order parameter Γ 10. The magnetic moments were estimated to be 1.8 ± 0.2 and 0.2 ± 0.05μ B at T = 7.5K for Γ 4 and Γ 10, respectively. We also found a long-period incommensurate modulation of the →q 1=(0,0,1/2) antiferromagnetic structure of mc with the propagation →q s1=(0.14,0.14,0.1) and →q s2=(0.2,0,0.1) in phase III and IV, respectively. The amplitude of sinusoidal modulation was about m c=1.0 ± 0.2μ B at T=1.5 K. The local (0,0,1/2) structure consists of in-plane ferromagnetic and out-of-plane antiferromagnetic coupling of m c, opposite to the coexisting Γ 10. The mc of Γ 10 is significantly enhanced up to 0.6μ B at T=1.5 K, which is accompanied by the incommensurate modulations. As a result, the Landau phenomenological approach indicates that the higher-order magnetic and/or multipole interactions based on the pseudoquartet f-electron state play important roles.« less

Polarized neutron scattering study of the multiple order parameter system NdB 4 [Polarized neutron scattering study on multiple order parameter system NdB 4

DOE PAGES

Metoki, Naoto; Yamauchi, Hiroki; Matsuda, Masaaki; ...

2018-05-17

Neutron polarization analysis has been carried out in order to clarify the magnetic structures of multiple order parameter f-electron system NdB 4. We confirmed the noncollinear “all-in all-out” structure (Γ 4) of the in-plane moment, which is in good agreement with our previous neutron powder diffraction study. We found that the magnetic moment along the c-axis m c showed diagonally antiferromagnetic structure (Γ 10), inconsistent with previously reported “vortex” structure (Γ 2). The microscopic mixture of these two structures with →q 0=(0,0,0) appears in phase II and remains stable in phases III and IV, where an incommensurate modulation coexists. Themore » unusual magnetic ordering is phenomenologically understood via Landau theory with the primary order parameter Γ 4 coupled with higher-order secondary order parameter Γ 10. The magnetic moments were estimated to be 1.8 ± 0.2 and 0.2 ± 0.05μ B at T = 7.5K for Γ 4 and Γ 10, respectively. We also found a long-period incommensurate modulation of the →q 1=(0,0,1/2) antiferromagnetic structure of mc with the propagation →q s1=(0.14,0.14,0.1) and →q s2=(0.2,0,0.1) in phase III and IV, respectively. The amplitude of sinusoidal modulation was about m c=1.0 ± 0.2μ B at T=1.5 K. The local (0,0,1/2) structure consists of in-plane ferromagnetic and out-of-plane antiferromagnetic coupling of m c, opposite to the coexisting Γ 10. The mc of Γ 10 is significantly enhanced up to 0.6μ B at T=1.5 K, which is accompanied by the incommensurate modulations. As a result, the Landau phenomenological approach indicates that the higher-order magnetic and/or multipole interactions based on the pseudoquartet f-electron state play important roles.« less

Testing the Visual Soil Assessment tool on Estonian farm fields

NASA Astrophysics Data System (ADS)

Reintam, Endla; Are, Mihkel; Selge, Are

2017-04-01

Soil quality estimation plays important role in decision making on farm as well on policy level. Sustaining the production ability and good health of the soil the chemical, physical and biological indicators should be taken into account. The system to use soil chemical parameters is usually quite well established in most European counties, including Estonia. However, measuring soil physical properties, such bulk density, porosity, penetration resistance, structural stability ect is time consuming, needs special tools and is highly weather dependent. In that reason these parameters are excluded from controllable quality parameters in policy in Estonia. Within the project "Interactive Soil Quality Assessment in Europe and China for Agricultural Productivity and Environmental Resilience" (iSQAPER) the visual soil assessment (VSA) tool was developed for easy detection of soil quality as well the different soil friendly agricultural management practices (AMP) were detected. The aim of current study was to test the VSA tool on Estonian farm fields under different management practices and compare the results with laboratory measurements. The main focus was set on soil physical parameters. Next to the VSA, the undisturbed soil samples were collected from the depth of 5-10 cm and 25-30 cm. The study revealed that results of a visually assessed soil physical parameters, such a soil structure, soil structural stability, soil porosity, presence of tillage pan, were confirmed by laboratory measurements in most cases. Soil water stable structure measurement on field (on 1 cm2 net in one 1 l box with 4-6 cm air dry clods for 5-10 min) underestimated very well structured soil on grassland and overestimated the structure aggregates stability of compacted soil. The slightly better soil quality was detected under no-tillage compared to ploughed soils. However, the ploughed soil got higher quality points compared with minimum tillage. The slurry application (organic manuring) had controversial impact - it increased the number of earthworms but decreased soil structural stability. Even the manuring with slurry increases organic matter amount in the soil, the compaction due to the use of heavy machinery during the application, especially on wet soil, reduces the positive effect of slurry.

Set statistics in conductive bridge random access memory device with Cu/HfO{sub 2}/Pt structure

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

Zhang, Meiyun; Long, Shibing, E-mail: longshibing@ime.ac.cn; Wang, Guoming

2014-11-10

The switching parameter variation of resistive switching memory is one of the most important challenges in its application. In this letter, we have studied the set statistics of conductive bridge random access memory with a Cu/HfO{sub 2}/Pt structure. The experimental distributions of the set parameters in several off resistance ranges are shown to nicely fit a Weibull model. The Weibull slopes of the set voltage and current increase and decrease logarithmically with off resistance, respectively. This experimental behavior is perfectly captured by a Monte Carlo simulator based on the cell-based set voltage statistics model and the Quantum Point Contact electronmore » transport model. Our work provides indications for the improvement of the switching uniformity.« less

Power Law Versus Exponential Form of Slow Crack Growth of Advanced Structural Ceramics: Dynamic Fatigue

NASA Technical Reports Server (NTRS)

Choi, Sung R.; Gyekenyesi, John P.

2002-01-01

The life prediction analysis based on an exponential crack velocity formulation was examined using a variety of experimental data on glass and advanced structural ceramics in constant stress-rate ("dynamic fatigue") and preload testing at ambient and elevated temperatures. The data fit to the strength versus In (stress rate) relation was found to be very reasonable for most of the materials. It was also found that preloading technique was equally applicable for the case of slow crack growth (SCG) parameter n > 30. The major limitation in the exponential crack velocity formulation, however, was that an inert strength of a material must be known priori to evaluate the important SCG parameter n, a significant drawback as compared to the conventional power-law crack velocity formulation.

A New Calibration Method for Commercial RGB-D Sensors.

PubMed

Darwish, Walid; Tang, Shenjun; Li, Wenbin; Chen, Wu

2017-05-24

Commercial RGB-D sensors such as Kinect and Structure Sensors have been widely used in the game industry, where geometric fidelity is not of utmost importance. For applications in which high quality 3D is required, i.e., 3D building models of centimeter‑level accuracy, accurate and reliable calibrations of these sensors are required. This paper presents a new model for calibrating the depth measurements of RGB-D sensors based on the structured light concept. Additionally, a new automatic method is proposed for the calibration of all RGB-D parameters, including internal calibration parameters for all cameras, the baseline between the infrared and RGB cameras, and the depth error model. When compared with traditional calibration methods, this new model shows a significant improvement in depth precision for both near and far ranges.

Pulsed laser deposition of lithium niobate thin films

NASA Astrophysics Data System (ADS)

Canale, L.; Girault-Di Bin, C.; Cosset, F.; Bessaudou, A.; Celerier, A.; Decossas, J.-Louis; Vareille, J.-C.

2000-12-01

Pulsed laser deposition of Lithium Niobate thin films onto sapphire (0001) substrates is reported. Thin films composition and structure have been determined using Rutherford Backscattermg Spectroscopy (RBS) and X-ray diffraction ( XRD) experiments. The influe:nce of deposition parameters such as substrate temperature, oxygen pressure and target to substrate distance on the composition and the structure of the films has been studied. Deposition temperature is found to be an important parameter which enables us to grow LiNbO3 films without the Li deficient phase LiNb3O8. Nearly stoichiometric thin fihns have been obtained for an oxygen pressure of 0. 1 Ton and a substrate temperature of 800°C. Under optimized conditions the (001) preferential orientation of growth, suitable for most optical applications, has been obtained.

Diseases that turn African hair silky.

PubMed

Ajose, Frances O A

2012-11-01

African hair in its natural state poses tenacious grooming challenges; consequently a large portion of the African cosmetic industry is focused on means to relax the tight curls of African hair to make the hair more manageable. In malnourished and hypoproteinemic states, African hair straightens in an uncomplimentary manner. Recently, we observed that in certain diseases African hair changes to a desirable silky wavy texture. To identify the diseases that turn African hair silky and their parameters we examined 5612 dermatology patients at a tertiary hospital in Nigeria. We then studied the clinical and basic laboratory parameters of those patients whose diseases were accompanied by the silky hair change. Silky hair change similar to the hair of the African neonatal child was observed in five diseases, namely AIDS, rheumatoid arthritis, systemic lupus erythematosus, pulmonary tuberculosis with cachexia, and Behçet's disease. Our study identified retrogression of African hair to the neonatal structure in five diseases. Anemia of chronic illness, high erythrocyte sedimentation rate, and mild hypocalcemia were significant laboratory parameters. This is an important observation, which should excite and advance research into the nature and structure of African hair. The causes of structural hair changes should include these five diseases. © 2012 The International Society of Dermatology.

Using global sensitivity analysis of demographic models for ecological impact assessment.

PubMed

Aiello-Lammens, Matthew E; Akçakaya, H Resit

2017-02-01

Population viability analysis (PVA) is widely used to assess population-level impacts of environmental changes on species. When combined with sensitivity analysis, PVA yields insights into the effects of parameter and model structure uncertainty. This helps researchers prioritize efforts for further data collection so that model improvements are efficient and helps managers prioritize conservation and management actions. Usually, sensitivity is analyzed by varying one input parameter at a time and observing the influence that variation has over model outcomes. This approach does not account for interactions among parameters. Global sensitivity analysis (GSA) overcomes this limitation by varying several model inputs simultaneously. Then, regression techniques allow measuring the importance of input-parameter uncertainties. In many conservation applications, the goal of demographic modeling is to assess how different scenarios of impact or management cause changes in a population. This is challenging because the uncertainty of input-parameter values can be confounded with the effect of impacts and management actions. We developed a GSA method that separates model outcome uncertainty resulting from parameter uncertainty from that resulting from projected ecological impacts or simulated management actions, effectively separating the 2 main questions that sensitivity analysis asks. We applied this method to assess the effects of predicted sea-level rise on Snowy Plover (Charadrius nivosus). A relatively small number of replicate models (approximately 100) resulted in consistent measures of variable importance when not trying to separate the effects of ecological impacts from parameter uncertainty. However, many more replicate models (approximately 500) were required to separate these effects. These differences are important to consider when using demographic models to estimate ecological impacts of management actions. © 2016 Society for Conservation Biology.

Structural and dynamic analysis of an ultra short intracavity directional coupler

NASA Astrophysics Data System (ADS)

Gravé, Ilan; Griffel, Giora; Daou, Youssef; Golan, Gadi

1997-01-01

A recently proposed intracavity directional coupler is analysed. Exact analytic expressions for important parameters such as the transmission ratio, the coupling length, and the photon lifetime are given. We show that by controlling the mirror reflectivities of the cavity, it is theoretically possible to reduce the coupling length to a zero limit. The photon lifetime, which governs the dynamic properties of the structure, sets an upper frequency limit of a few hundreds of GHz, which is well over the bandwidth limitation of microwave lumped or travelling wave electrodes. This novel family of intracavity couplers has important applications in the realization of integrated optics circuits for high-speed computing, data processing, and communication.

Regularities And Irregularities Of The Stark Parameters For Single Ionized Noble Gases

NASA Astrophysics Data System (ADS)

Peláez, R. J.; Djurovic, S.; Cirišan, M.; Aparicio, J. A.; Mar S.

2010-07-01

Spectroscopy of ionized noble gases has a great importance for the laboratory and astrophysical plasmas. Generally, spectra of inert gases are important for many physics areas, for example laser physics, fusion diagnostics, photoelectron spectroscopy, collision physics, astrophysics etc. Stark halfwidths as well as shifts of spectral lines are usually employed for plasma diagnostic purposes. For example atomic data of argon krypton and xenon will be useful for the spectral diagnostic of ITER. In addition, the software used for stellar atmosphere simulation like TMAP, and SMART require a large amount of atomic and spectroscopic data. Availability of these parameters will be useful for a further development of stellar atmosphere and evolution models. Stark parameters data of spectral lines can also be useful for verification of theoretical calculations and investigation of regularities and systematic trends of these parameters within a multiplet, supermultiplet or transition array. In the last years, different trends and regularities of Stark parameters (halwidths and shifts of spectral lines) have been analyzed. The conditions related with atomic structure of the element as well as plasma conditions are responsible for regular or irregular behaviors of the Stark parameters. The absence of very close perturbing levels makes Ne II as a good candidate for analysis of the regularities. Other two considered elements Kr II and Xe II with complex spectra present strong perturbations and in some cases an irregularities in Stark parameters appear. In this work we analyze the influence of the perturbations to Stark parameters within the multiplets.

Study and Optimization of Helicopter Subfloor Energy Absorption Structure with Foldcore Sandwich Structures

NASA Astrophysics Data System (ADS)

HuaZhi, Zhou; ZhiJin, Wang

2017-11-01

The intersection element is an important part of the helicopter subfloor structure. In order to improve the crashworthiness properties, the floor and the skin of the intersection element are replaced with foldcore sandwich structures. Foldcore is a kind of high-energy absorption structure. Compared with original structure, the new intersection element shows better buffering capacity and energy-absorption capacity. To reduce structure’s mass while maintaining the crashworthiness requirements satisfied, optimization of the intersection element geometric parameters is conducted. An optimization method using NSGA-II and Anisotropic Kriging is used. A significant CPU time saving can be obtained by replacing numerical model with Anisotropic Kriging surrogate model. The operation allows 17.15% reduce of the intersection element mass.

EPIC-Simulated and MODIS-Derived Leaf Area Index (LAI) Comparisons Across mMltiple Spatial Scales RSAD Oral Poster based session

EPA Science Inventory

Leaf Area Index (LAI) is an important parameter in assessing vegetation structure for characterizing forest canopies over large areas at broad spatial scales using satellite remote sensing data. However, satellite-derived LAI products can be limited by obstructed atmospheric cond...

Interplay between abiotic factors and species assemblages mediated by the ecosystem engineer Sabellaria alveolata (Annelida: Polychaeta)

NASA Astrophysics Data System (ADS)

Jones, Auriane G.; Dubois, Stanislas F.; Desroy, Nicolas; Fournier, Jérôme

2018-01-01

Sabellaria alveolata is a gregarious polychaete that uses sand particles to build three-dimensional structures known as reefs, fixed atop rocks or built on soft sediments. These structures are known to modify the local grain-size distribution and to host a highly diversified macrofauna, altered when the reef undergoes disturbances. The goal of this study was to investigate the different sedimentary and biological changes associated with the presence of a S. alveolata reef over two contrasting seasons (late winter and late summer), and how these changes were linked. Three different sediments were considered: the engineered sediment (the actual reef), the associated sediment (the soft sediment surrounding the reef structures) and a control soft sediment (i.e. no reef structures in close proximity). Univariate and multivariate comparisons of grain-size distribution, soft sediment characteristics (organic matter content, chlorophyll a, pheopigments and carbohydrate concentrations) and macrofauna were conducted between the different sediment types at both seasons and between the two seasons for each sediment type. A distance-based redundancy analyses (dbRDA) was used to investigate the link between the different environmental parameters and the macrofauna assemblages. Finally, we focused on a disturbance continuum of the engineered sediments proxied by an increase in the mud present in these sediments. The effects of a continuous and increasing disturbance on the associated fauna were investigated using pairwise beta diversity indices (Sørensen and Bray-Curtis dissimilarities and their decomposition into turnover and nestedness). Results showed a significant effect of the reef on the local sediment distribution (coarser sediments compared to the control) and on the benthic primary production (higher in the associated sediments). At both seasons, S. alveolata biomass and sediment principal mode were the environmental parameters which best differentiated the engineered, associated and control sediment assemblages. These two parameters are under the ecosystem engineer's influence stressing its importance in structuring benthic macrofauna. Furthermore, in late summer but not in late winter, presence/absence and abundance-based beta diversity were positively correlated to our disturbance proxy (mud content) a tendency driven by a species replacement and a rise in the associated fauna density. Our first set of results highlight the importance of S. alveolata reefs as benthic primary production enhancers via their physical structure and their biological activity. The results obtained using beta diversity indices emphasize the importance of recruitment in structuring the reef's macrofauna and - paradoxically - the ecological value of S. alveolata degraded forms as biodiversity and recruitment promoters.

Quantitative structural modeling on the wavelength interval (Δλ) in synchronous fluorescence spectroscopy

NASA Astrophysics Data System (ADS)

Samari, Fayezeh; Yousefinejad, Saeed

2017-11-01

Emission fluorescence spectroscopy has an extremely restricted scope of application to analyze of complex mixtures since its selectivity is reduced by the extensive spectral overlap. Synchronous fluorescence spectroscopy (SFS) is a technique enables us to analyze complex mixtures with overlapped emission and/or excitation spectra. The difference of excitation and emission wavelength of compounds (interval wavelength or Δλ) is an important characteristic in SFS. Thus a multi-parameter model was constructed to predict Δλ in 63 fluorescent compounds and the regression coefficient in training set, cross validation and test set were 0.88, 0.85 and 0.91 respectively. Furthermore, the applicability and validity of model were evaluated using different statistical methods such as y-scrambling and applicability domain. It was concluded that increasing average valence connectivity, number of Al2-NH functional group and Geary autocorrelation (lag 4) with electronegative weights can lead to increasing Δλ in the fluorescent compounds. The current study obtained an insight into the structural properties of compounds effective on their Δλ as an important parameter in SFS.

Thermodynamics of Boron Removal from Silicon Using CaO-MgO-Al2O3-SiO2 Slags

NASA Astrophysics Data System (ADS)

Jakobsson, Lars Klemet; Tangstad, Merete

2018-04-01

Slag refining is one of few metallurgical methods for removal of boron from silicon. It is important to know the thermodynamic properties of boron in slags to understand the refining process. The relation of the distribution coefficient of boron to the activity of silica, partial pressure of oxygen, and capacity of slags for boron oxide was investigated. The link between these parameters explains why the distribution coefficient of boron does not change much with changing slag composition. In addition, the thermodynamic properties of dilute boron oxide in CaO-MgO-Al2O3-SiO2 slags was determined. The ratio of the activity coefficient of boron oxide and silica was found to be the most important parameter for understanding changes in the distribution coefficient of boron for different slags. Finally, the relation between the activity coefficient of boron oxide and slag structure was investigated. It was found that the structure can explain how the distribution coefficient of boron changes depending on slag composition.

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

Developing a Graphical User Interface to Automate the Estimation and Prediction of Risk Values for Flood Protective Structures using Artificial Neural Network

NASA Astrophysics Data System (ADS)

Hasan, M.; Helal, A.; Gabr, M.

2014-12-01

In this project, we focus on providing a computer-automated platform for a better assessment of the potential failures and retrofit measures of flood-protecting earth structures, e.g., dams and levees. Such structures play an important role during extreme flooding events as well as during normal operating conditions. Furthermore, they are part of other civil infrastructures such as water storage and hydropower generation. Hence, there is a clear need for accurate evaluation of stability and functionality levels during their service lifetime so that the rehabilitation and maintenance costs are effectively guided. Among condition assessment approaches based on the factor of safety, the limit states (LS) approach utilizes numerical modeling to quantify the probability of potential failures. The parameters for LS numerical modeling include i) geometry and side slopes of the embankment, ii) loading conditions in terms of rate of rising and duration of high water levels in the reservoir, and iii) cycles of rising and falling water levels simulating the effect of consecutive storms throughout the service life of the structure. Sample data regarding the correlations of these parameters are available through previous research studies. We have unified these criteria and extended the risk assessment in term of loss of life through the implementation of a graphical user interface to automate input parameters that divides data into training and testing sets, and then feeds them into Artificial Neural Network (ANN) tool through MATLAB programming. The ANN modeling allows us to predict risk values of flood protective structures based on user feedback quickly and easily. In future, we expect to fine-tune the software by adding extensive data on variations of parameters.

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

Topological properties of microwave magnetoelectric fields.

PubMed

Berezin, M; Kamenetskii, E O; Shavit, R

2014-02-01

Collective excitations of electron spins in a ferromagnetic sample dominated by the magnetic dipole-dipole interaction strongly influence the field structure of microwave radiation. A small quasi-two-dimensional ferrite disk with magnetic-dipolar-mode (MDM) oscillation spectra can behave as a source of specific fields in vacuum, termed magnetoelectric (ME) fields. A coupling between the time-varying electric and magnetic fields in the ME-field structures is different from such a coupling in regular electromagnetic fields. The ME fields are characterized by strong energy confinement at a subwavelength region of microwave radiation, topologically distinctive power-flow vortices, and helicity parameters [E. O. Kamenetskii, R. Joffe, and R. Shavit, Phys. Rev. E 87, 023201 (2013)]. We study topological properties of microwave ME fields by loading a MDM ferrite particle with different dielectric samples. We establish a close connection between the permittivity parameters of dielectric environment and the topology of ME fields. We show that the topology of ME fields is strongly correlated with the Fano-resonance spectra observed at terminals of a microwave structure. We reveal specific thresholds in the Fano-resonance spectra appearing at certain permittivity parameters of dielectric samples. We show that ME fields originated from MDM ferrite disks can be distinguished by topological portraits of the helicity parameters and can have a torsion degree of freedom. Importantly, the ME-field phenomena can be viewed as implementations of space-time coordinate transformations on waves.

Polarized neutron scattering study of the multiple order parameter system NdB4

NASA Astrophysics Data System (ADS)

Metoki, N.; Yamauchi, H.; Matsuda, M.; Fernandez-Baca, J. A.; Watanuki, R.; Hagihala, M.

2018-05-01

Neutron polarization analysis has been carried out in order to clarify the magnetic structures of multiple order parameter f -electron system NdB4. We confirmed the noncollinear "all-in all-out" structure (Γ4) of the in-plane moment, which is in good agreement with our previous neutron powder diffraction study. We found that the magnetic moment along the c -axis mc showed diagonally antiferromagnetic structure (Γ10), inconsistent with previously reported "vortex" structure (Γ2). The microscopic mixture of these two structures with q⃗0=(0 ,0 ,0 ) appears in phase II and remains stable in phases III and IV, where an incommensurate modulation coexists. The unusual magnetic ordering is phenomenologically understood via Landau theory with the primary order parameter Γ4 coupled with higher-order secondary order parameter Γ10. The magnetic moments were estimated to be 1.8 ±0.2 and 0.2 ±0.05 μB at T =7.5 K for Γ4 and Γ10, respectively. We also found a long-period incommensurate modulation of the q⃗1=(0 ,0 ,1 /2 ) antiferromagnetic structure of mc with the propagation q⃗s 1=(0.14 ,0.14 ,0.1 ) and q⃗s 2=(0.2 ,0 ,0.1 ) in phase III and IV, respectively. The amplitude of sinusoidal modulation was about mc=1.0 ±0.2 μB at T =1.5 K. The local (0 ,0 ,1 /2 ) structure consists of in-plane ferromagnetic and out-of-plane antiferromagnetic coupling of mc, opposite to the coexisting Γ10. The mc of Γ10 is significantly enhanced up to 0.6 μB at T =1.5 K, which is accompanied by the incommensurate modulations. The Landau phenomenological approach indicates that the higher-order magnetic and/or multipole interactions based on the pseudoquartet f -electron state play important roles.

A confidence building exercise in data and identifiability: Modeling cancer chemotherapy as a case study.

PubMed

Eisenberg, Marisa C; Jain, Harsh V

2017-10-27

Mathematical modeling has a long history in the field of cancer therapeutics, and there is increasing recognition that it can help uncover the mechanisms that underlie tumor response to treatment. However, making quantitative predictions with such models often requires parameter estimation from data, raising questions of parameter identifiability and estimability. Even in the case of structural (theoretical) identifiability, imperfect data and the resulting practical unidentifiability of model parameters can make it difficult to infer the desired information, and in some cases, to yield biologically correct inferences and predictions. Here, we examine parameter identifiability and estimability using a case study of two compartmental, ordinary differential equation models of cancer treatment with drugs that are cell cycle-specific (taxol) as well as non-specific (oxaliplatin). We proceed through model building, structural identifiability analysis, parameter estimation, practical identifiability analysis and its biological implications, as well as alternative data collection protocols and experimental designs that render the model identifiable. We use the differential algebra/input-output relationship approach for structural identifiability, and primarily the profile likelihood approach for practical identifiability. Despite the models being structurally identifiable, we show that without consideration of practical identifiability, incorrect cell cycle distributions can be inferred, that would result in suboptimal therapeutic choices. We illustrate the usefulness of estimating practically identifiable combinations (in addition to the more typically considered structurally identifiable combinations) in generating biologically meaningful insights. We also use simulated data to evaluate how the practical identifiability of the model would change under alternative experimental designs. These results highlight the importance of understanding the underlying mechanisms rather than purely using parsimony or information criteria/goodness-of-fit to decide model selection questions. The overall roadmap for identifiability testing laid out here can be used to help provide mechanistic insight into complex biological phenomena, reduce experimental costs, and optimize model-driven experimentation. Copyright © 2017. Published by Elsevier Ltd.

Protein Secondary Structure Prediction Using AutoEncoder Network and Bayes Classifier

NASA Astrophysics Data System (ADS)

Wang, Leilei; Cheng, Jinyong

2018-03-01

Protein secondary structure prediction is belong to bioinformatics,and it's important in research area. In this paper, we propose a new prediction way of protein using bayes classifier and autoEncoder network. Our experiments show some algorithms including the construction of the model, the classification of parameters and so on. The data set is a typical CB513 data set for protein. In terms of accuracy, the method is the cross validation based on the 3-fold. Then we can get the Q3 accuracy. Paper results illustrate that the autoencoder network improved the prediction accuracy of protein secondary structure.

Structural Dynamics of Maneuvering Aircraft.

DTIC Science & Technology

1987-09-01

MANDYN. Written in Fortran 77, it was compiled and executed with Microsoft Fortran, Vers. 4.0 on an IBM PC-AT, with a co-processor, and a 20M hard disk...to the pivot area. Pre- sumably, the pivot area is a hard point in the wing structure. -41- NADC M1i4-0 ResulIts The final mass and flexural rigidity...lowest mode) is an important parameter. If it is less than three, the load factor approach can be problema - tical. In assessing the effect of one maneuver

Feathering instability of spiral arms. II. Parameter study

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

Lee, Wing-Kit, E-mail: wklee@asiaa.sinica.edu.tw; Institute of Astronomy and Astrophysics, Academia Sinica, Taipei 115, Taiwan

2014-09-10

We report the results of a parameter study of the feathering stability in the galactic spiral arms. A two-dimensional, razor-thin magnetized self-gravitating gas disk with an imposed two-armed stellar spiral structure is considered. Using the formulation developed previously by Lee and Shu, a linear stability analysis of the spiral shock is performed in a localized Cartesian geometry. Results of the parameter study of the base state with a spiral shock are also presented. The single-mode feathering instability that leads to growing perturbations may explain the feathering phenomenon found in nearby spiral galaxies. The self-gravity of the gas, characterized by itsmore » average surface density, is an important parameter that (1) shifts the spiral shock farther downstream and (2) increases the growth rate and decreases the characteristic spacing of the feathering structure due to the instability. On the other hand, while the magnetic field suppresses the velocity fluctuation associated with the feathers, it does not strongly affect their growth rate. Using a set of typical parameters of the grand-design spiral galaxy M51 at 2 kpc from the center, the spacing of the feathers with the maximum growth rate is found to be 530 pc, which agrees with the previous observational studies.« less

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.

A new moving strategy for the sequential Monte Carlo approach in optimizing the hydrological model parameters

NASA Astrophysics Data System (ADS)

Zhu, Gaofeng; Li, Xin; Ma, Jinzhu; Wang, Yunquan; Liu, Shaomin; Huang, Chunlin; Zhang, Kun; Hu, Xiaoli

2018-04-01

Sequential Monte Carlo (SMC) samplers have become increasing popular for estimating the posterior parameter distribution with the non-linear dependency structures and multiple modes often present in hydrological models. However, the explorative capabilities and efficiency of the sampler depends strongly on the efficiency in the move step of SMC sampler. In this paper we presented a new SMC sampler entitled the Particle Evolution Metropolis Sequential Monte Carlo (PEM-SMC) algorithm, which is well suited to handle unknown static parameters of hydrologic model. The PEM-SMC sampler is inspired by the works of Liang and Wong (2001) and operates by incorporating the strengths of the genetic algorithm, differential evolution algorithm and Metropolis-Hasting algorithm into the framework of SMC. We also prove that the sampler admits the target distribution to be a stationary distribution. Two case studies including a multi-dimensional bimodal normal distribution and a conceptual rainfall-runoff hydrologic model by only considering parameter uncertainty and simultaneously considering parameter and input uncertainty show that PEM-SMC sampler is generally superior to other popular SMC algorithms in handling the high dimensional problems. The study also indicated that it may be important to account for model structural uncertainty by using multiplier different hydrological models in the SMC framework in future study.

Analysis of Air Traffic Track Data with the AutoBayes Synthesis System

NASA Technical Reports Server (NTRS)

Schumann, Johann Martin Philip; Cate, Karen; Lee, Alan G.

2010-01-01

The Next Generation Air Traffic System (NGATS) is aiming to provide substantial computer support for the air traffic controllers. Algorithms for the accurate prediction of aircraft movements are of central importance for such software systems but trajectory prediction has to work reliably in the presence of unknown parameters and uncertainties. We are using the AutoBayes program synthesis system to generate customized data analysis algorithms that process large sets of aircraft radar track data in order to estimate parameters and uncertainties. In this paper, we present, how the tasks of finding structure in track data, estimation of important parameters in climb trajectories, and the detection of continuous descent approaches can be accomplished with compact task-specific AutoBayes specifications. We present an overview of the AutoBayes architecture and describe, how its schema-based approach generates customized analysis algorithms, documented C/C++ code, and detailed mathematical derivations. Results of experiments with actual air traffic control data are discussed.

Stereometric parameters change vs. Topographic Change Analysis (TCA) agreement in Heidelberg Retina Tomography III (HRT-3) early detection of clinical significant glaucoma progression.

PubMed

Dascalu, A M; Cherecheanu, A P; Stana, D; Voinea, L; Ciuluvica, R; Savlovschi, C; Serban, D

2014-01-01

to investigate the sensitivity and specificity of the stereometric parameters change analysis vs. Topographic Change Analysis in early detection of glaucoma progression. 81 patients with POAG were monitored for 4 years (GAT monthly, SAP at every 6 months, optic disc photographs and HRT3 yearly). The exclusion criteria were other optic disc or retinal pathology; topographic standard deviation (TSD>30; inter-test variation of reference height>25 μm. The criterion for structural progression was the following: at least 20 adjacent super-pixels with a clinically significant decrease in height (>5%). 16 patients of the total 81 presented structural progression on TCA. The most useful stereometric parameters for the early detection of glaucoma progression were the following: Rim Area change (sensitivity 100%, specificity 74.2% for a "cut-off " value of -0.05), C/D Area change (sensitivity 85.7%, specificity 71.5% for a "cut off " value of 0.02), C/D linear change (sensitivity 85.7%, specificity 71.5% for a "cut-off " value of 0.02), Rim Volume change (sensitivity 71.4%, specificity 88.8% for a "cut-off " value of -0.04). RNFL Thickness change (<0) was highly sensitive (82%), but less specific for glaucoma progression (45,2%). Changes of the other stereometric parameters have a limited diagnostic value for the early detection of glaucoma progression. TCA is a valuable tool for the assessment of the structural progression in glaucoma patients and its inter-test variability is low. On long-term, the quantitative analysis according to stereometric parameters change is also very important. The most relevant parameters to detect progression are RA, C/D Area, Linear C/D and RV.

A Bayesian approach to the modelling of α Cen A

NASA Astrophysics Data System (ADS)

Bazot, M.; Bourguignon, S.; Christensen-Dalsgaard, J.

2012-12-01

Determining the physical characteristics of a star is an inverse problem consisting of estimating the parameters of models for the stellar structure and evolution, and knowing certain observable quantities. We use a Bayesian approach to solve this problem for α Cen A, which allows us to incorporate prior information on the parameters to be estimated, in order to better constrain the problem. Our strategy is based on the use of a Markov chain Monte Carlo (MCMC) algorithm to estimate the posterior probability densities of the stellar parameters: mass, age, initial chemical composition, etc. We use the stellar evolutionary code ASTEC to model the star. To constrain this model both seismic and non-seismic observations were considered. Several different strategies were tested to fit these values, using either two free parameters or five free parameters in ASTEC. We are thus able to show evidence that MCMC methods become efficient with respect to more classical grid-based strategies when the number of parameters increases. The results of our MCMC algorithm allow us to derive estimates for the stellar parameters and robust uncertainties thanks to the statistical analysis of the posterior probability densities. We are also able to compute odds for the presence of a convective core in α Cen A. When using core-sensitive seismic observational constraints, these can rise above ˜40 per cent. The comparison of results to previous studies also indicates that these seismic constraints are of critical importance for our knowledge of the structure of this star.

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.

The Model Parameter Estimation Experiment (MOPEX): Its structure, connection to other international initiatives and future directions

USGS Publications Warehouse

Wagener, T.; Hogue, T.; Schaake, J.; Duan, Q.; Gupta, H.; Andreassian, V.; Hall, A.; Leavesley, G.

2006-01-01

The Model Parameter Estimation Experiment (MOPEX) is an international project aimed at developing enhanced techniques for the a priori estimation of parameters in hydrological models and in land surface parameterization schemes connected to atmospheric models. The MOPEX science strategy involves: database creation, a priori parameter estimation methodology development, parameter refinement or calibration, and the demonstration of parameter transferability. A comprehensive MOPEX database has been developed that contains historical hydrometeorological data and land surface characteristics data for many hydrological basins in the United States (US) and in other countries. This database is being continuously expanded to include basins from various hydroclimatic regimes throughout the world. MOPEX research has largely been driven by a series of international workshops that have brought interested hydrologists and land surface modellers together to exchange knowledge and experience in developing and applying parameter estimation techniques. With its focus on parameter estimation, MOPEX plays an important role in the international context of other initiatives such as GEWEX, HEPEX, PUB and PILPS. This paper outlines the MOPEX initiative, discusses its role in the scientific community, and briefly states future directions.

Validation tools for image segmentation

NASA Astrophysics Data System (ADS)

Padfield, Dirk; Ross, James

2009-02-01

A large variety of image analysis tasks require the segmentation of various regions in an image. For example, segmentation is required to generate accurate models of brain pathology that are important components of modern diagnosis and therapy. While the manual delineation of such structures gives accurate information, the automatic segmentation of regions such as the brain and tumors from such images greatly enhances the speed and repeatability of quantifying such structures. The ubiquitous need for such algorithms has lead to a wide range of image segmentation algorithms with various assumptions, parameters, and robustness. The evaluation of such algorithms is an important step in determining their effectiveness. Therefore, rather than developing new segmentation algorithms, we here describe validation methods for segmentation algorithms. Using similarity metrics comparing the automatic to manual segmentations, we demonstrate methods for optimizing the parameter settings for individual cases and across a collection of datasets using the Design of Experiment framework. We then employ statistical analysis methods to compare the effectiveness of various algorithms. We investigate several region-growing algorithms from the Insight Toolkit and compare their accuracy to that of a separate statistical segmentation algorithm. The segmentation algorithms are used with their optimized parameters to automatically segment the brain and tumor regions in MRI images of 10 patients. The validation tools indicate that none of the ITK algorithms studied are able to outperform with statistical significance the statistical segmentation algorithm although they perform reasonably well considering their simplicity.

Neuropsychology, autobiographical memory, and hippocampal volume in "younger" and "older" patients with chronic schizophrenia.

PubMed

Herold, Christina Josefa; Lässer, Marc Montgomery; Schmid, Lena Anna; Seidl, Ulrich; Kong, Li; Fellhauer, Iven; Thomann, Philipp Arthur; Essig, Marco; Schröder, Johannes

2015-01-01

Despite a wide range of studies on neuropsychology in schizophrenia, autobiographical memory (AM) has been scarcely investigated in these patients. Hence, less is known about AM in older patients and hippocampal contribution to autobiographical memories of varying remoteness. Therefore, we investigated hippocampal volume and AM along with important neuropsychological domains in patients with chronic schizophrenia and the respective relationships between these parameters. We compared 25 older patients with chronic schizophrenia to 23 younger patients and an older healthy control group (N = 21) with respect to AM, additional neuropsychological parameters, and hippocampal volume. Personal episodic and semantic memory was investigated using a semi-structured interview. Additional neuropsychological parameters were assessed by using a battery of standard neuropsychological tests. Structural magnetic resonance imaging data were analyzed with an automated region-of-interest procedure. While hippocampal volume reduction and neuropsychological impairment were more pronounced in the older than in the younger patients, both groups showed equivalent reduced AM performance for recent personal episodes. In the patient group, significant correlations between left hippocampal volume and recent autobiographical episodes as well as personal semantic memories arose. Verbal memory and working memory were significantly correlated with right hippocampal volume; executive functions, however, were associated with bilateral hippocampal volumes. These findings underline the complexity of AM and its impairments in the course of schizophrenia in comparison to rather progressive neuropsychological deficits and address the importance of hippocampal contribution.

A parametric numerical study of mixing in a cylindrical duct

NASA Astrophysics Data System (ADS)

Oechsle, V. L.; Mongia, H. C.; Holderman, J. D.

1992-07-01

The interaction is described of some of the important parameters affecting the mixing process in a quick mixing region of a rich burn/quick mix/lean burn (RQL) combustor. The performance of the quick mixing region is significantly affected by the geometric designs of both the mixing domain and the jet inlet orifices. Several of the important geometric parameters and operating conditions affecting the mixing process were analytically studied. Parameters such as jet-to-mainstream momentum flux ratio (J), mass flow ratio (MR), orifice geometry, orifice orientation, and number of orifices/row (equally spaced around the circumferential direction were analyzed. Three different sets of orifice shapes were studied: (1) square, (2) elongated slots, and (3) equilateral triangles. Based on the analytical results, the best mixing configuration depends significantly on the penetration depth of the jet to prevent the hot mainstream flow from being entrained behind the orifice. The structure in a circular mixing section is highly weighted toward the outer wall and any mixing structure affecting this area significantly affects the overall results. The increase in the number of orifices per row increases the mixing at higher J conditions. Higher slot slant angles and aspect ratios are generally the best mixing configurations at higher momentum flux ratio (J) conditions. However, the square and triangular shaped orifices were more effective mixing configurations at lower J conditions.

Acoustic and spectral characteristics of young children's fricative productions: A developmental perspective

NASA Astrophysics Data System (ADS)

Nissen, Shawn L.; Fox, Robert Allen

2005-10-01

Scientists have made great strides toward understanding the mechanisms of speech production and perception. However, the complex relationships between the acoustic structures of speech and the resulting psychological percepts have yet to be fully and adequately explained, especially in speech produced by younger children. Thus, this study examined the acoustic structure of voiceless fricatives (/f, θ, s, /sh/) produced by adults and typically developing children from 3 to 6 years of age in terms of multiple acoustic parameters (durations, normalized amplitude, spectral slope, and spectral moments). It was found that the acoustic parameters of spectral slope and variance (commonly excluded from previous studies of child speech) were important acoustic parameters in the differentiation and classification of the voiceless fricatives, with spectral variance being the only measure to separate all four places of articulation. It was further shown that the sibilant contrast between /s/ and /sh/ was less distinguished in children than adults, characterized by a dramatic change in several spectral parameters at approximately five years of age. Discriminant analysis revealed evidence that classification models based on adult data were sensitive to these spectral differences in the five-year-old age group.

W3MAMCAT: a world wide web based tool for mammillary and catenary compartmental modeling and expert system distinguishability.

PubMed

Russell, Solomon; Distefano, Joseph J

2006-07-01

W(3)MAMCAT is a new web-based and interactive system for building and quantifying the parameters or parameter ranges of n-compartment mammillary and catenary model structures, with input and output in the first compartment, from unstructured multiexponential (sum-of-n-exponentials) models. It handles unidentifiable as well as identifiable models and, as such, provides finite parameter interval solutions for unidentifiable models, whereas direct parameter search programs typically do not. It also tutorially develops the theory of model distinguishability for same order mammillary versus catenary models, as did its desktop application predecessor MAMCAT+. This includes expert system analysis for distinguishing mammillary from catenary structures, given input and output in similarly numbered compartments. W(3)MAMCAT provides for universal deployment via the internet and enhanced application error checking. It uses supported Microsoft technologies to form an extensible application framework for maintaining a stable and easily updatable application. Most important, anybody, anywhere, is welcome to access it using Internet Explorer 6.0 over the internet for their teaching or research needs. It is available on the Biocybernetics Laboratory website at UCLA: www.biocyb.cs.ucla.edu.

Characterization of DC Magnetron Sputtering Plasma Used for Deposition of Amorphous Carbon Nitride

NASA Astrophysics Data System (ADS)

Camps, Enrique; Escobar-Alarcón, Luis; López, J.; Zambrano, G.; Prieto, P.

2006-12-01

Amorphous carbon nitride (a-CNx) thin films are attractive due to their potential applications, in different areas. This material can be hard and used as a protective coating, or can be soft and porous and used as the active element in gas sensors, it can also be used as a radiation detector due to its thermoluminescent response. The use of this material for one or another application, will depend on the material's structure, which can be changed by changing the deposition parameters. When using the d.c. magnetron sputtering technique it means mainly the change of discharge power, type of Ar/N2 gas mixture, and the working gas pressure. The variation of these deposition parameters has an important influence on the characteristics of the plasma formed in the discharge. In this work we studied the plasma characteristics, such as the type of excited species, plasma density, and electron temperature under different deposition conditions, using Optical Emission Spectroscopy (OES), and a single Langmuir probe. These parameters were correlated with the properties of a-CNx films deposited under those characterized regimes, in order to establish the role that the plasma parameters play on the formation of the different structures of CNx films.

Atomistic modeling of metallic thin films by modified embedded atom method

NASA Astrophysics Data System (ADS)

Hao, Huali; Lau, Denvid

2017-11-01

Molecular dynamics simulation is applied to investigate the deposition process of metallic thin films. Eight metals, titanium, vanadium, iron, cobalt, nickel, copper, tungsten, and gold, are chosen to be deposited on the aluminum substrate. The second nearest-neighbor modified embedded atom method potential is adopted to predict their thermal and mechanical properties. When quantifying the screening parameters of the potential, the error for Young's modulus and coefficient of thermal expansion between the simulated results and the experimental measurements is less than 15%, demonstrating the reliability of the potential to predict metallic behaviors related to thermal and mechanical properties. A set of potential parameters which governs the interactions between aluminum and other metals in a binary system is also generated from ab initio calculation. The details of interfacial structures between the chosen films and substrate are successfully simulated with the help of these parameters. Our results indicate that the preferred orientation of film growth depends on the film crystal structure, and the inter-diffusion at the interface is correlated the cohesive energy parameter of potential for the binary system. Such finding provides an important basis to further understand the interfacial science, which contributes to the improvement of the mechanical properties, reliability and durability of films.

Structure of magnetopause layers formed by a radial interplanetary magnetic field

NASA Astrophysics Data System (ADS)

Safrankova, Jana; Simunek, Jiri; Nemecek, Zdenek; Prech, Lubomir; Grygorov, Kostiantyn; Shue, Jih-Hong; Samsonov, Andrey; Pi, Gilbert

2016-07-01

The magnetopause location is generally believed to be determined by the solar wind dynamic pressure and by the sign and value of the interplanetary magnetic field (IMF) vertical (Bz) component. A contribution of other parameters is usually assumed to be minor or negligible near the equatorial plane. However, recent papers have shown a magnetopause expansion during intervals of a nearly radial IMF (large IMF Bx component). Under such conditions, the total pressure exerted on the subsolar magnetopause is significantly lower than the solar wind dynamic pressure as demonstrate both MHD simulations and statistical investigations. During a long-duration radial IMF, all parameters - the IMF magnitude, solar wind speed, density, and especially the temperature are depressed in comparison with their yearly averages. Moreover, in this case, the structures of the LLBL change; the LLBL shows different profiles at both hemispheres for negative and positive IMF Bx polarities. This asymmetry changes over time and influences the LLBL structures due to magnetic reconnection. We present an overview of important physical quantities controlling the magnetopause compression and new results that deal with the structure of the magnetopause and adjacent layers.

Controlling interferometric properties of nanoporous anodic aluminium oxide

PubMed Central

2012-01-01

A study of reflective interference spectroscopy [RIfS] properties of nanoporous anodic aluminium oxide [AAO] with the aim to develop a reliable substrate for label-free optical biosensing is presented. The influence of structural parameters of AAO including pore diameters, inter-pore distance, pore length, and surface modification by deposition of Au, Ag, Cr, Pt, Ni, and TiO2 on the RIfS signal (Fabry-Perot fringe) was explored. AAO with controlled pore dimensions was prepared by electrochemical anodization of aluminium using 0.3 M oxalic acid at different voltages (30 to 70 V) and anodization times (10 to 60 min). Results show the strong influence of pore structures and surface modifications on the interference signal and indicate the importance of optimisation of AAO pore structures for RIfS sensing. The pore length/pore diameter aspect ratio of AAO was identified as a suitable parameter to tune interferometric properties of AAO. Finally, the application of AAO with optimised pore structures for sensing of a surface binding reaction of alkanethiols (mercaptoundecanoic acid) on gold surface is demonstrated. PMID:22280884

Optimum design of structures subject to general periodic loads

NASA Technical Reports Server (NTRS)

Reiss, Robert; Qian, B.

1989-01-01

A simplified version of Icerman's problem regarding the design of structures subject to a single harmonic load is discussed. The nature of the restrictive conditions that must be placed on the design space in order to ensure an analytic optimum are discussed in detail. Icerman's problem is then extended to include multiple forcing functions with different driving frequencies. And the conditions that now must be placed upon the design space to ensure an analytic optimum are again discussed. An important finding is that all solutions to the optimality condition (analytic stationary design) are local optima, but the global optimum may well be non-analytic. The more general problem of distributing the fixed mass of a linear elastic structure subject to general periodic loads in order to minimize some measure of the steady state deflection is also considered. This response is explicitly expressed in terms of Green's functional and the abstract operators defining the structure. The optimality criterion is derived by differentiating the response with respect to the design parameters. The theory is applicable to finite element as well as distributed parameter models.

On the role of magnetic field intensity for better micro-structural characterization during Barkhausen Noise analysis

NASA Astrophysics Data System (ADS)

Yusufzai, Mohd Zaheer Khan; Vashista, M.

2018-04-01

Barkhausen Noise analysis is a popular and preferred technique for micro-structural characterization. The root mean square value and peak value of Barkhausen Noise burst are important parameters to assess the micro-hardness and residual stress. Barkhausen Noise burst can be enveloped using a curve known as Barkhausen Noise profile. Peak position of profile changes with change in micro-structure. In the present work, raw signal of Barkhausen Noise burst was obtained from Ni based sample at various magnetic field intensity to observe the effect of variation in field intensity on Barkhausen Noise burst. Raw signal was opened using MATLAB to further process for microstructure analysis. Barkhausen Noise analysis parameters such as magnetizing frequency, number of burst, high pass and low pass filter frequency were kept constant and magnetizing field was varied in wide range between 200 Oe to 1200 Oe. The processed profiles of Barkhausen Noise burst obtained at various magnetizing field intensity clearly reveals requirement of optimum magnetic field strength for better characterization of micro-structure.

Local structure of dilute aqueous DMSO solutions, as seen from molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Idrissi, Abdenacer; Marekha, Bogdan A.; Barj, Mohammed; Miannay, François Alexandre; Takamuku, Toshiyuki; Raptis, Vasilios; Samios, Jannis; Jedlovszky, Pál

2017-06-01

The information about the structure of dimethyl sulfoxide (DMSO)-water mixtures at relatively low DMSO mole fractions is an important step in order to understand their cryoprotective properties as well as the solvation process of proteins and amino acids. Classical MD simulations, using the potential model combination that best reproduces the free energy of mixing of these compounds, are used to analyze the local structure of DMSO-water mixtures at DMSO mole fractions below 0.2. Significant changes in the local structure of DMSO are observed around the DMSO mole fraction of 0.1. The array of evidence, based on the cluster and the metric and topological parameters of the Voronoi polyhedra distributions, indicates that these changes are associated with the simultaneous increase of the number of DMSO-water and decrease of water-water hydrogen bonds with increasing DMSO concentration. The inversion between the dominance of these two types of H-bonds occurs around XDMSO = 0.1, above which the DMSO-DMSO interactions also start playing an important role. In other words, below the DMSO mole fraction of 0.1, DMSO molecules are mainly solvated by water molecules, while above it, their solvation shell consists of a mixture of water and DMSO. The trigonal, tetrahedral, and trigonal bipyramidal distributions of water shift to lower corresponding order parameter values indicating the loosening of these orientations. Adding DMSO does not affect the hydrogen bonding between a reference water molecule and its first neighbor hydrogen bonded water molecules, while it increases the bent hydrogen bond geometry involving the second ones. The close-packed local structure of the third, fourth, and fifth water neighbors also is reinforced. In accordance with previous theoretical and experimental data, the hydrogen bonding between water and the first, the second, and the third DMSO neighbors is stronger than that with its corresponding water neighbors. At a given DMSO mole fraction, the behavior of the intensity of the high orientational order parameter values indicates that water molecules are more ordered in the vicinity of the hydrophilic group while their structure is close-packed near the hydrophobic group of DMSO.

Numerical analysis of the diffusive mass transport in brain tissues with applications to optical sensors

NASA Astrophysics Data System (ADS)

Neculae, Adrian P.; Otte, Andreas; Curticapean, Dan

2013-03-01

In the brain-cell microenvironment, diffusion plays an important role: apart from delivering glucose and oxygen from the vascular system to brain cells, it also moves informational substances between cells. The brain is an extremely complex structure of interwoven, intercommunicating cells, but recent theoretical and experimental works showed that the classical laws of diffusion, cast in the framework of porous media theory, can deliver an accurate quantitative description of the way molecules are transported through this tissue. The mathematical modeling and the numerical simulations are successfully applied in the investigation of diffusion processes in tissues, replacing the costly laboratory investigations. Nevertheless, modeling must rely on highly accurate information regarding the main parameters (tortuosity, volume fraction) which characterize the tissue, obtained by structural and functional imaging. The usual techniques to measure the diffusion mechanism in brain tissue are the radiotracer method, the real time iontophoretic method and integrative optical imaging using fluorescence microscopy. A promising technique for obtaining the values for characteristic parameters of the transport equation is the direct optical investigation using optical fibers. The analysis of these parameters also reveals how the local geometry of the brain changes with time or under pathological conditions. This paper presents a set of computations concerning the mass transport inside the brain tissue, for different types of cells. By measuring the time evolution of the concentration profile of an injected substance and using suitable fitting procedures, the main parameters characterizing the tissue can be determined. This type of analysis could be an important tool in understanding the functional mechanisms of effective drug delivery in complex structures such as the brain tissue. It also offers possibilities to realize optical imaging methods for in vitro and in vivo measurements using optical fibers. The model also may help in radiotracer biomarker models for the understanding of the mechanism of action of new chemical entities.

Two-dimensional joint inversion of Magnetotelluric and local earthquake data: Discussion on the contribution to the solution of deep subsurface structures

NASA Astrophysics Data System (ADS)

Demirci, İsmail; Dikmen, Ünal; Candansayar, M. Emin

2018-02-01

Joint inversion of data sets collected by using several geophysical exploration methods has gained importance and associated algorithms have been developed. To explore the deep subsurface structures, Magnetotelluric and local earthquake tomography algorithms are generally used individually. Due to the usage of natural resources in both methods, it is not possible to increase data quality and resolution of model parameters. For this reason, the solution of the deep structures with the individual usage of the methods cannot be fully attained. In this paper, we firstly focused on the effects of both Magnetotelluric and local earthquake data sets on the solution of deep structures and discussed the results on the basis of the resolving power of the methods. The presence of deep-focus seismic sources increase the resolution of deep structures. Moreover, conductivity distribution of relatively shallow structures can be solved with high resolution by using MT algorithm. Therefore, we developed a new joint inversion algorithm based on the cross gradient function in order to jointly invert Magnetotelluric and local earthquake data sets. In the study, we added a new regularization parameter into the second term of the parameter correction vector of Gallardo and Meju (2003). The new regularization parameter is enhancing the stability of the algorithm and controls the contribution of the cross gradient term in the solution. The results show that even in cases where resistivity and velocity boundaries are different, both methods influence each other positively. In addition, the region of common structural boundaries of the models are clearly mapped compared with original models. Furthermore, deep structures are identified satisfactorily even with using the minimum number of seismic sources. In this paper, in order to understand the future studies, we discussed joint inversion of Magnetotelluric and local earthquake data sets only in two-dimensional space. In the light of these results and by means of the acceleration on the three-dimensional modelling and inversion algorithms, it is thought that it may be easier to identify underground structures with high resolution.

Predicting CYP2C19 Catalytic Parameters for Enantioselective Oxidations Using Artificial Neural Networks and a Chirality Code

PubMed Central

Hartman, Jessica H.; Cothren, Steven D.; Park, Sun-Ha; Yun, Chul-Ho; Darsey, Jerry A.; Miller, Grover P.

2013-01-01

Cytochromes P450 (CYP for isoforms) play a central role in biological processes especially metabolism of chiral molecules; thus, development of computational methods to predict parameters for chiral reactions is important for advancing this field. In this study, we identified the most optimal artificial neural networks using conformation-independent chirality codes to predict CYP2C19 catalytic parameters for enantioselective reactions. Optimization of the neural networks required identifying the most suitable representation of structure among a diverse array of training substrates, normalizing distribution of the corresponding catalytic parameters (kcat, Km, and kcat/Km), and determining the best topology for networks to make predictions. Among different structural descriptors, the use of partial atomic charges according to the CHelpG scheme and inclusion of hydrogens yielded the most optimal artificial neural networks. Their training also required resolution of poorly distributed output catalytic parameters using a Box-Cox transformation. End point leave-one-out cross correlations of the best neural networks revealed that predictions for individual catalytic parameters (kcat and Km) were more consistent with experimental values than those for catalytic efficiency (kcat/Km). Lastly, neural networks predicted correctly enantioselectivity and comparable catalytic parameters measured in this study for previously uncharacterized CYP2C19 substrates, R- and S-propranolol. Taken together, these seminal computational studies for CYP2C19 are the first to predict all catalytic parameters for enantioselective reactions using artificial neural networks and thus provide a foundation for expanding the prediction of cytochrome P450 reactions to chiral drugs, pollutants, and other biologically active compounds. PMID:23673224

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.

A reusable PZT transducer for monitoring initial hydration and structural health of concrete.

PubMed

Yang, Yaowen; Divsholi, Bahador Sabet; Soh, Chee Kiong

2010-01-01

During the construction of a concrete structure, strength monitoring is important to ensure the safety of both personnel and the structure. Furthermore, to increase the efficiency of in situ casting or precast of concrete, determining the optimal time of demolding is important for concrete suppliers. Surface bonded lead zirconate titanate (PZT) transducers have been used for damage detection and parameter identification for various engineering structures over the last two decades. In this work, a reusable PZT transducer setup for monitoring initial hydration of concrete and structural health is developed, where a piece of PZT is bonded to an enclosure with two bolts tightened inside the holes drilled in the enclosure. An impedance analyzer is used to acquire the admittance signatures of the PZT. Root mean square deviation (RMSD) is employed to associate the change in concrete strength with changes in the PZT admittance signatures. The results show that the reusable setup is able to effectively monitor the initial hydration of concrete and the structural health. It can also be detached from the concrete for future re-use.

A Reusable PZT Transducer for Monitoring Initial Hydration and Structural Health of Concrete

PubMed Central

Yang, Yaowen; Divsholi, Bahador Sabet; Soh, Chee Kiong

2010-01-01

During the construction of a concrete structure, strength monitoring is important to ensure the safety of both personnel and the structure. Furthermore, to increase the efficiency of in situ casting or precast of concrete, determining the optimal time of demolding is important for concrete suppliers. Surface bonded lead zirconate titanate (PZT) transducers have been used for damage detection and parameter identification for various engineering structures over the last two decades. In this work, a reusable PZT transducer setup for monitoring initial hydration of concrete and structural health is developed, where a piece of PZT is bonded to an enclosure with two bolts tightened inside the holes drilled in the enclosure. An impedance analyzer is used to acquire the admittance signatures of the PZT. Root mean square deviation (RMSD) is employed to associate the change in concrete strength with changes in the PZT admittance signatures. The results show that the reusable setup is able to effectively monitor the initial hydration of concrete and the structural health. It can also be detached from the concrete for future re-use. PMID:22399929

Volta phase plate data collection facilitates image processing and cryo-EM structure determination.

PubMed

von Loeffelholz, Ottilie; Papai, Gabor; Danev, Radostin; Myasnikov, Alexander G; Natchiar, S Kundhavai; Hazemann, Isabelle; Ménétret, Jean-François; Klaholz, Bruno P

2018-06-01

A current bottleneck in structure determination of macromolecular complexes by cryo electron microscopy (cryo-EM) is the large amount of data needed to obtain high-resolution 3D reconstructions, including through sorting into different conformations and compositions with advanced image processing. Additionally, it may be difficult to visualize small ligands that bind in sub-stoichiometric levels. Volta phase plates (VPP) introduce a phase shift in the contrast transfer and drastically increase the contrast of the recorded low-dose cryo-EM images while preserving high frequency information. Here we present a comparative study to address the behavior of different data sets during image processing and quantify important parameters during structure refinement. The automated data collection was done from the same human ribosome sample either as a conventional defocus range dataset or with a Volta phase plate close to focus (cfVPP) or with a small defocus (dfVPP). The analysis of image processing parameters shows that dfVPP data behave more robustly during cryo-EM structure refinement because particle alignments, Euler angle assignments and 2D & 3D classifications behave more stably and converge faster. In particular, less particle images are required to reach the same resolution in the 3D reconstructions. Finally, we find that defocus range data collection is also applicable to VPP. This study shows that data processing and cryo-EM map interpretation, including atomic model refinement, are facilitated significantly by performing VPP cryo-EM, which will have an important impact on structural biology. Copyright © 2018 Elsevier Inc. All rights reserved.

The role of detachment and interlayer shear zones in the structural evolution of the southern Espinhaço range, eastern Brazil

NASA Astrophysics Data System (ADS)

Kuchenbecker, Matheus; Sanglard, Júlio Carlos Destro

2018-07-01

Sedimentary rocks usually show a significant mechanical anisotropy due to its layered nature. Because of this, they play an important role controlling rock deformation and the study of the deformation partitioning caused by rheological heterogeneities becomes a crucial step to understand the inversion of sedimentary basins. The detachment and interlayer shear zones, described at southern Espinhaço range, correspond to part of the structural collection that records the compressive deformation which is associated to the Brazilian-Pan African orogeny during Gondwana amalgamation. The mechanical contrast between lithological units is the main parameter of control for the occurrence of these zones which can be found with variable thickness from millimeter interlayer shear zones to regional-sized basement-cover detachment zones. The phyllitic layers are the most incompetent lithotype among metasedimentary rocks and they play an important role in the ductile-brittle regional deformation by accommodating much of the deformation during faulting and/or folding. Even though being a more competent rock, internal interlayer shear zones and other shear structures can be found in quartzite when in contact with weaker rocks. These structures accommodate a significant amount of deformation at the southern Espinhaço range and, because of this, they are of great value in understanding the inversion of the Espinhaço basins during West Gondwana assembly. The focus of the present paper is to discuss the main situations where interlayer shear occurs, to present a brief compendium of the main structures associated to this process and to add parameters to its recognition and interpretation.

Optimization-Based Inverse Identification of the Parameters of a Concrete Cap Material Model

NASA Astrophysics Data System (ADS)

Král, Petr; Hokeš, Filip; Hušek, Martin; Kala, Jiří; Hradil, Petr

2017-10-01

Issues concerning the advanced numerical analysis of concrete building structures in sophisticated computing systems currently require the involvement of nonlinear mechanics tools. The efforts to design safer, more durable and mainly more economically efficient concrete structures are supported via the use of advanced nonlinear concrete material models and the geometrically nonlinear approach. The application of nonlinear mechanics tools undoubtedly presents another step towards the approximation of the real behaviour of concrete building structures within the framework of computer numerical simulations. However, the success rate of this application depends on having a perfect understanding of the behaviour of the concrete material models used and having a perfect understanding of the used material model parameters meaning. The effective application of nonlinear concrete material models within computer simulations often becomes very problematic because these material models very often contain parameters (material constants) whose values are difficult to obtain. However, getting of the correct values of material parameters is very important to ensure proper function of a concrete material model used. Today, one possibility, which permits successful solution of the mentioned problem, is the use of optimization algorithms for the purpose of the optimization-based inverse material parameter identification. Parameter identification goes hand in hand with experimental investigation while it trying to find parameter values of the used material model so that the resulting data obtained from the computer simulation will best approximate the experimental data. This paper is focused on the optimization-based inverse identification of the parameters of a concrete cap material model which is known under the name the Continuous Surface Cap Model. Within this paper, material parameters of the model are identified on the basis of interaction between nonlinear computer simulations, gradient based and nature inspired optimization algorithms and experimental data, the latter of which take the form of a load-extension curve obtained from the evaluation of uniaxial tensile test results. The aim of this research was to obtain material model parameters corresponding to the quasi-static tensile loading which may be further used for the research involving dynamic and high-speed tensile loading. Based on the obtained results it can be concluded that the set goal has been reached.

Mechanical performance and parameter sensitivity analysis of 3D braided composites joints.

PubMed

Wu, Yue; Nan, Bo; Chen, Liang

2014-01-01

3D braided composite joints are the important components in CFRP truss, which have significant influence on the reliability and lightweight of structures. To investigate the mechanical performance of 3D braided composite joints, a numerical method based on the microscopic mechanics is put forward, the modeling technologies, including the material constants selection, element type, grid size, and the boundary conditions, are discussed in detail. Secondly, a method for determination of ultimate bearing capacity is established, which can consider the strength failure. Finally, the effect of load parameters, geometric parameters, and process parameters on the ultimate bearing capacity of joints is analyzed by the global sensitivity analysis method. The results show that the main pipe diameter thickness ratio γ, the main pipe diameter D, and the braided angle α are sensitive to the ultimate bearing capacity N.

RNAHelix: computational modeling of nucleic acid structures with Watson-Crick and non-canonical base pairs.

PubMed

Bhattacharyya, Dhananjay; Halder, Sukanya; Basu, Sankar; Mukherjee, Debasish; Kumar, Prasun; Bansal, Manju

2017-02-01

Comprehensive analyses of structural features of non-canonical base pairs within a nucleic acid double helix are limited by the availability of a small number of three dimensional structures. Therefore, a procedure for model building of double helices containing any given nucleotide sequence and base pairing information, either canonical or non-canonical, is seriously needed. Here we describe a program RNAHelix, which is an updated version of our widely used software, NUCGEN. The program can regenerate duplexes using the dinucleotide step and base pair orientation parameters for a given double helical DNA or RNA sequence with defined Watson-Crick or non-Watson-Crick base pairs. The original structure and the corresponding regenerated structure of double helices were found to be very close, as indicated by the small RMSD values between positions of the corresponding atoms. Structures of several usual and unusual double helices have been regenerated and compared with their original structures in terms of base pair RMSD, torsion angles and electrostatic potentials and very high agreements have been noted. RNAHelix can also be used to generate a structure with a sequence completely different from an experimentally determined one or to introduce single to multiple mutation, but with the same set of parameters and hence can also be an important tool in homology modeling and study of mutation induced structural changes.

Quantifying changes in the bone microarchitecture using Minkowski-functionals and scaling vectors: a comparative study

NASA Astrophysics Data System (ADS)

Raeth, Christoph W.; Mueller, Dirk; Link, Thomas M.; Boehm, Holger; Monetti, Roberto

2006-03-01

Osteoporosis is a metabolic bone disease leading to de-mineralization and increased risk of fracture. The two major factors that determine the biomechanical competence of bone are the degree of mineralization and the micro-architectural integrity. Today, modern imaging modalities exist that allow to depict structural details of trabecular bone tissue. Recently, non-linear techniques in 2D and 3D based on the scaling vector method (SVM) and the Minkowski functionals (MF) have been introduced, which show excellent performance in predicting bone strength and fracture risk. However, little is known about the performance of the various parameters with respect to monitoring structural changes due to progression of osteoporosis or as a result of medical treatment. We test and compare the two methodologies using realistic two-dimensional simulations of bone structures, which model the effect of osteoblasts and osteoclasts on the local change of relative bone density. Different realizations with slightly varying control parameters are considered. Our results show that even small changes in the trabecular structures, which are induced by variation of a control parameter of the system, become discernible by applying both the MF and the locally adapted scaling vector method. The results obtained with SVM are superior to those obtained with the Minkowski functionals. An additive combination of both measures drastically increases the sensitivity to slight changes in bone structures. These findings may be especially important for monitoring the treatment of patients, where the early recognition of (drug-induced) changes in the trabecular structure is crucial.

Plasmon resonance enhanced optical transmission and magneto-optical Faraday effects in nanohole arrays blocked by metal antenna

NASA Astrophysics Data System (ADS)

Lei, Chengxin; Tang, Zhixiong; Wang, Sihao; Li, Daoyong; Chen, Leyi; Tang, Shaolong; Du, Youwei

2017-07-01

The properties of the optical and magneto-optical effects of an improved plasmonic nanohole arrays blocked by gold mushroom caps are investigated by using the finite difference time domain (FDTD) method. It is most noteworthy that the strongly enhanced Faraday rotation along with high transmittance has been achieved simultaneously by optimizing the parameters of nanostructure in a broad spectrum spanning visible to near-infrared frequencies, which is very important in practical application for designing novel optical and magneto-optical devices. In our designed structure, we obtained two extraordinary optical transmission (EOT) resonant peaks along with enhanced Faraday rotation and two peaks of the figure of merit (FOM). By optimizing the geometrical parameters of the structure, we can obtain an almost 10-fold enhancement of Faraday rotation with a corresponding transmittance 50%, and the FOM of 0.752 at the same wavelength. As expected, the optical and magneto-optical effects sensitively depends on the geometrical parameters of our structure, which can be simply tailored by the height of pillar, the diameter of mushroom cap, and the period of the structure, and so on. The physical mechanism of these physical phenomena in the paper has been explained in detail. These research findings are of great theoretical significance in developing the novel magneto-optical devices in the future.

Experimental Study of the Structure of a Wingtip Vortex

NASA Technical Reports Server (NTRS)

Anderson, Elgin A.; Wright, Christopher T.

2000-01-01

A complete look at the near-field development and subsequent role-up of a wingtip vortex from a NACA 0015 wing section is investigated. Two separate but equally important surveys of the vortex structure in the region adjacent to the wingtip and approximately one chord length downstream of the trailing edge are performed. The two surveys provide qualitative flow-visualization an quantitative velocity measurement data. The near-field development and subsequent role-up of the vortex structures is strongly influenced by the angle-of-attack and the end-cap treatment of the wing section. The velocity field near the wingtip of the NACA 0015 wing section was measured with a triple-sensor hot wire probe and compared to flow visualization images produced with titanium tetrachloride smoke injection and laser illumination. The flat end-cap results indicate the formation of multiple, relatively strong vortex structures as opposed to the formation of a single vortex produced with the round end-cap. The multiple vortices generated by the flat end-cap are seen to rotate around a common ce te in a helical pattern until they eventually merge into a single vortex. Compared to a non-dimensional loading parameter, the results of the velocity and flow visualization data shows a "jetlike" axial velocity profile for loading parameter values on the order of 0.1 and a "wakelike" profile for much lower loading parameter values.

Neural model of gene regulatory network: a survey on supportive meta-heuristics.

PubMed

Biswas, Surama; Acharyya, Sriyankar

2016-06-01

Gene regulatory network (GRN) is produced as a result of regulatory interactions between different genes through their coded proteins in cellular context. Having immense importance in disease detection and drug finding, GRN has been modelled through various mathematical and computational schemes and reported in survey articles. Neural and neuro-fuzzy models have been the focus of attraction in bioinformatics. Predominant use of meta-heuristic algorithms in training neural models has proved its excellence. Considering these facts, this paper is organized to survey neural modelling schemes of GRN and the efficacy of meta-heuristic algorithms towards parameter learning (i.e. weighting connections) within the model. This survey paper renders two different structure-related approaches to infer GRN which are global structure approach and substructure approach. It also describes two neural modelling schemes, such as artificial neural network/recurrent neural network based modelling and neuro-fuzzy modelling. The meta-heuristic algorithms applied so far to learn the structure and parameters of neutrally modelled GRN have been reviewed here.

Numerical simulation of high-temperature thermal contact resistance and its reduction mechanism.

PubMed

Liu, Donghuan; Zhang, Jing

2018-01-01

High-temperature thermal contact resistance (TCR) plays an important role in heat-pipe-cooled thermal protection structures due to the existence of contact interface between the embedded heat pipe and the heat resistive structure, and the reduction mechanism of thermal contact resistance is of special interests in the design of such structures. The present paper proposed a finite element model of the high-temperature thermal contact resistance based on the multi-point contact model with the consideration of temperature-dependent material properties, heat radiation through the cavities at the interface and the effect of thermal interface material (TIM), and the geometry parameters of the finite element model are determined by simple surface roughness test and experimental data fitting. The experimental results of high-temperature thermal contact resistance between superalloy GH600 and C/C composite material are employed to validate the present finite element model. The effect of the crucial parameters on the thermal contact resistance with and without TIM are also investigated with the proposed finite element model.

Mechanical Characteristics of SiC Coating Layer in TRISO Fuel Particles

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

P. Hosemann; J. N. Martos; D. Frazer

2013-11-01

Tristructural isotropic (TRISO) particles are considered as advanced fuel forms for a variety of fission platforms. While these fuel structures have been tested and deployed in reactors, the mechanical properties of these structures as a function of production parameters need to be investigated in order to ensure their reliability during service. Nanoindentation techniques, indentation crack testing, and half sphere crush testing were utilized in order to evaluate the integrity of the SiC coating layer that is meant to prevent fission product release in the coated particle fuel form. The results are complimented by scanning electron microscopy (SEM) of the grainmore » structure that is subject to change as a function of processing parameters and can alter the mechanical properties such as hardness, elastic modulus, fracture toughness and fracture strength. Through utilization of these advanced techniques, subtle differences in mechanical properties that can be important for in-pile fuel performance can be distinguished and optimized in iteration with processing science of coated fuel particle production.« less

A contact angle hysteresis model based on the fractal structure of contact line.

PubMed

Wu, Shuai; Ma, Ming

2017-11-01

Contact angle is one of the most popular concept used in fields such as wetting, transport and microfludics. In practice, different contact angles such as equilibrium, receding and advancing contact angles are observed due to hysteresis. The connection among these contact angles is important in revealing the chemical and physical properties of surfaces related to wetting. Inspired by the fractal structure of contact line, we propose a single parameter model depicting the connection of the three angles. This parameter is decided by the fractal structure of the contact line. The results of this model agree with experimental observations. In certain cases, it can be reduced to other existing models. It also provides a new point of view in understanding the physical nature of the contact angle hysteresis. Interestingly, some counter-intuitive phenomena, such as the binary receding angles, are indicated in this model, which are waited to be validated by experiments. Copyright © 2017 Elsevier Inc. All rights reserved.

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.

Correlative live and super-resolution imaging reveals the dynamic structure of replication domains.

PubMed

Xiang, Wanqing; Roberti, M Julia; Hériché, Jean-Karim; Huet, Sébastien; Alexander, Stephanie; Ellenberg, Jan

2018-06-04

Chromosome organization in higher eukaryotes controls gene expression, DNA replication, and DNA repair. Genome mapping has revealed the functional units of chromatin at the submegabase scale as self-interacting regions called topologically associating domains (TADs) and showed they correspond to replication domains (RDs). A quantitative structural and dynamic description of RD behavior in the nucleus is, however, missing because visualization of dynamic subdiffraction-sized RDs remains challenging. Using fluorescence labeling of RDs combined with correlative live and super-resolution microscopy in situ, we determined biophysical parameters to characterize the internal organization, spacing, and mechanical coupling of RDs. We found that RDs are typically 150 nm in size and contain four co-replicating regions spaced 60 nm apart. Spatially neighboring RDs are spaced 300 nm apart and connected by highly flexible linker regions that couple their motion only <550 nm. Our pipeline allows a robust quantitative characterization of chromosome structure in situ and provides important biophysical parameters to understand general principles of chromatin organization. © 2018 Xiang et al.

Fine structure constant defines visual transparency of graphene.

PubMed

Nair, R R; Blake, P; Grigorenko, A N; Novoselov, K S; Booth, T J; Stauber, T; Peres, N M R; Geim, A K

2008-06-06

There are few phenomena in condensed matter physics that are defined only by the fundamental constants and do not depend on material parameters. Examples are the resistivity quantum, h/e2 (h is Planck's constant and e the electron charge), that appears in a variety of transport experiments and the magnetic flux quantum, h/e, playing an important role in the physics of superconductivity. By and large, sophisticated facilities and special measurement conditions are required to observe any of these phenomena. We show that the opacity of suspended graphene is defined solely by the fine structure constant, a = e2/hc feminine 1/137 (where c is the speed of light), the parameter that describes coupling between light and relativistic electrons and that is traditionally associated with quantum electrodynamics rather than materials science. Despite being only one atom thick, graphene is found to absorb a significant (pa = 2.3%) fraction of incident white light, a consequence of graphene's unique electronic structure.

Numerical simulation of high-temperature thermal contact resistance and its reduction mechanism

PubMed Central

Zhang, Jing

2018-01-01

High-temperature thermal contact resistance (TCR) plays an important role in heat-pipe-cooled thermal protection structures due to the existence of contact interface between the embedded heat pipe and the heat resistive structure, and the reduction mechanism of thermal contact resistance is of special interests in the design of such structures. The present paper proposed a finite element model of the high-temperature thermal contact resistance based on the multi-point contact model with the consideration of temperature-dependent material properties, heat radiation through the cavities at the interface and the effect of thermal interface material (TIM), and the geometry parameters of the finite element model are determined by simple surface roughness test and experimental data fitting. The experimental results of high-temperature thermal contact resistance between superalloy GH600 and C/C composite material are employed to validate the present finite element model. The effect of the crucial parameters on the thermal contact resistance with and without TIM are also investigated with the proposed finite element model. PMID:29547651

Enhancement of magneto-optical Faraday effects and extraordinary optical transmission in a tri-layer structure with rectangular annular arrays.

PubMed

Lei, Chengxin; Chen, Leyi; Tang, Zhixiong; Li, Daoyong; Cheng, Zhenzhi; Tang, Shaolong; Du, Youwei

2016-02-15

The properties of optics and magneto-optical Faraday effects in a metal-dielectric tri-layer structure with subwavelength rectangular annular arrays are investigated. It is noteworthy that we obtained the strongly enhanced Faraday rotation of the desired sign along with high transmittance by optimizing the parameters of the nanostructure in the visible spectral ranges. In this system, we obtained two extraordinary optical transmission (EOT) resonant peaks with enhanced Faraday rotations, whose signs are opposite, which may provide the possibility of designing multi-channel magneto-optical devices. Study results show that the maximum of the figure of merit (FOM) of the structure can be obtained between two EOT resonant peaks accompanied by an enhanced Faraday rotation. The positions of the maximum value of the FOM and resonant peaks of transmission along with a large Faraday rotation can be tailored by simply adjusting the geometric parameters of our models. These research findings are of great importance for future applications of magneto-optical devices.

LIPS database with LIPService: a microscopic image database of intracellular structures in Arabidopsis guard cells.

PubMed

Higaki, Takumi; Kutsuna, Natsumaro; Hasezawa, Seiichiro

2013-05-16

Intracellular configuration is an important feature of cell status. Recent advances in microscopic imaging techniques allow us to easily obtain a large number of microscopic images of intracellular structures. In this circumstance, automated microscopic image recognition techniques are of extreme importance to future phenomics/visible screening approaches. However, there was no benchmark microscopic image dataset for intracellular organelles in a specified plant cell type. We previously established the Live Images of Plant Stomata (LIPS) database, a publicly available collection of optical-section images of various intracellular structures of plant guard cells, as a model system of environmental signal perception and transduction. Here we report recent updates to the LIPS database and the establishment of a database table, LIPService. We updated the LIPS dataset and established a new interface named LIPService to promote efficient inspection of intracellular structure configurations. Cell nuclei, microtubules, actin microfilaments, mitochondria, chloroplasts, endoplasmic reticulum, peroxisomes, endosomes, Golgi bodies, and vacuoles can be filtered using probe names or morphometric parameters such as stomatal aperture. In addition to the serial optical sectional images of the original LIPS database, new volume-rendering data for easy web browsing of three-dimensional intracellular structures have been released to allow easy inspection of their configurations or relationships with cell status/morphology. We also demonstrated the utility of the new LIPS image database for automated organelle recognition of images from another plant cell image database with image clustering analyses. The updated LIPS database provides a benchmark image dataset for representative intracellular structures in Arabidopsis guard cells. The newly released LIPService allows users to inspect the relationship between organellar three-dimensional configurations and morphometrical parameters.

Synthesis and crystal structure of chromium-bearing anhydrous wadsleyite

NASA Astrophysics Data System (ADS)

Sirotkina, E. A.; Bindi, L.; Bobrov, A. V.; Aksenov, S. M.; Irifune, T.

2018-04-01

A chromium-bearing wadsleyite (Cr- Wad) was synthesized in the model system Mg2SiO4-MgCr2O4 at 14 GPa and 1600 °C and studied from the chemical and structural point of views. Microprobe data gave the formula Mg1.930Cr0.120Si0.945O4, on the basis of 4 oxygen atoms. The crystal structure has been studied by single-crystal X-ray diffraction. The orthorhombic unit-cell parameters are: a = 5.6909(5) Å, b = 11.4640(10) Å, c = 8.2406(9) Å, V = 537.62(9) Å3, Z = 8. The structure, space group Imma, was refined to R 1 = 5.99% in anisotropic approximation using 1135 reflections with F o > 4σ( F o) and 43 parameters. Chromium was found to substitute for both Mg at the octahedral sites and Si at the tetrahedral site, according to the reaction VIMg2+ + IVSi4+ = VICr3+ + IVCr3+. On the whole, the structural topology is nearly identical to that of pure wadsleyite. The successful synthesis of Cr- Wad may be important for the thermobarometry of mantle phase associations.

Tunable multiband plasmonic response of indium antimonide touching microrings in the terahertz range.

PubMed

Moridsadat, Maryam; Golmohammadi, Saeed; Baghban, Hamed

2018-06-01

In this paper, we propose a terahertz (THz) plasmonic structure that supports three resonance modes, including the charge transfer plasmon (CTP), the bonding dipole-dipole plasmon, and the antibonding dipole-dipole plasmon, which can be strongly tuned by geometrical parameters, passively, and the temperature, actively. The structure exhibits a considerable thermal sensitivity of more than 0.01 THz/K. The introduced multiband and tunable THz plasmonic structures offer important applications in thermal switches, thermo-optical modulators, broadband filters, design of multifunctional molecules originating from the multiband specification of the proposed structure, and improvement in plasmonic sensor applications stemming from a detailed study of the CTP mode.

Profile-Likelihood Approach for Estimating Generalized Linear Mixed Models with Factor Structures

ERIC Educational Resources Information Center

Jeon, Minjeong; Rabe-Hesketh, Sophia

2012-01-01

In this article, the authors suggest a profile-likelihood approach for estimating complex models by maximum likelihood (ML) using standard software and minimal programming. The method works whenever setting some of the parameters of the model to known constants turns the model into a standard model. An important class of models that can be…

Flexural behaviour of RCC beams with externally bonded FRP

NASA Astrophysics Data System (ADS)

Vignesh, S. Arun; Sumathi, A.; Saravana Raja Mohan, K.

2017-07-01

The increasing use of carbon and glass fibre reinforced polymer (FRP) sheets for strengthening existing reinforced concrete beams has generated considerable interest in understanding the behavior of the FRP sheets when subjected to bending. The study on flexure includes various parameters like percentage of increase in strength of the member due to the externally bonded Fiber reinforced polymer, examining the crack patterns, reasons of debonding of the fibre from the structure, scaling, convenience of using the fibres, cost effectiveness etc. The present work aims to study experimentally about the reasons behind the failure due to flexure of an EB-FRP concrete beam by studying the various parameters. Deflection control may become as important as flexural strength for the design of FRPreinforced concrete structures. A numerical model is created using FEM software and the results are compared with that of the experiment.

Interplay of stereoelectronic and enviromental effects in tuning the structural and magnetic properties of a prototypical spin probe: further insights from a first principle dynamical approach.

PubMed

Pavone, Michele; Cimino, Paola; De Angelis, Filippo; Barone, Vincenzo

2006-04-05

The nitrogen isotropic hyperfine coupling constant (hcc) and the g tensor of a prototypical spin probe (di-tert-butyl nitroxide, DTBN) in aqueous solution have been investigated by means of an integrated computational approach including Car-Parrinello molecular dynamics and quantum mechanical calculations involving a discrete-continuum embedding. The quantitative agreement between computed and experimental parameters fully validates our integrated approach. Decoupling of the structural, dynamical, and environmental contributions acting onto the spectral observables allows an unbiased judgment of the role played by different effects in determining the overall experimental observables and highlights the importance of finite-temperature vibrational averaging. Together with their intrinsic interest, our results pave the route toward more reliable interpretations of EPR parameters of complex systems of biological and technological relevance.

A New Calibration Method for Commercial RGB-D Sensors

PubMed Central

Darwish, Walid; Tang, Shenjun; Li, Wenbin; Chen, Wu

2017-01-01

Commercial RGB-D sensors such as Kinect and Structure Sensors have been widely used in the game industry, where geometric fidelity is not of utmost importance. For applications in which high quality 3D is required, i.e., 3D building models of centimeter-level accuracy, accurate and reliable calibrations of these sensors are required. This paper presents a new model for calibrating the depth measurements of RGB-D sensors based on the structured light concept. Additionally, a new automatic method is proposed for the calibration of all RGB-D parameters, including internal calibration parameters for all cameras, the baseline between the infrared and RGB cameras, and the depth error model. When compared with traditional calibration methods, this new model shows a significant improvement in depth precision for both near and far ranges. PMID:28538695

Chimera regimes in a ring of oscillators with local nonlinear interaction

NASA Astrophysics Data System (ADS)

Shepelev, Igor A.; Zakharova, Anna; Vadivasova, Tatiana E.

2017-03-01

One of important problems concerning chimera states is the conditions of their existence and stability. Until now, it was assumed that chimeras could arise only in ensembles with nonlocal character of interactions. However, this assumption is not exactly right. In some special cases chimeras can be realized for local type of coupling [1-3]. We propose a simple model of ensemble with local coupling when chimeras are realized. This model is a ring of linear oscillators with the local nonlinear unidirectional interaction. Chimera structures in the ring are found using computer simulations for wide area of values of parameters. Diagram of the regimes on plane of control parameters is plotted and scenario of chimera destruction are studied when the parameters are changed.

Finite element analysis of history-dependent damage in time-dependent fracture mechanics

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

Krishnaswamy, P.; Brust, F.W.; Ghadiali, N.D.

1993-11-01

The demands for structural systems to perform reliably under both severe and changing operating conditions continue to increase. Under these conditions time-dependent straining and history-dependent damage become extremely important. This work focuses on studying creep crack growth using finite element (FE) analysis. Two important issues, namely, (1) the use of history-dependent constitutive laws, and (2) the use of various fracture parameters in predicting creep crack growth, have both been addressed in this work. The constitutive model used here is the one developed by Murakami and Ohno and is based on the concept of a creep hardening surface. An implicit FEmore » algorithm for this model was first developed and verified for simple geometries and loading configurations. The numerical methodology developed here has been used to model stationary and growing cracks in CT specimens. Various fracture parameters such as the C[sub 1], C[sup *], T[sup *], J were used to compare the numerical predictions with experimental results available in the literature. A comparison of the values of these parameters as a function of time has been made for both stationary and growing cracks. The merit of using each of these parameters has also been discussed.« less

Sobol' sensitivity analysis for stressor impacts on honeybee ...

EPA Pesticide Factsheets

We employ Monte Carlo simulation and nonlinear sensitivity analysis techniques to describe the dynamics of a bee exposure model, VarroaPop. Daily simulations are performed of hive population trajectories, taking into account queen strength, foraging success, mite impacts, weather, colony resources, population structure, and other important variables. This allows us to test the effects of defined pesticide exposure scenarios versus controlled simulations that lack pesticide exposure. The daily resolution of the model also allows us to conditionally identify sensitivity metrics. We use the variancebased global decomposition sensitivity analysis method, Sobol’, to assess firstand secondorder parameter sensitivities within VarroaPop, allowing us to determine how variance in the output is attributed to each of the input variables across different exposure scenarios. Simulations with VarroaPop indicate queen strength, forager life span and pesticide toxicity parameters are consistent, critical inputs for colony dynamics. Further analysis also reveals that the relative importance of these parameters fluctuates throughout the simulation period according to the status of other inputs. Our preliminary results show that model variability is conditional and can be attributed to different parameters depending on different timescales. By using sensitivity analysis to assess model output and variability, calibrations of simulation models can be better informed to yield more

Changes of hydrodynamic parameters on mountain stream bed within the block ramp influence and possibility of their use for integrated river management

NASA Astrophysics Data System (ADS)

Radecki-Pawlik, Artur; Plesiński, Karol

2016-04-01

In modern river management practices and philosophy one can notice coming more into use ecological friendly hydraulic structures. Those, which are especially needed for river training works, as far as expectation of Water Framework Directive is concerned, are block ramps which are hydraulic structures working similar to riffles known very well from fluvial geomorphology studies and are natural features in streams and rivers. What is important well designed block ramps do not stop fish and invertebrates against migrating, provide natural and esthetical view being built within the river channel, still working as hydraulic engineering structures and might be used in river management in different river ecosystems. The main aim of the research was to describe changes of values of hydrodynamics parameters upstream and downstream of the block ramps and to find out their influence on hydrodynamics of the stream. The study was undertaken on the Porębianka River in the Gorce Mountains, Polish Carpathians. Observed hydrodynamic parameters within the reach of the block ramps depend on the location of measuring point and the influence of individual part of the structure. We concluded that: 1. Hydrodynamic parameters close to block ramps depend on the location of the measurement points in relation to particular elements of the structure; 2. The highest value of velocities don't cause the highest force values, which acting on the bed of the watercourse, because they are rather related to the water level of the channel; 3. The values of mean velocities, shear velocities and shear stresses were similar upstream and downstream the block ramps, which means that the structures stabilize the river bed. This study was performed within the scope of the Science Activity money from Ministry of High Education and Young Scientist's Activity Money of Department of Hydraulics Engineering and Geotechnique, University of Agriculture, Cracow, Poland

Damage detection of rotating wind turbine blades using local flexibility method and long-gauge fiber Bragg grating sensors

NASA Astrophysics Data System (ADS)

Hsu, Ting-Yu; Shiao, Shen-Yuan; Liao, Wen-I.

2018-01-01

Wind turbines are a cost-effective alternative energy source; however, their blades are susceptible to damage. Therefore, damage detection of wind turbine blades is of great importance for condition monitoring of wind turbines. Many vibration-based structural damage detection techniques have been proposed in the last two decades. The local flexibility method, which can determine local stiffness variations of beam-like structures by using measured modal parameters, is one of the most promising vibration-based approaches. The local flexibility method does not require a finite element model of the structure. A few structural modal parameters identified from the ambient vibration signals both before and after damage are required for this method. In this study, we propose a damage detection approach for rotating wind turbine blades using the local flexibility method based on the dynamic macro-strain signals measured by long-gauge fiber Bragg grating (FBG)-based sensors. A small wind turbine structure was constructed and excited using a shaking table to generate vibration signals. The structure was designed to have natural frequencies as close as possible to those of a typical 1.5 MW wind turbine in real scale. The optical fiber signal of the rotating blades was transmitted to the data acquisition system through a rotary joint fixed inside the hollow shaft of the wind turbine. Reversible damage was simulated by aluminum plates attached to some sections of the wind turbine blades. The damaged locations of the rotating blades were successfully detected using the proposed approach, with the extent of damage somewhat over-estimated. Nevertheless, although the specimen of wind turbine blades cannot represent a real one, the results still manifest that FBG-based macro-strain measurement has potential to be employed to obtain the modal parameters of the rotating wind turbines and then locations of wind turbine segments with a change of rigidity can be estimated effectively by utilizing these identified parameters.

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.

The structure of the ISM in the Zone of Avoidance by high-resolution multi-wavelength observations

NASA Astrophysics Data System (ADS)

Tóth, L. V.; Doi, Y.; Pinter, S.; Kovács, T.; Zahorecz, S.; Bagoly, Z.; Balázs, L. G.; Horvath, I.; Racz, I. I.; Onishi, T.

2018-05-01

We estimate the column density of the Galactic foreground interstellar medium (GFISM) in the direction of extragalactic sources. All-sky AKARI FIS infrared sky survey data might be used to trace the GFISM with a resolution of 2 arcminutes. The AKARI based GFISM hydrogen column density estimates are compared with similar quantities based on HI 21cm measurements of various resolution and of Planck results. High spatial resolution observations of the GFISM may be important recalculating the physical parameters of gamma-ray burst (GRB) host galaxies using the updated foreground parameters.

Real-time flutter analysis

NASA Technical Reports Server (NTRS)

Walker, R.; Gupta, N.

1984-01-01

The important algorithm issues necessary to achieve a real time flutter monitoring system; namely, the guidelines for choosing appropriate model forms, reduction of the parameter convergence transient, handling multiple modes, the effect of over parameterization, and estimate accuracy predictions, both online and for experiment design are addressed. An approach for efficiently computing continuous-time flutter parameter Cramer-Rao estimate error bounds were developed. This enables a convincing comparison of theoretical and simulation results, as well as offline studies in preparation for a flight test. Theoretical predictions, simulation and flight test results from the NASA Drones for Aerodynamic and Structural Test (DAST) Program are compared.

3D Photonic Crystals Build Up By Self-Organization Of Nanospheres

DTIC Science & Technology

2006-05-23

variance for simple tetragonal Vst , of which general form is defined in Equation (5), could be an important parameter affecting band structure, and it is...plotted along with gap size both as a function of lattice parameter ratio c/a in Figure 2. Apparently, the inverse of variance, i.e. 1/ Vst , shows a...possible. 0.8 1.0 1.2 1.4 1.6 1.8 -2 0 2 4 6 8 10 12 14 16 18 20 22 24 26 gap size (%) 1/ Vst c/a of simple tetragonal g ap s iz e (% ) 0.85 0.86

Molecular dynamics of reversible self-healing materials

NASA Astrophysics Data System (ADS)

Madden, Ian; Luijten, Erik

Hydrolyzable polymers have numerous industrial applications as degradable materials. Recent experimental work by Cheng and co-workers has introduced the concept of hindered urea bond (HUB) chemistry to design self-healing systems. Important control parameters are the steric hindrance of the HUB structures, which is used to tune the hydrolytic degradation kinetics, and their density. We employ molecular dynamics simulations of polymeric interfaces to systematically explore the role of these properties in a coarse-grained model, and make direct comparison to experimental data. Our model provides direct insight into the self-healing process, permitting optimization of the control parameters.

Regression techniques for oceanographic parameter retrieval using space-borne microwave radiometry

NASA Technical Reports Server (NTRS)

Hofer, R.; Njoku, E. G.

1981-01-01

Variations of conventional multiple regression techniques are applied to the problem of remote sensing of oceanographic parameters from space. The techniques are specifically adapted to the scanning multichannel microwave radiometer (SMRR) launched on the Seasat and Nimbus 7 satellites to determine ocean surface temperature, wind speed, and atmospheric water content. The retrievals are studied primarily from a theoretical viewpoint, to illustrate the retrieval error structure, the relative importances of different radiometer channels, and the tradeoffs between spatial resolution and retrieval accuracy. Comparisons between regressions using simulated and actual SMMR data are discussed; they show similar behavior.

A Study on Ultraviolet Protection of 100% Cotton Knitted Fabric: Effect of Fabric Parameters

PubMed Central

Kan, C. W.

2014-01-01

The effect of fabric parameters such as weight, thickness, and stitch density on the ultraviolet (UV) protection of knitted fabrics was studied. Different knitting structures such as plain, pineapple, lacoste, and other combinations of different knitting stitches of knit, tuck, and miss as well as half milano, full milano, half cardigan, full cardigan, 1 × 1 rib, and interlock were prepared. Experimental results revealed that weight was the most important factor that affected UV protection while thickness and stitch density were not the leading factor in determining UV protection. PMID:24955409

The State-of-the-Art of Materials Technology Used for Fossil and Nuclear Power Plants in China

NASA Astrophysics Data System (ADS)

Weng, Yuqing

Combined with the development of energy in China during the past 30 years, this paper clarified that high steam parameters ultra-supercritical (USC) coal-fired power plants and 1000MW nuclear power plants are the most important method to optimize energy structure and achieve national goals of energy saving and CO2 emission in China. Additionally, requirement of materials technology in high steam parameters USC coal-fired power plants and 1000MW nuclear power plants, current research and major development of relevant materials technology in China were briefly described in this paper.

Inflight thermodynamic properties

NASA Technical Reports Server (NTRS)

Brown, S. C.; Daniels, G. E.; Johnson, D. L.; Smith, O. E.

1973-01-01

The inflight thermodynamic parameters (temperature, pressure, and density) of the atmosphere are presented. Mean and extreme values of the thermodynamic parameters given here can be used in application of many aerospace problems, such as: (1) research and planning and engineering design of remote earth sensing systems; (2) vehicle design and development; and (3) vehicle trajectory analysis, dealing with vehicle thrust, dynamic pressure, aerodynamic drag, aerodynamic heating, vibration, structural and guidance limitations, and reentry analysis. Atmospheric density plays a very important role in most of the above problems. A subsection on reentry is presented, giving atmospheric models to be used for reentry heating, trajectory, etc., analysis.

Comparison of different filter methods for data assimilation in the unsaturated zone

NASA Astrophysics Data System (ADS)

Lange, Natascha; Berkhahn, Simon; Erdal, Daniel; Neuweiler, Insa

2016-04-01

The unsaturated zone is an important compartment, which plays a role for the division of terrestrial water fluxes into surface runoff, groundwater recharge and evapotranspiration. For data assimilation in coupled systems it is therefore important to have a good representation of the unsaturated zone in the model. Flow processes in the unsaturated zone have all the typical features of flow in porous media: Processes can have long memory and as observations are scarce, hydraulic model parameters cannot be determined easily. However, they are important for the quality of model predictions. On top of that, the established flow models are highly non-linear. For these reasons, the use of the popular Ensemble Kalman filter as a data assimilation method to estimate state and parameters in unsaturated zone models could be questioned. With respect to the long process memory in the subsurface, it has been suggested that iterative filters and smoothers may be more suitable for parameter estimation in unsaturated media. We test the performance of different iterative filters and smoothers for data assimilation with a focus on parameter updates in the unsaturated zone. In particular we compare the Iterative Ensemble Kalman Filter and Smoother as introduced by Bocquet and Sakov (2013) as well as the Confirming Ensemble Kalman Filter and the modified Restart Ensemble Kalman Filter proposed by Song et al. (2014) to the original Ensemble Kalman Filter (Evensen, 2009). This is done with simple test cases generated numerically. We consider also test examples with layering structure, as a layering structure is often found in natural soils. We assume that observations are water content, obtained from TDR probes or other observation methods sampling relatively small volumes. Particularly in larger data assimilation frameworks, a reasonable balance between computational effort and quality of results has to be found. Therefore, we compare computational costs of the different methods as well as the quality of open loop model predictions and the estimated parameters. Bocquet, M. and P. Sakov, 2013: Joint state and parameter estimation with an iterative ensemble Kalman smoother, Nonlinear Processes in Geophysics 20(5): 803-818. Evensen, G., 2009: Data assimilation: The ensemble Kalman filter. Springer Science & Business Media. Song, X.H., L.S. Shi, M. Ye, J.Z. Yang and I.M. Navon, 2014: Numerical comparison of iterative ensemble Kalman filters for unsaturated flow inverse modeling. Vadose Zone Journal 13(2), 10.2136/vzj2013.05.0083.

Rainfall runoff modelling of the Upper Ganga and Brahmaputra basins using PERSiST.

PubMed

Futter, M N; Whitehead, P G; Sarkar, S; Rodda, H; Crossman, J

2015-06-01

There are ongoing discussions about the appropriate level of complexity and sources of uncertainty in rainfall runoff models. Simulations for operational hydrology, flood forecasting or nutrient transport all warrant different levels of complexity in the modelling approach. More complex model structures are appropriate for simulations of land-cover dependent nutrient transport while more parsimonious model structures may be adequate for runoff simulation. The appropriate level of complexity is also dependent on data availability. Here, we use PERSiST; a simple, semi-distributed dynamic rainfall-runoff modelling toolkit to simulate flows in the Upper Ganges and Brahmaputra rivers. We present two sets of simulations driven by single time series of daily precipitation and temperature using simple (A) and complex (B) model structures based on uniform and hydrochemically relevant land covers respectively. Models were compared based on ensembles of Bayesian Information Criterion (BIC) statistics. Equifinality was observed for parameters but not for model structures. Model performance was better for the more complex (B) structural representations than for parsimonious model structures. The results show that structural uncertainty is more important than parameter uncertainty. The ensembles of BIC statistics suggested that neither structural representation was preferable in a statistical sense. Simulations presented here confirm that relatively simple models with limited data requirements can be used to credibly simulate flows and water balance components needed for nutrient flux modelling in large, data-poor basins.

Thermal Transport at Solid-Liquid Interfaces: High Pressure Facilitates Heat Flow through Nonlocal Liquid Structuring.

PubMed

Han, Haoxue; Mérabia, Samy; Müller-Plathe, Florian

2017-05-04

The integration of three-dimensional microelectronics is hampered by overheating issues inherent to state-of-the-art integrated circuits. Fundamental understanding of heat transfer across soft-solid interfaces is important for developing efficient heat dissipation capabilities. At the microscopic scale, the formation of a dense liquid layer at the solid-liquid interface decreases the interfacial heat resistance. We show through molecular dynamics simulations of n-perfluorohexane on a generic wettable surface that enhancement of the liquid structure beyond a single adsorbed layer drastically enhances interfacial heat conductance. Pressure is used to control the extent of the liquid layer structure. The interfacial thermal conductance increases with pressure values up to 16.2 MPa at room temperature. Furthermore, it is shown that liquid structuring enhances the heat-transfer rate of high-energy lattice waves by broadening the transmission peaks in the heat flux spectrum. Our results show that pressure is an important external parameter that may be used to control interfacial heat conductance at solid-soft interfaces.

Simulations of Scatterometry Down to 22 nm Structure Sizes and Beyond with Special Emphasis on LER

NASA Astrophysics Data System (ADS)

Osten, W.; Ferreras Paz, V.; Frenner, K.; Schuster, T.; Bloess, H.

2009-09-01

In recent years, scatterometry has become one of the most commonly used methods for CD metrology. With decreasing structure size for future technology nodes, the search for optimized scatterometry measurement configurations gets more important to exploit maximum sensitivity. As widespread industrial scatterometry tools mainly still use a pre-set measurement configuration, there are still free parameters to improve sensitivity. Our current work uses a simulation based approach to predict and optimize sensitivity of future technology nodes. Since line edge roughness is getting important for such small structures, these imperfections of the periodic continuation cannot be neglected. Using fourier methods like e.g. rigorous coupled wave approach (RCWA) for diffraction calculus, nonperiodic features are hard to reach. We show that in this field certain types of fieldstitching methods show nice numerical behaviour and lead to useful results.

Coupling of electromagnetics and structural/fluid dynamics - application to the dual coolant blanket subjected to plasma disruptions

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

Jordan, T.

Some aspects concerning the coupling of quasi-stationary electromagnetics and the dynamics of structure and fluid are investigated. The necessary equations are given in a dimensionless form. The dimensionless parameters in these equations are used to evaluate the importance of the different coupling effects. A finite element formulation of the eddy-current damping in solid structures is developed. With this formulation, an existing finite element method (FEM) structural dynamics code is extended and coupled to an FEM eddy-current code. With this program system, the influence of the eddy-current damping on the dynamic loading of the dual coolant blanket during a centered plasmamore » disruption is determined. The analysis proves that only in loosely fixed or soft structures will eddy-current damping considerably reduce the resulting stresses. Additionally, the dynamic behavior of the liquid metal in the blankets` poloidal channels is described with a simple two-dimensional magnetohydrodynamic approach. The analysis of the dimensionless parameters shows that for small-scale experiments, which are designed to model the coupled electromagnetic and structural/fluid dynamic effects in such a blanket, the same magnetic fields must be applied as in the real fusion device. This will be the easiest way to design experiments that produce transferable results. 10 refs., 7 figs.« less

Insight of Dogs' Inner Mandible Anatomy using Mathematical Models.

PubMed

Santos, M; Carreira, L M

2016-12-01

This study was performed in a sample of 20 dogs (n = 20) and aimed to: (1) characterize the mandible height (Mh), mandibular canal height (MCh) and distance between the inter-dental alveolar margin and the mandibular canal (dIAM-MC) dimensions, and (2) to develop mathematical models that express the insight's mandible anatomy of those important mandible structural elements allowing the prediction of their dimensions using physical parameters such as patient body weight (Wg) and the canine tooth width at the free gingival margin level-(wCGM). Lateral-view X-rays of both sides of the skull were taken for all the individuals. Three mathematical prediction models were developed to calculate Mh, MCh and dIAM-MC. Achieved proportions of the mandible considered parameters regarding its height were of 36.45% for MCh, 50.90% for dMAI-MC and 12.65% for vMC. Statistically significant differences were registered between the Wg and wCGM (P = 0.00), Mh (P = 0.00), MCh (P = 0.00) and dIAM-MC (P = 0.00). Only the Wg presented a strong correlation with the wCGM (R = 0.58), Mh (R = 0.70), dIAM-MC (R = 0.60) and MCh (R = 0.68). These models will allow a clinician to estimate the size of the mandible structures by only using data obtained during the physiological examination, with a sufficiently high prediction capacity and a very low standard error. The study points out the relationships of physiological parameters such as Wg and wCGM with mandible anatomical structural elements considered as important in oral surgery. The results of this study give the surgeon a new additional tool providing more information on the mandible anatomical structures and its relationships. This reduces the risk of iatrogenic lesions during the oral surgical procedures and improves patient safety. © 2016 Blackwell Verlag GmbH.

Structure-function characterization of the human mitochondrial thiamin pyrophosphate transporter (hMTPPT; SLC25A19): Important roles for Ile(33), Ser(34), Asp(37), His(137) and Lys(291).

PubMed

Sabui, Subrata; Subramanian, Veedamali S; Kapadia, Rubina; Said, Hamid M

2016-08-01

Thiamin plays a critical role in cellular energy metabolism. Mammalian cells obtain the vitamin from their surroundings, converted it to thiamin pyrophosphate (TPP) in the cytoplasm, followed by uptake of TPP by mitochondria via a carrier-mediated process that involves the MTPPT (product of the SLC25A19 gene). Previous studies have characterized different physiological/biological aspects of the human MTPPT (hMTPPT), but less is known about structural features that are important for its function. Here, we used a protein-docking model ("Phyre2" and "DockingServer") to predict residues that may be important for function (substrate recognition) of the hMTPPT; we also examined the role of conserved positively-charged residues predicted ("PRALINE") to be in the trans-membrane domains (TMDs) in uptake of the negatively-charged TPP. Among the six residues predicted by the docking model (i.e., Thr(29), Arg(30), Ile(33), Ser(34), Asp(37) and Phe(298)), only Ile(33), Ser(34) and Asp(37) were found to be critical for function. While no change in translational efficiency/protein stability of the Ser(34) mutant was observed, both the Ile(33) and Asp(37) mutants showed a decrease in this parameter(s); there was also a decrease in the expression of the latter two mutants in mitochondria. A need for a polar residue at position 34 of the hMTPPT was evident. Our findings with the positively-charged residues (i.e., His(82), His(137), Lys(231) and Lys(291)) predicted in the TMD showed that His(137) and Lys(291) are important for function (via a role in proper delivery of the protein to mitochondria). These investigations provide important information about the structure-function relationship of the hMTPPT. Copyright © 2016 Elsevier B.V. All rights reserved.

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

VMD-SS: A graphical user interface plug-in to calculate the protein secondary structure in VMD program.

PubMed

Yahyavi, Masoumeh; Falsafi-Zadeh, Sajad; Karimi, Zahra; Kalatarian, Giti; Galehdari, Hamid

2014-01-01

The investigation on the types of secondary structure (SS) of a protein is important. The evolution of secondary structures during molecular dynamics simulations is a useful parameter to analyze protein structures. Therefore, it is of interest to describe VMD-SS (a software program) for the identification of secondary structure elements and its trajectories during simulation for known structures available at the Protein Data Bank (PDB). The program helps to calculate (1) percentage SS, (2) SS occurrence in each residue, (3) percentage SS during simulation, and (4) percentage residues in all SS types during simulation. The VMD-SS plug-in was designed using TCL script and stride to calculate secondary structure features. The database is available for free at http://science.scu.ac.ir/HomePage.aspx?TabID=13755.

Study on safety level of RC beam bridges under earthquake

NASA Astrophysics Data System (ADS)

Zhao, Jun; Lin, Junqi; Liu, Jinlong; Li, Jia

2017-08-01

This study considers uncertainties in material strengths and the modeling which have important effects on structural resistance force based on reliability theory. After analyzing the destruction mechanism of a RC bridge, structural functions and the reliability were given, then the safety level of the piers of a reinforced concrete continuous girder bridge with stochastic structural parameters against earthquake was analyzed. Using response surface method to calculate the failure probabilities of bridge piers under high-level earthquake, their seismic reliability for different damage states within the design reference period were calculated applying two-stage design, which describes seismic safety level of the built bridges to some extent.

(abstract) Oblique Insonification Ultrasonic NDE of Composite Materials for Space Applications

NASA Technical Reports Server (NTRS)

Bar-Cohen, Y.; Lih, S. S.; Mal, A. K.

1997-01-01

In recent years, a great deal of research has been exerted to developing NDE methods for the characterization of the material properties of composites as well as other space structural materials. The need for information about such parameters as the elastic properties, density, and thickness are critical to the safe design and operation of such structural materials. Ultrasonics using immersion methods has played an important role in these efforts due to its capability, cost effectiveness, and ease of use. The authors designed a series of ultrasonic oblique insonification experiments in order to develop a practical field applicable NDE method for space structures.

Data on optimum recycle aggregate content in production of new structural concrete.

PubMed

Paul, Suvash Chandra

2017-12-01

This data presented herein are the research summary of "mechanical behavior and durability performance of concrete containing recycled concrete aggregate" (Paul, 2011) [1]. The results reported in this article relate to an important parameter of optimum content of recycle concrete aggregate (RCA) in production of new concrete for both structural and non-structural applications. For the purpose of the research various types of physical, mechanical and durability tests are performed for concrete made with different percentages of RCA. Therefore, this data set can be a great help of the readers to understand the mechanism of RCA in relates to the concrete properties.

[Effects of ecosystem structure on the organic aggregates physical and chemical parameters of Lake Taihu].

PubMed

Chao, Jian-Ying; Gao, Guang; Tang, Xiang-Ming; Shen, Yan; Zhu, Li-Ping

2009-11-01

The abundance, organic matter content and chemical composition of organic aggregation (OA) were monitored in Lake Taihu in different ecotype sites from January to December in 2007, and other water physical and chemical parameters were concomitantly monitored. The OA abundance was increasing along regional and P-enrichment gradients, and there were significant differences in OA characteristic in different ecotypes. Moreover, wind is one important factor that contributes to OA characteristic in Lake Taihu. OA maybe one potential important nutrient source in lake water for its high enrichment factors of nutrition: the concentrations of P and N in the OA were much higher than that of in the water; more than one third (43.3%) of TP could be attributed to the OA-P, and that number of OA-N is 16.5%.

Complexity of generic biochemical circuits: topology versus strength of interactions.

PubMed

Tikhonov, Mikhail; Bialek, William

2016-12-06

The historical focus on network topology as a determinant of biological function is still largely maintained today, illustrated by the rise of structure-only approaches to network analysis. However, biochemical circuits and genetic regulatory networks are defined both by their topology and by a multitude of continuously adjustable parameters, such as the strength of interactions between nodes, also recognized as important. Here we present a class of simple perceptron-based Boolean models within which comparing the relative importance of topology versus interaction strengths becomes a quantitatively well-posed problem. We quantify the intuition that for generic networks, optimization of interaction strengths is a crucial ingredient of achieving high complexity, defined here as the number of fixed points the network can accommodate. We propose a new methodology for characterizing the relative role of parameter optimization for topologies of a given class.

Toward Understanding Drug Incorporation and Delivery from Biocompatible Metal-Organic Frameworks in View of Cutaneous Administration.

PubMed

Rojas, Sara; Colinet, Isabel; Cunha, Denise; Hidalgo, Tania; Salles, Fabrice; Serre, Christian; Guillou, Nathalie; Horcajada, Patricia

2018-03-31

Although metal-organic frameworks (MOFs) have widely demonstrated their convenient performances as drug-delivery systems, there is still work to do to fully understand the drug incorporation/delivery processes from these materials. In this work, a combined experimental and computational investigation of the main structural and physicochemical parameters driving drug adsorption/desorption kinetics was carried out. Two model drugs (aspirin and ibuprofen) and three water-stable, biocompatible MOFs (MIL-100(Fe), UiO-66(Zr), and MIL-127(Fe)) have been selected to obtain a variety of drug-matrix couples with different structural and physicochemical characteristics. This study evidenced that the drug-loading and drug-delivery processes are mainly governed by structural parameters (accessibility of the framework and drug volume) as well as the MOF/drug hydrophobic/hydrophilic balance. As a result, the delivery of the drug under simulated cutaneous conditions (aqueous media at 37 °C) demonstrated that these systems fulfill the requirements to be used as topical drug-delivery systems, such as released payload between 1 and 7 days. These results highlight the importance of the rational selection of MOFs, evidencing the effect of geometrical and chemical parameters of both the MOF and the drug on the drug adsorption and release.

Toward Understanding Drug Incorporation and Delivery from Biocompatible Metal–Organic Frameworks in View of Cutaneous Administration

PubMed Central

2018-01-01

Although metal–organic frameworks (MOFs) have widely demonstrated their convenient performances as drug-delivery systems, there is still work to do to fully understand the drug incorporation/delivery processes from these materials. In this work, a combined experimental and computational investigation of the main structural and physicochemical parameters driving drug adsorption/desorption kinetics was carried out. Two model drugs (aspirin and ibuprofen) and three water-stable, biocompatible MOFs (MIL-100(Fe), UiO-66(Zr), and MIL-127(Fe)) have been selected to obtain a variety of drug–matrix couples with different structural and physicochemical characteristics. This study evidenced that the drug-loading and drug-delivery processes are mainly governed by structural parameters (accessibility of the framework and drug volume) as well as the MOF/drug hydrophobic/hydrophilic balance. As a result, the delivery of the drug under simulated cutaneous conditions (aqueous media at 37 °C) demonstrated that these systems fulfill the requirements to be used as topical drug-delivery systems, such as released payload between 1 and 7 days. These results highlight the importance of the rational selection of MOFs, evidencing the effect of geometrical and chemical parameters of both the MOF and the drug on the drug adsorption and release. PMID:29623304

Data integration for inference about spatial processes: A model-based approach to test and account for data inconsistency

PubMed Central

Pedrini, Paolo; Bragalanti, Natalia; Groff, Claudio

2017-01-01

Recently-developed methods that integrate multiple data sources arising from the same ecological processes have typically utilized structured data from well-defined sampling protocols (e.g., capture-recapture and telemetry). Despite this new methodological focus, the value of opportunistic data for improving inference about spatial ecological processes is unclear and, perhaps more importantly, no procedures are available to formally test whether parameter estimates are consistent across data sources and whether they are suitable for integration. Using data collected on the reintroduced brown bear population in the Italian Alps, a population of conservation importance, we combined data from three sources: traditional spatial capture-recapture data, telemetry data, and opportunistic data. We developed a fully integrated spatial capture-recapture (SCR) model that included a model-based test for data consistency to first compare model estimates using different combinations of data, and then, by acknowledging data-type differences, evaluate parameter consistency. We demonstrate that opportunistic data lend itself naturally to integration within the SCR framework and highlight the value of opportunistic data for improving inference about space use and population size. This is particularly relevant in studies of rare or elusive species, where the number of spatial encounters is usually small and where additional observations are of high value. In addition, our results highlight the importance of testing and accounting for inconsistencies in spatial information from structured and unstructured data so as to avoid the risk of spurious or averaged estimates of space use and consequently, of population size. Our work supports the use of a single modeling framework to combine spatially-referenced data while also accounting for parameter consistency. PMID:28973034

Definition, Detection and Generation of Iyashi Expressions

NASA Astrophysics Data System (ADS)

Kitaoka, Tetsuko; Diago, Luis A.; Hagiwara, Ichiro; Kitazaki, Satoshi; Yamane, Shigeru

This paper concerns the engineering analysis of “Iyashi”, a peculiar concept to the Japanese, which affect person's heart and may change their expression and behavior. We have integrated the advocator's view of “Iyashi”, analyzed the social background of “Iyashi” and have defined Iyashi and also the Iyashi expression. As the facial expression is the special and important stimulus for both observers and people who show expressions, we want to prove the existence of expressions that change the observer's emotion with Iyashi. We have developed the system to clarify the combination of facial features important for Iyashi through the psychological experiments and the analysis by Holographic Neural Networks (HNN). HNN analysis gave the structure of the Iyashi expression, that is the important combination of the physical facial parameters contributing to the high degree of Iyashi. Based on the structure of Iyashi we are able to generate the Iyashi expression appropriate for each person.

Clustering algorithms for identifying core atom sets and for assessing the precision of protein structure ensembles.

PubMed

Snyder, David A; Montelione, Gaetano T

2005-06-01

An important open question in the field of NMR-based biomolecular structure determination is how best to characterize the precision of the resulting ensemble of structures. Typically, the RMSD, as minimized in superimposing the ensemble of structures, is the preferred measure of precision. However, the presence of poorly determined atomic coordinates and multiple "RMSD-stable domains"--locally well-defined regions that are not aligned in global superimpositions--complicate RMSD calculations. In this paper, we present a method, based on a novel, structurally defined order parameter, for identifying a set of core atoms to use in determining superimpositions for RMSD calculations. In addition we present a method for deciding whether to partition that core atom set into "RMSD-stable domains" and, if so, how to determine partitioning of the core atom set. We demonstrate our algorithm and its application in calculating statistically sound RMSD values by applying it to a set of NMR-derived structural ensembles, superimposing each RMSD-stable domain (or the entire core atom set, where appropriate) found in each protein structure under consideration. A parameter calculated by our algorithm using a novel, kurtosis-based criterion, the epsilon-value, is a measure of precision of the superimposition that complements the RMSD. In addition, we compare our algorithm with previously described algorithms for determining core atom sets. The methods presented in this paper for biomolecular structure superimposition are quite general, and have application in many areas of structural bioinformatics and structural biology.

Cation Selectivity in Biological Cation Channels Using Experimental Structural Information and Statistical Mechanical Simulation.

PubMed

Finnerty, Justin John; Peyser, Alexander; Carloni, Paolo

2015-01-01

Cation selective channels constitute the gate for ion currents through the cell membrane. Here we present an improved statistical mechanical model based on atomistic structural information, cation hydration state and without tuned parameters that reproduces the selectivity of biological Na+ and Ca2+ ion channels. The importance of the inclusion of step-wise cation hydration in these results confirms the essential role partial dehydration plays in the bacterial Na+ channels. The model, proven reliable against experimental data, could be straightforwardly used for designing Na+ and Ca2+ selective nanopores.

Quantitative structure parameters from the NMR spectroscopy of quadrupolar nuclei

DOE PAGES

Perras, Frederic A.

2015-12-15

Here, nuclear magnetic resonance (NMR) spectroscopy is one of the most important characterization tools in chemistry, however, 3/4 of the NMR active nuclei are underutilized due to their quadrupolar nature. This short review centers on the development of methods that use solid-state NMR of quadrupolar nuclei for obtaining quantitative structural information. Namely, techniques using dipolar recoupling as well as the resolution afforded by double-rotation are presented for the measurement of spin–spin coupling between quadrupoles, enabling the measurement of internuclear distances and connectivities.

Simulation of carbohydrates, from molecular docking to dynamics in water.

PubMed

Sapay, Nicolas; Nurisso, Alessandra; Imberty, Anne

2013-01-01

Modeling of carbohydrates is particularly challenging because of the variety of structures resulting for the high number of monosaccharides and possible linkages and also because of their intrinsic flexibility. The development of carbohydrate parameters for molecular modeling is still an active field. Nowadays, main carbohydrates force fields are GLYCAM06, CHARMM36, and GROMOS 45A4. GLYCAM06 includes the largest choice of compounds and is compatible with the AMBER force fields and associated. Furthermore, AMBER includes tools for the implementation of new parameters. When looking at protein-carbohydrate interaction, the choice of the starting structure is of importance. Such complex can be sometimes obtained from the Protein Data Bank-although the stereochemistry of sugars may require some corrections. When no experimental data is available, molecular docking simulation is generally used to the obtain protein-carbohydrate complex coordinates. As molecular docking parameters are not specifically dedicated to carbohydrates, inaccuracies should be expected, especially for the docking of polysaccharides. This issue can be addressed at least partially by combining molecular docking with molecular dynamics simulation in water.

Interception loss, throughfall and stemflow in a maritime pine stand. II. An application of Gash's analytical model of interception

NASA Astrophysics Data System (ADS)

Loustau, D.; Berbigier, P.; Granier, A.

1992-10-01

Interception, throughfall and stemflow were determined in an 18-year-old maritime pine stand for a period of 30 months. This involved 71 rainfall events, each corresponding either to a single storm or to several storms. Gash's analytical model of interception was used to estimate the sensitivity of interception to canopy structure and climatic parameters. The seasonal cumulative interception loss corresponded to 12.6-21.0% of the amount of rainfall, whereas throughfall and stemflow accounted for 77-83% and 1-6%, respectively. On a seasonal basis, simulated data fitted the measured data satisfactorily ( r2 = 0.75). The rainfall partitioning between interception, throughfall and stemflow was shown to be sensitive to (1) the rainfall regime, i.e. the relative importance of light storms to total rainfall, (2) the climatic parameters, rainfall rate and average evaporation rate during storms, and (3) the canopy structure parameters of the model. The low interception rate of the canopy was attributed primarily to the low leaf area index of the stand.

Changes in assembly processes in soil bacterial communities following a wildfire disturbance.

PubMed

Ferrenberg, Scott; O'Neill, Sean P; Knelman, Joseph E; Todd, Bryan; Duggan, Sam; Bradley, Daniel; Robinson, Taylor; Schmidt, Steven K; Townsend, Alan R; Williams, Mark W; Cleveland, Cory C; Melbourne, Brett A; Jiang, Lin; Nemergut, Diana R

2013-06-01

Although recent work has shown that both deterministic and stochastic processes are important in structuring microbial communities, the factors that affect the relative contributions of niche and neutral processes are poorly understood. The macrobiological literature indicates that ecological disturbances can influence assembly processes. Thus, we sampled bacterial communities at 4 and 16 weeks following a wildfire and used null deviation analysis to examine the role that time since disturbance has in community assembly. Fire dramatically altered bacterial community structure and diversity as well as soil chemistry for both time-points. Community structure shifted between 4 and 16 weeks for both burned and unburned communities. Community assembly in burned sites 4 weeks after fire was significantly more stochastic than in unburned sites. After 16 weeks, however, burned communities were significantly less stochastic than unburned communities. Thus, we propose a three-phase model featuring shifts in the relative importance of niche and neutral processes as a function of time since disturbance. Because neutral processes are characterized by a decoupling between environmental parameters and community structure, we hypothesize that a better understanding of community assembly may be important in determining where and when detailed studies of community composition are valuable for predicting ecosystem function.

Changes in assembly processes in soil bacterial communities following a wildfire disturbance

PubMed Central

Ferrenberg, Scott; O'Neill, Sean P; Knelman, Joseph E; Todd, Bryan; Duggan, Sam; Bradley, Daniel; Robinson, Taylor; Schmidt, Steven K; Townsend, Alan R; Williams, Mark W; Cleveland, Cory C; Melbourne, Brett A; Jiang, Lin; Nemergut, Diana R

2013-01-01

Although recent work has shown that both deterministic and stochastic processes are important in structuring microbial communities, the factors that affect the relative contributions of niche and neutral processes are poorly understood. The macrobiological literature indicates that ecological disturbances can influence assembly processes. Thus, we sampled bacterial communities at 4 and 16 weeks following a wildfire and used null deviation analysis to examine the role that time since disturbance has in community assembly. Fire dramatically altered bacterial community structure and diversity as well as soil chemistry for both time-points. Community structure shifted between 4 and 16 weeks for both burned and unburned communities. Community assembly in burned sites 4 weeks after fire was significantly more stochastic than in unburned sites. After 16 weeks, however, burned communities were significantly less stochastic than unburned communities. Thus, we propose a three-phase model featuring shifts in the relative importance of niche and neutral processes as a function of time since disturbance. Because neutral processes are characterized by a decoupling between environmental parameters and community structure, we hypothesize that a better understanding of community assembly may be important in determining where and when detailed studies of community composition are valuable for predicting ecosystem function. PMID:23407312

A review of parameters and heuristics for guiding metabolic pathfinding.

PubMed

Kim, Sarah M; Peña, Matthew I; Moll, Mark; Bennett, George N; Kavraki, Lydia E

2017-09-15

Recent developments in metabolic engineering have led to the successful biosynthesis of valuable products, such as the precursor of the antimalarial compound, artemisinin, and opioid precursor, thebaine. Synthesizing these traditionally plant-derived compounds in genetically modified yeast cells introduces the possibility of significantly reducing the total time and resources required for their production, and in turn, allows these valuable compounds to become cheaper and more readily available. Most biosynthesis pathways used in metabolic engineering applications have been discovered manually, requiring a tedious search of existing literature and metabolic databases. However, the recent rapid development of available metabolic information has enabled the development of automated approaches for identifying novel pathways. Computer-assisted pathfinding has the potential to save biochemists time in the initial discovery steps of metabolic engineering. In this paper, we review the parameters and heuristics used to guide the search in recent pathfinding algorithms. These parameters and heuristics capture information on the metabolic network structure, compound structures, reaction features, and organism-specificity of pathways. No one metabolic pathfinding algorithm or search parameter stands out as the best to use broadly for solving the pathfinding problem, as each method and parameter has its own strengths and shortcomings. As assisted pathfinding approaches continue to become more sophisticated, the development of better methods for visualizing pathway results and integrating these results into existing metabolic engineering practices is also important for encouraging wider use of these pathfinding methods.

Impact of chemical structure of flavanol monomers and condensed tannins on in vitro anthelmintic activity against bovine nematodes.

PubMed

Desrues, Olivier; Fryganas, Christos; Ropiak, Honorata M; Mueller-Harvey, Irene; Enemark, Heidi L; Thamsborg, Stig M

2016-04-01

Plants containing condensed tannins (CT) may have potential to control gastrointestinal nematodes (GIN) of cattle. The aim was to investigate the anthelmintic activities of four flavan-3-ols, two galloyl derivatives and 14 purified CT fractions, and to define which structural features of CT determine the anti-parasitic effects against the main cattle nematodes. We used in vitro tests targeting L1 larvae (feeding inhibition assay) and adults (motility assay) of Ostertagia ostertagi and Cooperia oncophora. In the larval feeding inhibition assay, O. ostertagi L1 were significantly more susceptible to all CT fractions than C. oncophora L1. The mean degree of polymerization of CT (i.e. average size) was the most important structural parameter: large CT reduced larval feeding more than small CT. The flavan-3-ols of prodelphinidin (PD)-type tannins had a stronger negative influence on parasite activity than the stereochemistry, i.e. cis- vs trans-configurations, or the presence of a gallate group. In contrast, for C. oncophora high reductions in the motility of larvae and adult worms were strongly related with a higher percentage of PDs within the CT fractions while there was no effect of size. Overall, the size and the percentage of PDs within CT seemed to be the most important parameters that influence anti-parasitic activity.

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.

Optimization study on structural analyses for the J-PARC mercury target vessel

NASA Astrophysics Data System (ADS)

Guan, Wenhai; Wakai, Eiichi; Naoe, Takashi; Kogawa, Hiroyuki; Wakui, Takashi; Haga, Katsuhiro; Takada, Hiroshi; Futakawa, Masatoshi

2018-06-01

The spallation neutron source at the Japan Proton Accelerator Research Complex (J-PARC) mercury target vessel is used for various materials science studies, work is underway to achieve stable operation at 1 MW. This is very important for enhancing the structural integrity and durability of the target vessel, which is being developed for 1 MW operation. In the present study, to reduce thermal stress and relax stress concentrations more effectively in the existing target vessel in J-PARC, an optimization approach called the Taguchi method (TM) is applied to thermo-mechanical analysis. The ribs and their relative parameters, as well as the thickness of the mercury vessel and shrouds, were selected as important design parameters for this investigation. According to the analytical results of 18 model types designed using the TM, the optimal design was determined. It is characterized by discrete ribs and a thicker vessel wall than the current design. The maximum thermal stresses in the mercury vessel and the outer shroud were reduced by 14% and 15%, respectively. Furthermore, it was indicated that variations in rib width, left/right rib intervals, and shroud thickness could influence the maximum thermal stress performance. It is therefore concluded that the TM was useful for optimizing the structure of the target vessel and to reduce the thermal stress in a small number of calculation cases.

Uncertainty analysis of multi-rate kinetics of uranium desorption from sediments

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

Zhang, Xiaoying; Liu, Chongxuan; Hu, Bill X.

2014-01-01

A multi-rate expression for uranyl [U(VI)] surface complexation reactions has been proposed to describe diffusion-limited U(VI) sorption/desorption in heterogeneous subsurface sediments. An important assumption in the rate expression is that its rate constants follow a certain type probability distribution. In this paper, a Bayes-based, Differential Evolution Markov Chain method was used to assess the distribution assumption and to analyze parameter and model structure uncertainties. U(VI) desorption from a contaminated sediment at the US Hanford 300 Area, Washington was used as an example for detail analysis. The results indicated that: 1) the rate constants in the multi-rate expression contain uneven uncertaintiesmore » with slower rate constants having relative larger uncertainties; 2) the lognormal distribution is an effective assumption for the rate constants in the multi-rate model to simualte U(VI) desorption; 3) however, long-term prediction and its uncertainty may be significantly biased by the lognormal assumption for the smaller rate constants; and 4) both parameter and model structure uncertainties can affect the extrapolation of the multi-rate model with a larger uncertainty from the model structure. The results provide important insights into the factors contributing to the uncertainties of the multi-rate expression commonly used to describe the diffusion or mixing-limited sorption/desorption of both organic and inorganic contaminants in subsurface sediments.« less

Determination of representative dimension parameter values of Korean knee joints for knee joint implant design.

PubMed

Kwak, Dai Soon; Tao, Quang Bang; Todo, Mitsugu; Jeon, Insu

2012-05-01

Knee joint implants developed by western companies have been imported to Korea and used for Korean patients. However, many clinical problems occur in knee joints of Korean patients after total knee joint replacement owing to the geometric mismatch between the western implants and Korean knee joint structures. To solve these problems, a method to determine the representative dimension parameter values of Korean knee joints is introduced to aid in the design of knee joint implants appropriate for Korean patients. Measurements of the dimension parameters of 88 male Korean knee joint subjects were carried out. The distribution of the subjects versus each measured parameter value was investigated. The measured dimension parameter values of each parameter were grouped by suitable intervals called the "size group," and average values of the size groups were calculated. The knee joint subjects were grouped as the "patient group" based on "size group numbers" of each parameter. From the iterative calculations to decrease the errors between the average dimension parameter values of each "patient group" and the dimension parameter values of the subjects, the average dimension parameter values that give less than the error criterion were determined to be the representative dimension parameter values for designing knee joint implants for Korean patients.

Parameters affecting mechanical and thermal responses in bone drilling: A review.

PubMed

Lee, JuEun; Chavez, Craig L; Park, Joorok

2018-04-11

Surgical bone drilling is performed variously to correct bone fractures, install prosthetics, or for therapeutic treatment. The primary concern in bone drilling is to extract donor bone sections and create receiving holes without damaging the bone tissue either mechanically or thermally. We review current results from experimental and theoretical studies to investigate the parameters related to such effects. This leads to a comprehensive understanding of the mechanical and thermal aspects of bone drilling to reduce their unwanted complications. This review examines the important bone-drilling parameters of bone structure, drill-bit geometry, operating conditions, and material evacuation, and considers the current techniques used in bone drilling. We then analyze the associated mechanical and thermal effects and their contributions to bone-drilling performance. In this review, we identify a favorable range for each parameter to reduce unwanted complications due to mechanical or thermal effects. Copyright © 2018 Elsevier Ltd. All rights reserved.

Catalogue of HI PArameters (CHIPA)

NASA Astrophysics Data System (ADS)

Saponara, J.; Benaglia, P.; Koribalski, B.; Andruchow, I.

2015-08-01

The catalogue of HI parameters of galaxies HI (CHIPA) is the natural continuation of the compilation by M.C. Martin in 1998. CHIPA provides the most important parameters of nearby galaxies derived from observations of the neutral Hydrogen line. The catalogue contains information of 1400 galaxies across the sky and different morphological types. Parameters like the optical diameter of the galaxy, the blue magnitude, the distance, morphological type, HI extension are listed among others. Maps of the HI distribution, velocity and velocity dispersion can also be display for some cases. The main objective of this catalogue is to facilitate the bibliographic queries, through searching in a database accessible from the internet that will be available in 2015 (the website is under construction). The database was built using the open source `` mysql (SQL, Structured Query Language, management system relational database) '', while the website was built with ''HTML (Hypertext Markup Language)'' and ''PHP (Hypertext Preprocessor)''.

Effect of tool geometry and cutting parameters on delamination and thrust forces in drilling CFRP/Al-Li

NASA Astrophysics Data System (ADS)

El Bouami, Souhail; Habak, Malek; Franz, Gérald; Velasco, Raphaël; Vantomme, Pascal

2016-10-01

Composite materials are increasingly used for structural parts in the aeronautic industries. Carbon Fiber-Reinforced Plastics (CFRP) are often used in combination with metallic materials, mostly aluminium alloys. This raises new problems in aircraft assembly. Delamination is one of these problems. In this study, CFRP/Al-Li stacks is used as experimental material for investigation effect of interaction of cutting parameters (cutting speed and feed rate) and tool geometry on delamination and thrust forces in drilling operation. A plan of experiments, based on Taguchi design method, was employed to investigate the influence of tool geometry and in particular the point angle and cutting parameters on delamination and axial effort. The experimental results demonstrate that the feed rate is the major parameter and the importance of tool point angle in delamination and thrust forces in the stacks were shown.

Reconstruction of biofilm images: combining local and global structural parameters

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

Resat, Haluk; Renslow, Ryan S.; Beyenal, Haluk

2014-10-20

Digitized images can be used for quantitative comparison of biofilms grown under different conditions. Using biofilm image reconstruction, it was previously found that biofilms with a completely different look can have nearly identical structural parameters and that the most commonly utilized global structural parameters were not sufficient to uniquely define these biofilms. Here, additional local and global parameters are introduced to show that these parameters considerably increase the reliability of the image reconstruction process. Assessment using human evaluators indicated that the correct identification rate of the reconstructed images increased from 50% to 72% with the introduction of the new parametersmore » into the reconstruction procedure. An expanded set of parameters especially improved the identification of biofilm structures with internal orientational features and of structures in which colony sizes and spatial locations varied. Hence, the newly introduced structural parameter sets helped to better classify the biofilms by incorporating finer local structural details into the reconstruction process.« less

Analysis of energy-based algorithms for RNA secondary structure prediction

PubMed Central

2012-01-01

Background RNA molecules play critical roles in the cells of organisms, including roles in gene regulation, catalysis, and synthesis of proteins. Since RNA function depends in large part on its folded structures, much effort has been invested in developing accurate methods for prediction of RNA secondary structure from the base sequence. Minimum free energy (MFE) predictions are widely used, based on nearest neighbor thermodynamic parameters of Mathews, Turner et al. or those of Andronescu et al. Some recently proposed alternatives that leverage partition function calculations find the structure with maximum expected accuracy (MEA) or pseudo-expected accuracy (pseudo-MEA) methods. Advances in prediction methods are typically benchmarked using sensitivity, positive predictive value and their harmonic mean, namely F-measure, on datasets of known reference structures. Since such benchmarks document progress in improving accuracy of computational prediction methods, it is important to understand how measures of accuracy vary as a function of the reference datasets and whether advances in algorithms or thermodynamic parameters yield statistically significant improvements. Our work advances such understanding for the MFE and (pseudo-)MEA-based methods, with respect to the latest datasets and energy parameters. Results We present three main findings. First, using the bootstrap percentile method, we show that the average F-measure accuracy of the MFE and (pseudo-)MEA-based algorithms, as measured on our largest datasets with over 2000 RNAs from diverse families, is a reliable estimate (within a 2% range with high confidence) of the accuracy of a population of RNA molecules represented by this set. However, average accuracy on smaller classes of RNAs such as a class of 89 Group I introns used previously in benchmarking algorithm accuracy is not reliable enough to draw meaningful conclusions about the relative merits of the MFE and MEA-based algorithms. Second, on our large datasets, the algorithm with best overall accuracy is a pseudo MEA-based algorithm of Hamada et al. that uses a generalized centroid estimator of base pairs. However, between MFE and other MEA-based methods, there is no clear winner in the sense that the relative accuracy of the MFE versus MEA-based algorithms changes depending on the underlying energy parameters. Third, of the four parameter sets we considered, the best accuracy for the MFE-, MEA-based, and pseudo-MEA-based methods is 0.686, 0.680, and 0.711, respectively (on a scale from 0 to 1 with 1 meaning perfect structure predictions) and is obtained with a thermodynamic parameter set obtained by Andronescu et al. called BL* (named after the Boltzmann likelihood method by which the parameters were derived). Conclusions Large datasets should be used to obtain reliable measures of the accuracy of RNA structure prediction algorithms, and average accuracies on specific classes (such as Group I introns and Transfer RNAs) should be interpreted with caution, considering the relatively small size of currently available datasets for such classes. The accuracy of the MEA-based methods is significantly higher when using the BL* parameter set of Andronescu et al. than when using the parameters of Mathews and Turner, and there is no significant difference between the accuracy of MEA-based methods and MFE when using the BL* parameters. The pseudo-MEA-based method of Hamada et al. with the BL* parameter set significantly outperforms all other MFE and MEA-based algorithms on our large data sets. PMID:22296803

Analysis of energy-based algorithms for RNA secondary structure prediction.

PubMed

Hajiaghayi, Monir; Condon, Anne; Hoos, Holger H

2012-02-01

RNA molecules play critical roles in the cells of organisms, including roles in gene regulation, catalysis, and synthesis of proteins. Since RNA function depends in large part on its folded structures, much effort has been invested in developing accurate methods for prediction of RNA secondary structure from the base sequence. Minimum free energy (MFE) predictions are widely used, based on nearest neighbor thermodynamic parameters of Mathews, Turner et al. or those of Andronescu et al. Some recently proposed alternatives that leverage partition function calculations find the structure with maximum expected accuracy (MEA) or pseudo-expected accuracy (pseudo-MEA) methods. Advances in prediction methods are typically benchmarked using sensitivity, positive predictive value and their harmonic mean, namely F-measure, on datasets of known reference structures. Since such benchmarks document progress in improving accuracy of computational prediction methods, it is important to understand how measures of accuracy vary as a function of the reference datasets and whether advances in algorithms or thermodynamic parameters yield statistically significant improvements. Our work advances such understanding for the MFE and (pseudo-)MEA-based methods, with respect to the latest datasets and energy parameters. We present three main findings. First, using the bootstrap percentile method, we show that the average F-measure accuracy of the MFE and (pseudo-)MEA-based algorithms, as measured on our largest datasets with over 2000 RNAs from diverse families, is a reliable estimate (within a 2% range with high confidence) of the accuracy of a population of RNA molecules represented by this set. However, average accuracy on smaller classes of RNAs such as a class of 89 Group I introns used previously in benchmarking algorithm accuracy is not reliable enough to draw meaningful conclusions about the relative merits of the MFE and MEA-based algorithms. Second, on our large datasets, the algorithm with best overall accuracy is a pseudo MEA-based algorithm of Hamada et al. that uses a generalized centroid estimator of base pairs. However, between MFE and other MEA-based methods, there is no clear winner in the sense that the relative accuracy of the MFE versus MEA-based algorithms changes depending on the underlying energy parameters. Third, of the four parameter sets we considered, the best accuracy for the MFE-, MEA-based, and pseudo-MEA-based methods is 0.686, 0.680, and 0.711, respectively (on a scale from 0 to 1 with 1 meaning perfect structure predictions) and is obtained with a thermodynamic parameter set obtained by Andronescu et al. called BL* (named after the Boltzmann likelihood method by which the parameters were derived). Large datasets should be used to obtain reliable measures of the accuracy of RNA structure prediction algorithms, and average accuracies on specific classes (such as Group I introns and Transfer RNAs) should be interpreted with caution, considering the relatively small size of currently available datasets for such classes. The accuracy of the MEA-based methods is significantly higher when using the BL* parameter set of Andronescu et al. than when using the parameters of Mathews and Turner, and there is no significant difference between the accuracy of MEA-based methods and MFE when using the BL* parameters. The pseudo-MEA-based method of Hamada et al. with the BL* parameter set significantly outperforms all other MFE and MEA-based algorithms on our large data sets.

Determine Earthquake Rupture Directivity Using Taiwan TSMIP Strong Motion Waveforms

NASA Astrophysics Data System (ADS)

Chang, Kaiwen; Chi, Wu-Cheng; Lai, Ying-Ju; Gung, YuanCheng

2013-04-01

Inverting seismic waveforms for the finite fault source parameters is important for studying the physics of earthquake rupture processes. It is also significant to image seismogenic structures in urban areas. Here we analyze the finite-source process and test for the causative fault plane using the accelerograms recorded by the Taiwan Strong-Motion Instrumentation Program (TSMIP) stations. The point source parameters for the mainshock and aftershocks were first obtained by complete waveform moment tensor inversions. We then use the seismograms generated by the aftershocks as empirical Green's functions (EGFs) to retrieve the apparent source time functions (ASTFs) of near-field stations using projected Landweber deconvolution approach. The method for identifying the fault plane relies on the spatial patterns of the apparent source time function durations which depend on the angle between rupture direction and the take-off angle and azimuth of the ray. These derived duration patterns then are compared with the theoretical patterns, which are functions of the following parameters, including focal depth, epicentral distance, average crustal 1D velocity, fault plane attitude, and rupture direction on the fault plane. As a result, the ASTFs derived from EGFs can be used to infer the ruptured fault plane and the rupture direction. Finally we used part of the catalogs to study important seismogenic structures in the area near Chiayi, Taiwan, where a damaging earthquake has occurred about a century ago. The preliminary results show a strike-slip earthquake on 22 October 1999 (Mw 5.6) has ruptured unilaterally toward SSW on a sub-vertical fault. The procedure developed from this study can be applied to other strong motion waveforms recorded from other earthquakes to better understand their kinematic source parameters.

Conformational Entropy of FK506 Binding to FKBP12 Determined by Nuclear Magnetic Resonance Relaxation and Molecular Dynamics Simulations.

PubMed

Solomentsev, Gleb; Diehl, Carl; Akke, Mikael

2018-03-06

FKBP12 (FK506 binding protein 12 kDa) is an important drug target. Nuclear magnetic resonance (NMR) order parameters, describing amplitudes of motion on the pico- to nanosecond time scale, can provide estimates of changes in conformational entropy upon ligand binding. Here we report backbone and methyl-axis order parameters of the apo and FK506-bound forms of FKBP12, based on 15 N and 2 H NMR relaxation. Binding of FK506 to FKBP12 results in localized changes in order parameters, notably for the backbone of residues E54 and I56 and the side chains of I56, I90, and I91, all positioned in the binding site. The order parameters increase slightly upon FK506 binding, indicating an unfavorable entropic contribution to binding of TΔ S = -18 ± 2 kJ/mol at 293 K. Molecular dynamics simulations indicate a change in conformational entropy, associated with all dihedral angles, of TΔ S = -26 ± 9 kJ/mol. Both these values are significant compared to the total entropy of binding determined by isothermal titration calorimetry and referenced to a reactant concentration of 1 mM ( TΔ S = -29 ± 1 kJ/mol). Our results reveal subtle differences in the response to ligand binding compared to that of the previously studied rapamycin-FKBP12 complex, despite the high degree of structural homology between the two complexes and their nearly identical ligand-FKBP12 interactions. These results highlight the delicate dependence of protein dynamics on drug interactions, which goes beyond the view provided by static structures, and reinforce the notion that protein conformational entropy can make important contributions to the free energy of ligand binding.

ZnO nanostructures directly grown on paper and bacterial cellulose substrates without any surface modification layer.

PubMed

Costa, Saionara V; Gonçalves, Agnaldo S; Zaguete, Maria A; Mazon, Talita; Nogueira, Ana F

2013-09-21

In this report, hierarchical ZnO nano- and microstructures were directly grown for the first time on a bacterial cellulose substrate and on two additional different papers by hydrothermal synthesis without any surface modification layer. Compactness and smoothness of the substrates are two important parameters that allow the growth of oriented structures.

Probabilistic parameter estimation of activated sludge processes using Markov Chain Monte Carlo.

PubMed

Sharifi, Soroosh; Murthy, Sudhir; Takács, Imre; Massoudieh, Arash

2014-03-01

One of the most important challenges in making activated sludge models (ASMs) applicable to design problems is identifying the values of its many stoichiometric and kinetic parameters. When wastewater characteristics data from full-scale biological treatment systems are used for parameter estimation, several sources of uncertainty, including uncertainty in measured data, external forcing (e.g. influent characteristics), and model structural errors influence the value of the estimated parameters. This paper presents a Bayesian hierarchical modeling framework for the probabilistic estimation of activated sludge process parameters. The method provides the joint probability density functions (JPDFs) of stoichiometric and kinetic parameters by updating prior information regarding the parameters obtained from expert knowledge and literature. The method also provides the posterior correlations between the parameters, as well as a measure of sensitivity of the different constituents with respect to the parameters. This information can be used to design experiments to provide higher information content regarding certain parameters. The method is illustrated using the ASM1 model to describe synthetically generated data from a hypothetical biological treatment system. The results indicate that data from full-scale systems can narrow down the ranges of some parameters substantially whereas the amount of information they provide regarding other parameters is small, due to either large correlations between some of the parameters or a lack of sensitivity with respect to the parameters. Copyright © 2013 Elsevier Ltd. All rights reserved.

Rotor Position Sensorless Control and Its Parameter Sensitivity of Permanent Magnet Motor Based on Model Reference Adaptive System

NASA Astrophysics Data System (ADS)

Ohara, Masaki; Noguchi, Toshihiko

This paper describes a new method for a rotor position sensorless control of a surface permanent magnet synchronous motor based on a model reference adaptive system (MRAS). This method features the MRAS in a current control loop to estimate a rotor speed and position by using only current sensors. This method as well as almost all the conventional methods incorporates a mathematical model of the motor, which consists of parameters such as winding resistances, inductances, and an induced voltage constant. Hence, the important thing is to investigate how the deviation of these parameters affects the estimated rotor position. First, this paper proposes a structure of the sensorless control applied in the current control loop. Next, it proves the stability of the proposed method when motor parameters deviate from the nominal values, and derives the relationship between the estimated position and the deviation of the parameters in a steady state. Finally, some experimental results are presented to show performance and effectiveness of the proposed method.

Classification of hepatocellular carcinoma stages from free-text clinical and radiology reports

PubMed Central

Yim, Wen-wai; Kwan, Sharon W; Johnson, Guy; Yetisgen, Meliha

2017-01-01

Cancer stage information is important for clinical research. However, they are not always explicitly noted in electronic medical records. In this paper, we present our work on automatic classification of hepatocellular carcinoma (HCC) stages from free-text clinical and radiology notes. To accomplish this, we defined 11 stage parameters used in the three HCC staging systems, American Joint Committee on Cancer (AJCC), Barcelona Clinic Liver Cancer (BCLC), and Cancer of the Liver Italian Program (CLIP). After aggregating stage parameters to the patient-level, the final stage classifications were achieved using an expert-created decision logic. Each stage parameter relevant for staging was extracted using several classification methods, e.g. sentence classification and automatic information structuring, to identify and normalize text as cancer stage parameter values. Stage parameter extraction for the test set performed at 0.81 F1. Cancer stage prediction for AJCC, BCLC, and CLIP stage classifications were 0.55, 0.50, and 0.43 F1.

Multiscale analysis of the correlation of processing parameters on viscidity of composites fabricated by automated fiber placement

NASA Astrophysics Data System (ADS)

Han, Zhenyu; Sun, Shouzheng; Fu, Yunzhong; Fu, Hongya

2017-10-01

Viscidity is an important physical indicator for assessing fluidity of resin that is beneficial to contact resin with the fibers effectively and reduce manufacturing defects during automated fiber placement (AFP) process. However, the effect of processing parameters on viscidity evolution is rarely studied during AFP process. In this paper, viscidities under different scales are analyzed based on multi-scale analysis method. Firstly, viscous dissipation energy (VDE) within meso-unit under different processing parameters is assessed by using finite element method (FEM). According to multi-scale energy transfer model, meso-unit energy is used as the boundary condition for microscopic analysis. Furthermore, molecular structure of micro-system is built by molecular dynamics (MD) method. And viscosity curves are then obtained by integrating stress autocorrelation function (SACF) with time. Finally, the correlation characteristics of processing parameters to viscosity are revealed by using gray relational analysis method (GRAM). A group of processing parameters is found out to achieve the stability of viscosity and better fluidity of resin.

Modeling of weak blast wave propagation in the lung.

PubMed

D'yachenko, A I; Manyuhina, O V

2006-01-01

Blast injuries of the lung are the most life-threatening after an explosion. The choice of physical parameters responsible for trauma is important to understand its mechanism. We developed a one-dimensional linear model of an elastic wave propagation in foam-like pulmonary parenchyma to identify the possible cause of edema due to the impact load. The model demonstrates different injury localizations for free and rigid boundary conditions. The following parameters were considered: strain, velocity, pressure in the medium and stresses in structural elements, energy dissipation, parameter of viscous criterion. Maximum underpressure is the most suitable wave parameter to be the criterion for edema formation in a rabbit lung. We supposed that observed scattering of experimental data on edema severity is induced by the physiological variety of rabbit lungs. The criterion and the model explain this scattering. The model outlines the demands for experimental data to make an unambiguous choice of physical parameters responsible for lung trauma due to impact load.

Characterizing uncertainty and variability in physiologically based pharmacokinetic models: state of the science and needs for research and implementation.

PubMed

Barton, Hugh A; Chiu, Weihsueh A; Setzer, R Woodrow; Andersen, Melvin E; Bailer, A John; Bois, Frédéric Y; Dewoskin, Robert S; Hays, Sean; Johanson, Gunnar; Jones, Nancy; Loizou, George; Macphail, Robert C; Portier, Christopher J; Spendiff, Martin; Tan, Yu-Mei

2007-10-01

Physiologically based pharmacokinetic (PBPK) models are used in mode-of-action based risk and safety assessments to estimate internal dosimetry in animals and humans. When used in risk assessment, these models can provide a basis for extrapolating between species, doses, and exposure routes or for justifying nondefault values for uncertainty factors. Characterization of uncertainty and variability is increasingly recognized as important for risk assessment; this represents a continuing challenge for both PBPK modelers and users. Current practices show significant progress in specifying deterministic biological models and nondeterministic (often statistical) models, estimating parameters using diverse data sets from multiple sources, using them to make predictions, and characterizing uncertainty and variability of model parameters and predictions. The International Workshop on Uncertainty and Variability in PBPK Models, held 31 Oct-2 Nov 2006, identified the state-of-the-science, needed changes in practice and implementation, and research priorities. For the short term, these include (1) multidisciplinary teams to integrate deterministic and nondeterministic/statistical models; (2) broader use of sensitivity analyses, including for structural and global (rather than local) parameter changes; and (3) enhanced transparency and reproducibility through improved documentation of model structure(s), parameter values, sensitivity and other analyses, and supporting, discrepant, or excluded data. Longer-term needs include (1) theoretical and practical methodological improvements for nondeterministic/statistical modeling; (2) better methods for evaluating alternative model structures; (3) peer-reviewed databases of parameters and covariates, and their distributions; (4) expanded coverage of PBPK models across chemicals with different properties; and (5) training and reference materials, such as cases studies, bibliographies/glossaries, model repositories, and enhanced software. The multidisciplinary dialogue initiated by this Workshop will foster the collaboration, research, data collection, and training necessary to make characterizing uncertainty and variability a standard practice in PBPK modeling and risk assessment.

Impact of observational incompleteness on the structural properties of protein interaction networks

NASA Astrophysics Data System (ADS)

Kuhnt, Mathias; Glauche, Ingmar; Greiner, Martin

2007-01-01

The observed structure of protein interaction networks is corrupted by many false positive/negative links. This observational incompleteness is abstracted as random link removal and a specific, experimentally motivated (spoke) link rearrangement. Their impact on the structural properties of gene-duplication-and-mutation network models is studied. For the degree distribution a curve collapse is found, showing no sensitive dependence on the link removal/rearrangement strengths and disallowing a quantitative extraction of model parameters. The spoke link rearrangement process moves other structural observables, like degree correlations, cluster coefficient and motif frequencies, closer to their counterparts extracted from the yeast data. This underlines the importance to take a precise modeling of the observational incompleteness into account when network structure models are to be quantitatively compared to data.

Identification of walking human model using agent-based modelling

NASA Astrophysics Data System (ADS)

Shahabpoor, Erfan; Pavic, Aleksandar; Racic, Vitomir

2018-03-01

The interaction of walking people with large vibrating structures, such as footbridges and floors, in the vertical direction is an important yet challenging phenomenon to describe mathematically. Several different models have been proposed in the literature to simulate interaction of stationary people with vibrating structures. However, the research on moving (walking) human models, explicitly identified for vibration serviceability assessment of civil structures, is still sparse. In this study, the results of a comprehensive set of FRF-based modal tests were used, in which, over a hundred test subjects walked in different group sizes and walking patterns on a test structure. An agent-based model was used to simulate discrete traffic-structure interactions. The occupied structure modal parameters found in tests were used to identify the parameters of the walking individual's single-degree-of-freedom (SDOF) mass-spring-damper model using 'reverse engineering' methodology. The analysis of the results suggested that the normal distribution with the average of μ = 2.85Hz and standard deviation of σ = 0.34Hz can describe human SDOF model natural frequency. Similarly, the normal distribution with μ = 0.295 and σ = 0.047 can describe the human model damping ratio. Compared to the previous studies, the agent-based modelling methodology proposed in this paper offers significant flexibility in simulating multi-pedestrian walking traffics, external forces and simulating different mechanisms of human-structure and human-environment interaction at the same time.

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.

Analytical investigations of seismic responses for reinforced concrete bridge columns subjected to strong near-fault ground motion

NASA Astrophysics Data System (ADS)

Su, Chin-Kuo; Sung, Yu-Chi; Chang, Shuenn-Yih; Huang, Chao-Hsun

2007-09-01

Strong near-fault ground motion, usually caused by the fault-rupture and characterized by a pulse-like velocity-wave form, often causes dramatic instantaneous seismic energy (Jadhav and Jangid 2006). Some reinforced concrete (RC) bridge columns, even those built according to ductile design principles, were damaged in the 1999 Chi-Chi earthquake. Thus, it is very important to evaluate the seismic response of a RC bridge column to improve its seismic design and prevent future damage. Nonlinear time history analysis using step-by-step integration is capable of tracing the dynamic response of a structure during the entire vibration period and is able to accommodate the pulsing wave form. However, the accuracy of the numerical results is very sensitive to the modeling of the nonlinear load-deformation relationship of the structural member. FEMA 273 and ATC-40 provide the modeling parameters for structural nonlinear analyses of RC beams and RC columns. They use three parameters to define the plastic rotation angles and a residual strength ratio to describe the nonlinear load-deformation relationship of an RC member. Structural nonlinear analyses are performed based on these parameters. This method provides a convenient way to obtain the nonlinear seismic responses of RC structures. However, the accuracy of the numerical solutions might be further improved. For this purpose, results from a previous study on modeling of the static pushover analyses for RC bridge columns (Sung et al. 2005) is adopted for the nonlinear time history analysis presented herein to evaluate the structural responses excited by a near-fault ground motion. To ensure the reliability of this approach, the numerical results were compared to experimental results. The results confirm that the proposed approach is valid.

Fast and non-destructive pore structure analysis using terahertz time-domain spectroscopy.

PubMed

Markl, Daniel; Bawuah, Prince; Ridgway, Cathy; van den Ban, Sander; Goodwin, Daniel J; Ketolainen, Jarkko; Gane, Patrick; Peiponen, Kai-Erik; Zeitler, J Axel

2018-02-15

Pharmaceutical tablets are typically manufactured by the uni-axial compaction of powder that is confined radially by a rigid die. The directional nature of the compaction process yields not only anisotropic mechanical properties (e.g. tensile strength) but also directional properties of the pore structure in the porous compact. This study derives a new quantitative parameter, S a , to describe the anisotropy in pore structure of pharmaceutical tablets based on terahertz time-domain spectroscopy measurements. The S a parameter analysis was applied to three different data sets including tablets with only one excipient (functionalised calcium carbonate), samples with one excipient (microcrystalline cellulose) and one drug (indomethacin), and a complex formulation (granulated product comprising several excipients and one drug). The overall porosity, tablet thickness, initial particle size distribution as well as the granule density were all found to affect the significant structural anisotropies that were observed in all investigated tablets. The S a parameter provides new insights into the microstructure of a tablet and its potential was particularly demonstrated for the analysis of formulations comprising several components. The results clearly indicate that material attributes, such as particle size and granule density, cause a change of the pore structure, which, therefore, directly impacts the liquid imbibition that is part of the disintegration process. We show, for the first time, how the granule density impacts the pore structure, which will also affect the performance of the tablet. It is thus of great importance to gain a better understanding of the relationship of the physical properties of material attributes (e.g. intragranular porosity, particle shape), the compaction process and the microstructure of the finished product. Copyright © 2017 Elsevier B.V. All rights reserved.

Parameter identification of civil engineering structures

NASA Technical Reports Server (NTRS)

Juang, J. N.; Sun, C. T.

1980-01-01

This paper concerns the development of an identification method required in determining structural parameter variations for systems subjected to an extended exposure to the environment. The concept of structural identifiability of a large scale structural system in the absence of damping is presented. Three criteria are established indicating that a large number of system parameters (the coefficient parameters of the differential equations) can be identified by a few actuators and sensors. An eight-bay-fifteen-story frame structure is used as example. A simple model is employed for analyzing the dynamic response of the frame structure.

The cultural implications of growth: Modeling nonlinear interaction of trait selection and population dynamics

NASA Astrophysics Data System (ADS)

Antoci, Angelo; Galeotti, Marcello; Russu, Paolo; Luigi Sacco, Pier

2018-05-01

In this paper, we study a nonlinear model of the interaction between trait selection and population dynamics, building on previous work of Ghirlanda et al. [Theor. Popul. Biol. 77, 181-188 (2010)] and Antoci et al. [Commun. Nonlinear Sci. Numer. Simul. 58, 92-106 (2018)]. We establish some basic properties of the model dynamics and present some simulations of the fine-grained structure of alternative dynamic regimes for chosen combinations of parameters. The role of the parameters that govern the reinforcement/corruption of maladaptive vs. adaptive traits is of special importance in determining the model's dynamic evolution. The main implication of this result is the need to pay special attention to the structural forces that may favor the emergence and consolidation of maladaptive traits in contemporary socio-economies, as it is the case, for example, for the stimulation of dysfunctional consumption habits and lifestyles in the pursuit of short-term profits.

Study of the electromagnetic characteristics of multiple HTSPPT modules based on the configuration of toroidal structure for inductive pulsed power supply

NASA Astrophysics Data System (ADS)

Zhang, Cunshan; Zheng, Xinxin; Li, Haitao; Li, Zhenmei; Zhang, Tao; Jiao, Can

2018-04-01

High temperature superconducting pulsed power transformer (HTSPPT) is an important device for pulsed power supplies. It consists of a superconducting primary and a normal conducting secondary, which is used for energy storage and current amplification. The critical current density, the energy storage, and the coupling coefficient are three main performance indexes. They are affected by the geometry parameters of HTSPPT modules, such as the height and the width of the superconducting coils. In addition, the hoop stress of the HTSPPT coils is limited by the maximum tensile strength of high temperature superconducting (HTS) tapes. In this paper, Bi-2223/Ag HTS tapes are selected as the wire of primary inductor and the toroidal structure model is selected for multiple HTSPPT modules. The relationships between the geometry parameters of HTSPPT modules and the electrical performance are studied.

The cultural implications of growth: Modeling nonlinear interaction of trait selection and population dynamics.

PubMed

Antoci, Angelo; Galeotti, Marcello; Russu, Paolo; Luigi Sacco, Pier

2018-05-01

In this paper, we study a nonlinear model of the interaction between trait selection and population dynamics, building on previous work of Ghirlanda et al. [Theor. Popul. Biol. 77, 181-188 (2010)] and Antoci et al. [Commun. Nonlinear Sci. Numer. Simul. 58, 92-106 (2018)]. We establish some basic properties of the model dynamics and present some simulations of the fine-grained structure of alternative dynamic regimes for chosen combinations of parameters. The role of the parameters that govern the reinforcement/corruption of maladaptive vs. adaptive traits is of special importance in determining the model's dynamic evolution. The main implication of this result is the need to pay special attention to the structural forces that may favor the emergence and consolidation of maladaptive traits in contemporary socio-economies, as it is the case, for example, for the stimulation of dysfunctional consumption habits and lifestyles in the pursuit of short-term profits.

Numerical Experimentation with Maximum Likelihood Identification in Static Distributed Systems

NASA Technical Reports Server (NTRS)

Scheid, R. E., Jr.; Rodriguez, G.

1985-01-01

Many important issues in the control of large space structures are intimately related to the fundamental problem of parameter identification. One might also ask how well this identification process can be carried out in the presence of noisy data since no sensor system is perfect. With these considerations in mind the algorithms herein are designed to treat both the case of uncertainties in the modeling and uncertainties in the data. The analytical aspects of maximum likelihood identification are considered in some detail in another paper. The questions relevant to the implementation of these schemes are dealt with, particularly as they apply to models of large space structures. The emphasis is on the influence of the infinite dimensional character of the problem on finite dimensional implementations of the algorithms. Those areas of current and future analysis are highlighted which indicate the interplay between error analysis and possible truncations of the state and parameter spaces.

Quantitative characterization of porosity in stainless steel LENS powders and deposits

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

Susan, D.F.; Puskar, J.D.; Brooks, J.A.

2006-07-15

Laser Engineered Net Shaping (LENS) utilizes a laser beam to melt fine powders to produce three-dimensional engineering structures line by line and layer by layer. When building these structures, defects including lack-of-fusion (LOF) at interlayer boundaries and intralayer porosity are sometimes observed. LOF defects can be minimized by adjusting processing parameters, but the sources of intralayer porosity are less apparent. In this paper, the amount and size distributions of 17-4PH and 304L powders and pores within the powder were characterized in parallel with the intralayer porosity in LENS deposits fabricated from the same materials. Intralayer porosity increased with increased powdermore » porosity; but was not well correlated with deposition parameters. The results demonstrate the importance of careful characterization and specification of starting powders on the quality of the final LENS deposits.« less

Estimating Model Prediction Error: Should You Treat Predictions as Fixed or Random?

NASA Technical Reports Server (NTRS)

Wallach, Daniel; Thorburn, Peter; Asseng, Senthold; Challinor, Andrew J.; Ewert, Frank; Jones, James W.; Rotter, Reimund; Ruane, Alexander

2016-01-01

Crop models are important tools for impact assessment of climate change, as well as for exploring management options under current climate. It is essential to evaluate the uncertainty associated with predictions of these models. We compare two criteria of prediction error; MSEP fixed, which evaluates mean squared error of prediction for a model with fixed structure, parameters and inputs, and MSEP uncertain( X), which evaluates mean squared error averaged over the distributions of model structure, inputs and parameters. Comparison of model outputs with data can be used to estimate the former. The latter has a squared bias term, which can be estimated using hindcasts, and a model variance term, which can be estimated from a simulation experiment. The separate contributions to MSEP uncertain (X) can be estimated using a random effects ANOVA. It is argued that MSEP uncertain (X) is the more informative uncertainty criterion, because it is specific to each prediction situation.

Protein structure similarity from Principle Component Correlation analysis.

PubMed

Zhou, Xiaobo; Chou, James; Wong, Stephen T C

2006-01-25

Owing to rapid expansion of protein structure databases in recent years, methods of structure comparison are becoming increasingly effective and important in revealing novel information on functional properties of proteins and their roles in the grand scheme of evolutionary biology. Currently, the structural similarity between two proteins is measured by the root-mean-square-deviation (RMSD) in their best-superimposed atomic coordinates. RMSD is the golden rule of measuring structural similarity when the structures are nearly identical; it, however, fails to detect the higher order topological similarities in proteins evolved into different shapes. We propose new algorithms for extracting geometrical invariants of proteins that can be effectively used to identify homologous protein structures or topologies in order to quantify both close and remote structural similarities. We measure structural similarity between proteins by correlating the principle components of their secondary structure interaction matrix. In our approach, the Principle Component Correlation (PCC) analysis, a symmetric interaction matrix for a protein structure is constructed with relationship parameters between secondary elements that can take the form of distance, orientation, or other relevant structural invariants. When using a distance-based construction in the presence or absence of encoded N to C terminal sense, there are strong correlations between the principle components of interaction matrices of structurally or topologically similar proteins. The PCC method is extensively tested for protein structures that belong to the same topological class but are significantly different by RMSD measure. The PCC analysis can also differentiate proteins having similar shapes but different topological arrangements. Additionally, we demonstrate that when using two independently defined interaction matrices, comparison of their maximum eigenvalues can be highly effective in clustering structurally or topologically similar proteins. We believe that the PCC analysis of interaction matrix is highly flexible in adopting various structural parameters for protein structure comparison.

Control technology development

NASA Astrophysics Data System (ADS)

Schaechter, D. B.

1982-03-01

The main objectives of the control technology development task are given in the slide below. The first is to develop control design techniques based on flexible structural models, rather than simple rigid-body models. Since large space structures are distributed parameter systems, a new degree of freedom, that of sensor/actuator placement, may be exercised for improving control system performance. Another characteristic of large space structures is numerous oscillatory modes within the control bandwidth. Reduced-order controller design models must be developed which produce stable closed-loop systems when combined with the full-order system. Since the date of an actual large-space-structure flight is rapidly approaching, it is vitally important that theoretical developments are tested in actual hardware. Experimental verification is a vital counterpart of all current theoretical developments.

Measurement invariance of the Illness Intrusiveness Ratings Scale's three-factor structure in men and women with cancer.

PubMed

Mah, Kenneth; Bezjak, Andrea; Loblaw, D Andrew; Gotowiec, Andrew; Devins, Gerald M

2011-02-01

Illness- and treatment-related disruptions to valued activities and interests (illness intrusiveness) are central to quality of life in chronic disease and are captured by three subscales of the Illness Intrusiveness Ratings Scale (IIRS): the Instrumental, Intimacy, and Relationships and Personal Development subscales. Using individual (CFA) and multisample confirmatory factor analyses (MSCFA), we evaluated measurement invariance of the IIRS's 3-factor structure in men and women with cancer. Men (n = 210) and women (n = 206) with 1 of 4 cancer diagnoses (gastrointestinal, head and neck, lymphoma, lung) recruited from outpatient clinics completed the IIRS. In the MSCFA, we applied an analysis of means and covariance structures approach to test increasingly stringent equality constraints on factor structure parameters to evaluate weak, strong, and strict measurement invariance of the 3-factor structure between men and women. Individual CFAs demonstrated fit of the hypothesized 3-factor structure for men and women, although more consistently for men. The 3-factor structure was superior to an alternative 1-factor structure. MSCFA results indicated that parameters of the 3-factor structure could be considered equivalent between the sexes up to the level of strong invariance. Strict invariance was not supported. Overall, IIRS scores can be interpreted similarly for men and women with cancer. Illness intrusiveness can be considered as important in the psychosocial adaptation of people with cancer as it is for people affected by other chronic conditions. (c) 2011 APA, all rights reserved

Intrinsic thermodynamics of inhibitor binding to human carbonic anhydrase IX.

PubMed

Linkuvienė, Vaida; Matulienė, Jurgita; Juozapaitienė, Vaida; Michailovienė, Vilma; Jachno, Jelena; Matulis, Daumantas

2016-04-01

Human carbonic anhydrase 9th isoform (CA IX) is an important marker of numerous cancers and is increasingly interesting as a potential anticancer drug target. Various synthetic aromatic sulfonamide-bearing compounds are being designed as potent inhibitors of CA IX. However, sulfonamide compound binding to CA IX is linked to several reactions, the deprotonation of the sulfonamide amino group and the protonation of the CA active site Zn(II)-bound hydroxide. These linked reactions significantly affect the affinities and other thermodynamic parameters such as enthalpies and entropies of binding. The observed and intrinsic affinities of compound binding to CA IX were determined by the fluorescent thermal shift assay. The enthalpies and entropies of binding were determined by the isothermal titration calorimetry. The pKa of CA IX was determined to be 6.8 and the enthalpy of CA IX-Zn(II)-bound hydroxide protonation was -24 kJ/mol. These values enabled the analysis of intrinsic thermodynamics of a library of compounds binding to CA IX. The most strongly binding compounds exhibited the intrinsic affinity of 0.01 nM and the observed affinity of 2 nM. The intrinsic thermodynamic parameters of compound binding to CA IX helped to draw the compound structure to thermodynamics relationship. It is important to distinguish the intrinsic from observed parameters of any disease target protein interaction with its inhibitors as drug candidates when drawing detailed compound structure to thermodynamics correlations. Copyright © 2016 Elsevier B.V. All rights reserved.

Fully automated segmentation of callus by micro-CT compared to biomechanics.

PubMed

Bissinger, Oliver; Götz, Carolin; Wolff, Klaus-Dietrich; Hapfelmeier, Alexander; Prodinger, Peter Michael; Tischer, Thomas

2017-07-11

A high percentage of closed femur fractures have slight comminution. Using micro-CT (μCT), multiple fragment segmentation is much more difficult than segmentation of unfractured or osteotomied bone. Manual or semi-automated segmentation has been performed to date. However, such segmentation is extremely laborious, time-consuming and error-prone. Our aim was to therefore apply a fully automated segmentation algorithm to determine μCT parameters and examine their association with biomechanics. The femura of 64 rats taken after randomised inhibitory or neutral medication, in terms of the effect on fracture healing, and controls were closed fractured after a Kirschner wire was inserted. After 21 days, μCT and biomechanical parameters were determined by a fully automated method and correlated (Pearson's correlation). The fully automated segmentation algorithm automatically detected bone and simultaneously separated cortical bone from callus without requiring ROI selection for each single bony structure. We found an association of structural callus parameters obtained by μCT to the biomechanical properties. However, results were only explicable by additionally considering the callus location. A large number of slightly comminuted fractures in combination with therapies that influence the callus qualitatively and/or quantitatively considerably affects the association between μCT and biomechanics. In the future, contrast-enhanced μCT imaging of the callus cartilage might provide more information to improve the non-destructive and non-invasive prediction of callus mechanical properties. As studies evaluating such important drugs increase, fully automated segmentation appears to be clinically important.

Neuropsychology, Autobiographical Memory, and Hippocampal Volume in “Younger” and “Older” Patients with Chronic Schizophrenia

PubMed Central

Herold, Christina Josefa; Lässer, Marc Montgomery; Schmid, Lena Anna; Seidl, Ulrich; Kong, Li; Fellhauer, Iven; Thomann, Philipp Arthur; Essig, Marco; Schröder, Johannes

2015-01-01

Despite a wide range of studies on neuropsychology in schizophrenia, autobiographical memory (AM) has been scarcely investigated in these patients. Hence, less is known about AM in older patients and hippocampal contribution to autobiographical memories of varying remoteness. Therefore, we investigated hippocampal volume and AM along with important neuropsychological domains in patients with chronic schizophrenia and the respective relationships between these parameters. We compared 25 older patients with chronic schizophrenia to 23 younger patients and an older healthy control group (N = 21) with respect to AM, additional neuropsychological parameters, and hippocampal volume. Personal episodic and semantic memory was investigated using a semi-structured interview. Additional neuropsychological parameters were assessed by using a battery of standard neuropsychological tests. Structural magnetic resonance imaging data were analyzed with an automated region-of-interest procedure. While hippocampal volume reduction and neuropsychological impairment were more pronounced in the older than in the younger patients, both groups showed equivalent reduced AM performance for recent personal episodes. In the patient group, significant correlations between left hippocampal volume and recent autobiographical episodes as well as personal semantic memories arose. Verbal memory and working memory were significantly correlated with right hippocampal volume; executive functions, however, were associated with bilateral hippocampal volumes. These findings underline the complexity of AM and its impairments in the course of schizophrenia in comparison to rather progressive neuropsychological deficits and address the importance of hippocampal contribution. PMID:25954208

Modeling, Modal Properties, and Mesh Stiffness Variation Instabilities of Planetary Gears

NASA Technical Reports Server (NTRS)

Parker, Robert G.; Lin, Jian; Krantz, Timothy L. (Technical Monitor)

2001-01-01

Planetary gear noise and vibration are primary concerns in their applications in helicopters, automobiles, aircraft engines, heavy machinery and marine vehicles. Dynamic analysis is essential to the noise and vibration reduction. This work analytically investigates some critical issues and advances the understanding of planetary gear dynamics. A lumped-parameter model is built for the dynamic analysis of general planetary gears. The unique properties of the natural frequency spectra and vibration modes are rigorously characterized. These special structures apply for general planetary gears with cyclic symmetry and, in practically important case, systems with diametrically opposed planets. The special vibration properties are useful for subsequent research. Taking advantage of the derived modal properties, the natural frequency and vibration mode sensitivities to design parameters are investigated. The key parameters include mesh stiffnesses, support/bearing stiffnesses, component masses, moments of inertia, and operating speed. The eigen-sensitivities are expressed in simple, closed-form formulae associated with modal strain and kinetic energies. As disorders (e.g., mesh stiffness variation. manufacturing and assembling errors) disturb the cyclic symmetry of planetary gears, their effects on the free vibration properties are quantitatively examined. Well-defined veering rules are derived to identify dramatic changes of natural frequencies and vibration modes under parameter variations. The knowledge of free vibration properties, eigen-sensitivities, and veering rules provide important information to effectively tune the natural frequencies and optimize structural design to minimize noise and vibration. Parametric instabilities excited by mesh stiffness variations are analytically studied for multi-mesh gear systems. The discrepancies of previous studies on parametric instability of two-stage gear chains are clarified using perturbation and numerical methods. The operating conditions causing parametric instabilities are expressed in closed-form suitable for design guidance. Using the well-defined modal properties of planetary gears, the effects of mesh parameters on parametric instability are analytically identified. Simple formulae are obtained to suppress particular instabilities by adjusting contact ratios and mesh phasing.

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.

An efficient interpolation technique for jump proposals in reversible-jump Markov chain Monte Carlo calculations

PubMed Central

Farr, W. M.; Mandel, I.; Stevens, D.

2015-01-01

Selection among alternative theoretical models given an observed dataset is an important challenge in many areas of physics and astronomy. Reversible-jump Markov chain Monte Carlo (RJMCMC) is an extremely powerful technique for performing Bayesian model selection, but it suffers from a fundamental difficulty and it requires jumps between model parameter spaces, but cannot efficiently explore both parameter spaces at once. Thus, a naive jump between parameter spaces is unlikely to be accepted in the Markov chain Monte Carlo (MCMC) algorithm and convergence is correspondingly slow. Here, we demonstrate an interpolation technique that uses samples from single-model MCMCs to propose intermodel jumps from an approximation to the single-model posterior of the target parameter space. The interpolation technique, based on a kD-tree data structure, is adaptive and efficient in modest dimensionality. We show that our technique leads to improved convergence over naive jumps in an RJMCMC, and compare it to other proposals in the literature to improve the convergence of RJMCMCs. We also demonstrate the use of the same interpolation technique as a way to construct efficient ‘global’ proposal distributions for single-model MCMCs without prior knowledge of the structure of the posterior distribution, and discuss improvements that permit the method to be used in higher dimensional spaces efficiently. PMID:26543580

Understanding the transmission dynamics of respiratory syncytial virus using multiple time series and nested models.

PubMed

White, L J; Mandl, J N; Gomes, M G M; Bodley-Tickell, A T; Cane, P A; Perez-Brena, P; Aguilar, J C; Siqueira, M M; Portes, S A; Straliotto, S M; Waris, M; Nokes, D J; Medley, G F

2007-09-01

The nature and role of re-infection and partial immunity are likely to be important determinants of the transmission dynamics of human respiratory syncytial virus (hRSV). We propose a single model structure that captures four possible host responses to infection and subsequent reinfection: partial susceptibility, altered infection duration, reduced infectiousness and temporary immunity (which might be partial). The magnitude of these responses is determined by four homotopy parameters, and by setting some of these parameters to extreme values we generate a set of eight nested, deterministic transmission models. In order to investigate hRSV transmission dynamics, we applied these models to incidence data from eight international locations. Seasonality is included as cyclic variation in transmission. Parameters associated with the natural history of the infection were assumed to be independent of geographic location, while others, such as those associated with seasonality, were assumed location specific. Models incorporating either of the two extreme assumptions for immunity (none or solid and lifelong) were unable to reproduce the observed dynamics. Model fits with either waning or partial immunity to disease or both were visually comparable. The best fitting structure was a lifelong partial immunity to both disease and infection. Observed patterns were reproduced by stochastic simulations using the parameter values estimated from the deterministic models.

Effect of Fasting on Corneal Biomechanical and Structural Parameters.

PubMed

Sarici, Ahmet M; Yuksel Elgin, Cansu; Dikkaya, Funda

2016-07-01

To evaluate the effects of hunger and thirst on corneal biomechanical and structural parameters during Ramadan fasting. Corneal biomechanical properties and intraocular pressures of 29 eyes of 29 healthy subjects were evaluated by Reichert ocular response analyzer; and structural and anatomical properties of cornea and anterior eye chamber of same eyes were scanned with Oculus Pentacam anterior segment analyzer. Each eye has been evaluated at 8 am and 4 pm both during and 1 month after Ramadan. Changes of subjects' weight were calculated and their relationship with corneal biomechanical and structural parameters was assessed. Intraday changes in horizontal corneal astigmatism (p = 0.02), anterior chamber volume (p = 0.01), intraocular pressure associated with the Goldmann IOPg (p = 0.02) and corneal resistance factor (CRF) (p = 0.04) were significantly different when measured during the fasting period in Ramadan and 1 month thereafter. Moreover, when we compared 8 am measurements taken during and after Ramadan, we observed significant differences for anterior chamber volume (p = 0.04) and anterior chamber angle values (p = 0.03). Similarly, for 4 pm measurements, there were significant differences for IOPg (p = 0.01) and CRF values (p = 0.00). Fasting lasting for more than 12 h during Ramadan creates an important window of opportunity to investigate the response of anterior chamber of eye to hunger and thirst. The current study contributes to the existing literature on the effects of dietary habits and water intake on corneal and anterior chamber properties.

Precomputing upscaled hydraulic conductivity for complex geological structures

NASA Astrophysics Data System (ADS)

Mariethoz, G.; Jha, S. K.; George, M.; Maheswarajah, S.; John, V.; De Re, D.; Smith, M.

2013-12-01

3D geological models are built to capture the geological heterogeneity at a fine scale. However groundwater modellers are often interested in the hydraulic conductivity (K) values at a much coarser scale to reduce the numerical burden. Upscaling is used to assign conductivity to large volumes, which necessarily causes a loss of information. Recent literature has shown that the connectivity in the channelized structures is an important feature that needs to be taken into account for accurate upscaling. In this work we study the effect of channel parameters, e.g. width, sinuosity, connectivity etc. on the upscaled values of the hydraulic conductivity and the associated uncertainty. We devise a methodology that derives correspondences between a lithological description and the equivalent hydraulic conductivity at a larger scale. The method uses multiple-point geostatistics simulations (MPS) and parameterizes the 3D structures by introducing continuous rotation and affinity parameters. Additional statistical characterization is obtained by transition probabilities and connectivity measures. Equivalent hydraulic conductivity is then estimated by solving a flow problem for the entire heterogeneous domain by applying steady state flow in horizontal and vertical directions. This is systematically performed for many random realisations of the small scale structures to enable a probability distribution for the equivalent upscaled hydraulic conductivity. This process allows deriving systematic relationships between a given depositional environment and precomputed equivalent parameters. A modeller can then exploit the prior knowledge of the depositional environment and expected geological heterogeneity to bypass the step of generating small-scale models, and directly work with upscaled values.

Etude du comportement sous charges laterales des ossatures de beton arme avec murs de remplissage de maconnerie, construites avant les annees 1960

NASA Astrophysics Data System (ADS)

Lefebvre, Karine

Reinforced concrete structures with unreinforced masonry infills (BMR) are considered vulnerable to earthquakes. Under seismic actions, infills could fail (causing injuries or death) and cause damages to columns. In Quebec and Canada, most of BMR structures have been constructed prior to the introduction of modern seismic design codes raising question on the contribution of the infill to the structure lateral resistance. The aim of this thesis is to improve modelling technique of BMR structures built in Quebec between 1915 and 1960. This type of structures is found in hospitals or schools buildings, which must comply with some post-earthquake functionality requirements. They could also be residential or office buildings. Actually, practicing engineers usually calculate seismic capacity of BMR structures without considering the infill's structural contribution to the lateral resistance. Yet, this contribution should not be omitted. The first part of the thesis investigates the construction techniques and material properties of the old BMR structures in the Province. The results are the material properties (concrete, reinforcing steel, brick, terra cotta tile, and mortar) and the characteristics of the assemblies (wall section, reinforcement details…). The second part of the thesis presents the results of series of parametric analyses to identify among modelling and geometric parameters, which ones are the most influent on the lateral load response (rigidity, fundamental period, normal modes). Linear and modal analyses were performed. The most influent parameters identified are: number of storeys, number of bays, bay's width, soft storey, openings, upper storeys modelized (instead of being replaced by punctual loads) and the modelization technique of infills panels (strut or shell). Nonlinear static analyses have been performed to identify the most influent parameters to be considered for evaluating the lateral resistance, the capacity (load / displacement) and the yielding sequence (beam versus columns versus infills). The identified parameters are the presence of the infills, the openings and the geometric characteristics of the models (number of storeys and number of bays). One important contribution of this work is the development of an equivalent strut model to represent the action of the infill. The model could be easily implemented in standard analysis software. A central axial hinge reproducing the nonlinear behaviour of the masonry is added to the strut element. This model is a hybridization of existing proposals (FEMA and others) with added innovations by the author. It has been validated with experimental and numerical analyses results from literature. An important conclusion of this thesis is that the contribution of infills to lateral load resisting capacities of BMR structures should be considered for structure of more than one storey. Infills can add up to 51 % to bare frame capacity. The National building code requires that the lateral resistance of existing buildings must be at least 60 % of the equivalent static seismic force (V2005). It is concluded that one storey BMR buildings have a sufficient resistance, while three-storeys structures exhibit plastic deformations for loads under 0,6* V2005.

A statistical analysis of RNA folding algorithms through thermodynamic parameter perturbation.

PubMed

Layton, D M; Bundschuh, R

2005-01-01

Computational RNA secondary structure prediction is rather well established. However, such prediction algorithms always depend on a large number of experimentally measured parameters. Here, we study how sensitive structure prediction algorithms are to changes in these parameters. We found already that for changes corresponding to the actual experimental error to which these parameters have been determined, 30% of the structure are falsely predicted whereas the ground state structure is preserved under parameter perturbation in only 5% of all the cases. We establish that base-pairing probabilities calculated in a thermal ensemble are viable although not a perfect measure for the reliability of the prediction of individual structure elements. Here, a new measure of stability using parameter perturbation is proposed, and its limitations are discussed.

Variation of the subsidence parameters, effective thermal conductivity, and mantle dynamics

NASA Astrophysics Data System (ADS)

Adam, C.; King, S. D.; Vidal, V.; Rabinowicz, M.; Jalobeanu, A.; Yoshida, M.

2015-09-01

The subsidence of young seafloor is generally considered to be a passive phenomenon related to the conductive cooling of the lithosphere after its creation at mid-oceanic ridges. Recent alternative theories suggest that the mantle dynamics plays an important role in the structure and depth of the oceanic lithosphere. However, the link between mantle dynamics and seafloor subsidence has still to be quantitatively assessed. Here we provide a statistical study of the subsidence parameters (subsidence rate and ridge depth) for all the oceans. These parameters are retrieved through two independent methods, the positive outliers method, a classical method used in signal processing, and through the MiFil method. From the subsidence rate, we compute the effective thermal conductivity, keff, which ranges between 1 and 7 W m-1 K-1. We also model the mantle flow pattern from the S40RTS tomography model. The density anomalies derived from S40RTS are used to compute the instantaneous flow in a global 3D spherical geometry. We show that departures from the keff = 3 Wm-1K-1 standard value are systematically related to mantle processes and not to lithospheric structure. Regions characterized by keff > 3 Wm-1K-1 are associated with mantle uplifts (mantle plumes or other local anomalies). Regions characterized by keff < 3 Wm-1K-1 are related to large-scale mantle downwellings such as the Australia-Antarctic Discordance (AAD) or the return flow from the South Pacific Superswell to the East Pacific Rise. This demonstrates that mantle dynamics plays a major role in the shaping of the oceanic seafloor. In particular, the parameters generally considered to quantify the lithosphere structure, such as the thermal conductivity, are not only representative of this structure but also incorporate signals from the mantle convection occurring beneath the lithosphere. The dynamic topography computed from the S40RTS tomography model reproduces the subsidence pattern observed in the bathymetry. Overall we find a good correlation between the subsidence parameters derived from the bathymetry and the dynamic topography. This demonstrates that these parameters are strongly dependent on mantle dynamics.

Ultra-large nonlinear parameter in graphene-silicon waveguide structures.

PubMed

Donnelly, Christine; Tan, Dawn T H

2014-09-22

Mono-layer graphene integrated with optical waveguides is studied for the purpose of maximizing E-field interaction with the graphene layer, for the generation of ultra-large nonlinear parameters. It is shown that the common approach used to minimize the waveguide effective modal area does not accurately predict the configuration with the maximum nonlinear parameter. Both photonic and plasmonic waveguide configurations and graphene integration techniques realizable with today's fabrication tools are studied. Importantly, nonlinear parameters exceeding 10(4) W(-1)/m, two orders of magnitude larger than that in silicon on insulator waveguides without graphene, are obtained for the quasi-TE mode in silicon waveguides incorporating mono-layer graphene in the evanescent part of the optical field. Dielectric loaded surface plasmon polariton waveguides incorporating mono-layer graphene are observed to generate nonlinear parameters as large as 10(5) W(-1)/m, three orders of magnitude larger than that in silicon on insulator waveguides without graphene. The ultra-large nonlinear parameters make such waveguides promising platforms for nonlinear integrated optics at ultra-low powers, and for previously unobserved nonlinear optical effects to be studied in a waveguide platform.

Parameter-space metric of semicoherent searches for continuous gravitational waves

NASA Astrophysics Data System (ADS)

Pletsch, Holger J.

2010-08-01

Continuous gravitational-wave (CW) signals such as emitted by spinning neutron stars are an important target class for current detectors. However, the enormous computational demand prohibits fully coherent broadband all-sky searches for prior unknown CW sources over wide ranges of parameter space and for yearlong observation times. More efficient hierarchical “semicoherent” search strategies divide the data into segments much shorter than one year, which are analyzed coherently; then detection statistics from different segments are combined incoherently. To optimally perform the incoherent combination, understanding of the underlying parameter-space structure is requisite. This problem is addressed here by using new coordinates on the parameter space, which yield the first analytical parameter-space metric for the incoherent combination step. This semicoherent metric applies to broadband all-sky surveys (also embedding directed searches at fixed sky position) for isolated CW sources. Furthermore, the additional metric resolution attained through the combination of segments is studied. From the search parameters (sky position, frequency, and frequency derivatives), solely the metric resolution in the frequency derivatives is found to significantly increase with the number of segments.

Influence of matching solubility parameter of polymer matrix and CNT on electrical conductivity of CNT/rubber composite

PubMed Central

Ata, Seisuke; Mizuno, Takaaki; Nishizawa, Ayumi; Subramaniam, Chandramouli; Futaba, Don N.; Hata, Kenji

2014-01-01

We report a general approach to fabricate elastomeric composites possessing high electrical conductivity for applications ranging from wireless charging interfaces to stretchable electronics. By using arbitrary nine kinds of rubbers as matrices, we experimentally demonstrate that the matching the solubility parameter of CNTs and the rubber matrix is important to achieve higher electrical conductivity in CNT/rubber composite, resulting in continuous conductive pathways leading to electrical conductivities as high as 15 S/cm with 10 vol% CNT in fluorinated rubber. Further, using thermodynamic considerations, we demonstrate an approach to mix CNTs to arbitrary rubber matrices regardless of solubility parameter of matrices by adding small amounts of fluorinated rubber as a polymeric-compatibilizer of CNTs. We thereby achieved electrical conductivities ranging from 1.2 to 13.8 S/cm (10 vol% CNTs) using nine varieties of rubber matrices differing in chemical structures and physical properties. Finally, we investigated the components of solubility parameter of CNT by using Hansen solubility parameters, these findings may useful for controlling solubility parameter of CNTs. PMID:25434701

A quantification model for the structure of clay materials.

PubMed

Tang, Liansheng; Sang, Haitao; Chen, Haokun; Sun, Yinlei; Zhang, Longjian

2016-07-04

In this paper, the quantification for clay structure is explicitly explained, and the approach and goals of quantification are also discussed. The authors consider that the purpose of the quantification for clay structure is to determine some parameters that can be used to quantitatively characterize the impact of clay structure on the macro-mechanical behaviour. According to the system theory and the law of energy conservation, a quantification model for the structure characteristics of clay materials is established and three quantitative parameters (i.e., deformation structure potential, strength structure potential and comprehensive structure potential) are proposed. And the corresponding tests are conducted. The experimental results show that these quantitative parameters can accurately reflect the influence of clay structure on the deformation behaviour, strength behaviour and the relative magnitude of structural influence on the above two quantitative parameters, respectively. These quantitative parameters have explicit mechanical meanings, and can be used to characterize the structural influences of clay on its mechanical behaviour.

Molecular design of anticancer drug leads based on three-dimensional quantitative structure-activity relationship.

PubMed

Huang, Xiao Yan; Shan, Zhi Jie; Zhai, Hong Lin; Li, Li Na; Zhang, Xiao Yun

2011-08-22

Heat shock protein 90 (Hsp90) takes part in the developments of several cancers. Novobiocin, a typically C-terminal inhibitor for Hsp90, will probably used as an important anticancer drug in the future. In this work, we explored the valuable information and designed new novobiocin derivatives based on a three-dimensional quantitative structure-activity relationship (3D QSAR). The comparative molecular field analysis and comparative molecular similarity indices analysis models with high predictive capability were established, and their reliabilities are supported by the statistical parameters. Based on the several important influence factors obtained from these models, six new novobiocin derivatives with higher inhibitory activities were designed and confirmed by the molecular simulation with our models, which provide the potential anticancer drug leads for further research.

Quasiparticle self-consistent GW study of cuprates: electronic structure, model parameters, and the two-band theory for Tc

PubMed Central

Jang, Seung Woo; Kotani, Takao; Kino, Hiori; Kuroki, Kazuhiko; Han, Myung Joon

2015-01-01

Despite decades of progress, an understanding of unconventional superconductivity still remains elusive. An important open question is about the material dependence of the superconducting properties. Using the quasiparticle self-consistent GW method, we re-examine the electronic structure of copper oxide high-Tc materials. We show that QSGW captures several important features, distinctive from the conventional LDA results. The energy level splitting between and is significantly enlarged and the van Hove singularity point is lowered. The calculated results compare better than LDA with recent experimental results from resonant inelastic xray scattering and angle resolved photoemission experiments. This agreement with the experiments supports the previously suggested two-band theory for the material dependence of the superconducting transition temperature, Tc. PMID:26206417

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

Predicting activation energy of thermolysis of polynitro arenes through molecular structure.

PubMed

Keshavarz, Mohammad Hossein; Pouretedal, Hamid Reza; Shokrolahi, Arash; Zali, Abbas; Semnani, Abolfazl

2008-12-15

The paper presents a new method for activation energy or the Arrhenius parameter E(a) of the thermolysis in the condensed state for different polynitro arenes as an important class of energetic molecules. The methodology assumes that E(a) of a polynitro arene with general formula C(a)H(b)N(c)O(d) can be expressed as a function of optimized elemental composition as well as the contribution of specific molecular structural parameters. The new method can predict E(a) of the thermolysis under conditions of Soviet Manometric Method (SMM), which can be related to the other convenient methods. The new correlation has the root mean square (rms) and the average deviations of 13.79 and 11.94kJ/mol, respectively, for 20 polynitro arenes with different molecular structures. The proposed new method can also be used to predict E(a) of three polynitro arenes, i.e. 2,2',2'',4,4',4'',6,6',6''-nonanitro-1,1':3',1''-terphenyl (NONA), 3,3'-diamino-2,2',4,4',6,6'-hexanitro-1,1'-biphenyl-3,3'-diamine (DIPAM) and N,N-bis(2,4-dinitrophenyl)-2,4,6-trinitroaniline (NTFA), which have complex molecular structures.

Ultra-small Ag clusters in zeolite A4: Antibacterial and thermochromic applications

NASA Astrophysics Data System (ADS)

Horta-Fraijo, P.; Cortez-Valadez, M.; Flores-Lopez, N. S.; Britto Hurtado, R.; Vargas-Ortiz, R. A.; Perez-Rodriguez, A.; Flores-Acosta, M.

2018-03-01

The physical and chemical properties of metal clusters depend on their atomic structure, therefore, it is important to determine the lowest-energy structures of the clusters in order to understand and utilize their properties. In this work, we use the Density Functional Theory (DFT) at the generalized gradient approximation level Becke's three-parameter and the gradient corrected functional of Lee, Yang and Puar (B3LYP) in combination with the basis set LANL2DZ (the effective core potentials and associated double-zeta valence) to determine some of the structural, electronic and vibrational properties of the planar silver clusters (Agn clusters n = 2-24). Additionally, the study reports the experimental synthesis of small silver clusters in synthetic zeolite A4. The synthesis was possible using the ion exchange method with some precursors like silver nitrate (AgNO3) and synthetic zeolite A4. The silver clusters in zeolite powder underwent thermal treatment at 450 °C to release the remaining water or humidity on it. The morphology of the particles was determined by Transmission Electron microscopy. The nanomaterials obtained show thermochromic properties. The structural parameters were correlated theoretically and experimentally.

Performance improvement of long-range surface plasmon structure for use in an all-optical switch

NASA Astrophysics Data System (ADS)

Jandaghian, Ali; Lotfalian, Ali; Kouhkan, Mohsen; Mohajerani, Ezeddin

2017-12-01

This paper presents important parameters in performance of long-range surface plasmon (LRSP) structure (SF4/PVA/silver/PMMA-DR1) that are improved. We select poly(vinyl alcohol) (PVA) as the first dielectric layer due to its water solubility and good optical properties. The thickness of PVA and silver layers is optimized by transfer matrix method based on Fresnel equations. Surface morphologies of PVA and silver surfaces are analyzed by AFM imaging due to their important role in the performance of an LRSP structure. Furthermore, the sensitivity of an all-optical switch based on plasmon is investigated. In order to compare the sensitivity of LRSP and conventional surface plasmon (SP) structures in switching mode, full wide of half maximum, resonance angles, and pump powers of both structures are measured by a custom-made optical setup based on angular interrogation with a precision of 0.01 deg. Finally, we conclude that for creating equal signal levels in both samples, the required pump power for LRSP structure was about three times less than that for conventional SP; thus, these results led to power savings in optical switches.

Modeling local structure using crystal field and spin Hamiltonian parameters: the tetragonal FeK3+-OI2- defect center in KTaO3 crystal

NASA Astrophysics Data System (ADS)

Gnutek, P.; Y Yang, Z.; Rudowicz, C.

2009-11-01

The local structure and the spin Hamiltonian (SH) parameters, including the zero-field-splitting (ZFS) parameters D and (a+2F/3), and the Zeeman g factors g_{\\parallel } and g_{\\perp } , are theoretically investigated for the FeK3+-OI2- center in KTaO3 crystal. The microscopic SH (MSH) parameters are modeled within the framework of the crystal field (CF) theory employing the CF analysis (CFA) package, which also incorporates the MSH modules. Our approach takes into account the spin-orbit interaction as well as the spin-spin and spin-other-orbit interactions omitted in previous studies. The superposition model (SPM) calculations are carried out to provide input CF parameters for the CFA/MSH package. The combined SPM-CFA/MSH approach is used to consider various structural models for the FeK3+-OI2- defect center in KTaO3. This modeling reveals that the off-center displacement of the Fe3+ ions, Δ1(Fe3+), combined with an inward relaxation of the nearest oxygen ligands, Δ2(O2-), and the existence of the interstitial oxygen OI2- give rise to a strong tetragonal crystal field. This finding may explain the large ZFS experimentally observed for the FeK3+-OI2- center in KTaO3. Matching the theoretical MSH predictions with the available structural data as well as electron magnetic resonance (EMR) and optical spectroscopy data enables predicting reasonable ranges of values of Δ1(Fe3+) and Δ2(O2-) as well as the possible location of OI2- ligands around Fe3+ ions in KTaO3. The defect structure model obtained using the SPM-CFA/MSH approach reproduces very well the ranges of the experimental SH parameters D, g_{\\parallel } and g_{\\perp } and importantly yields not only the correct magnitude of D but also the sign, unlike previous studies. More reliable predictions may be achieved when experimental data on (a+2F/3) and/or crystal field energy levels become available. Comparison of our results with those arising from alternative models existing in the literature indicates considerable advantages of our method and presumably higher reliability of our predictions.

Evaluation of Sentinel-1A Data For Above Ground Biomass Estimation in Different Forests in India

NASA Technical Reports Server (NTRS)

Vadrevu, Krishna Prasad

2017-01-01

Use of remote sensing data for mapping and monitoring of forest biomass across large spatial scales can aid in addressing uncertainties in carbon cycle. Earlier, several researchers reported on the use of Synthetic Aperture Radar (SAR) data for characterizing forest structural parameters and the above ground biomass estimation. However, these studies cannot be generalized and the algorithms cannot be applied to all types of forests without additional information on the forest physiognomy, stand structure and biomass characteristics. The radar backscatter signal also saturates as forest parameters such as biomass and the tree height increase. It is also not clear how different polarizations (VV versus VH) impact the backscatter retrievals in different forested regions. Thus, it is important to evaluate the potential of SAR data in different landscapes for characterizing forest structural parameters. In this study, the SAR data from Sentinel-1A has been used to characterize forest structural parameters including the above ground biomass from tropical forests of India. Ground based data on tree density, basal area and above ground biomass data from thirty-eight different forested sites has been collected to relate to SAR data. After the pre-processing of Sentinel 1-A data for radiometric calibration, geo-correction, terrain correction and speckle filtering, the variability in the backscatter signal in relation tree density, basal area and above biomass density has been investigated. Results from the curve fitting approach suggested exponential model between the Sentinel-1A backscatter versus tree density and above ground biomass whereas the relationship was almost linear with the basal area in the VV polarization mode. Of the different parameters, tree density could explain most of the variations in backscatter. Both VV and VH backscatter signals could explain only thirty and thirty three percent of variation in above biomass in different forest sites of India. Results also suggested saturation of the Sentinel-1A backscatter signal around hundred tonnes per hectare for VV polarization and one hundred and forty five tonnes per hectare for VH polarization. The presentation will highlight the above results in addition to potentials and limitations of Sentinel-1A data for retrieving forest structural parameters. Also, background information on different forest types of India, biomass variations and forest type mapping efforts in the region will be presented.

The design of low cost structures for extensive ground arrays

NASA Technical Reports Server (NTRS)

Franklin, H. A.; Leonard, R. S.

1980-01-01

The development of conceptual designs of solar array support structures and their foundations including considerations of the use of concrete, steel, aluminum, or timber are reported. Some cost trends were examined by varying selected parameters to determine optimum configurations. Detailed civil/structural design criteria were developed. Using these criteria, eight detailed designs for support structures and foundations were developed and cost estimates were made. As a result of the study wind was identified as the major loading experienced by these low height structures, whose arrays are likely to extend over large tracts of land. Proper wind load estimating is considered essential to developing realistic structural designs and achieving minimum cost support structures. Wind tunnel testing of a conceptual array field was undertaken and some of the resulting wind design criteria are presented. The SPS rectenna system designs may be less sensitive to wind load estimates, but consistent design criteria remain important.

MO-D-213-06: Quantitative Image Quality Metrics Are for Physicists, Not Radiologists: How to Communicate to Your Radiologists Using Their Language

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

Szczykutowicz, T; Rubert, N; Ranallo, F

Purpose: A framework for explaining differences in image quality to non-technical audiences in medial imaging is needed. Currently, this task is something that is learned “on the job.” The lack of a formal methodology for communicating optimal acquisition parameters into the clinic effectively mitigates many technological advances. As a community, medical physicists need to be held responsible for not only advancing image science, but also for ensuring its proper use in the clinic. This work outlines a framework that bridges the gap between the results from quantitative image quality metrics like detectability, MTF, and NPS and their effect on specificmore » anatomical structures present in diagnostic imaging tasks. Methods: Specific structures of clinical importance were identified for a body, an extremity, a chest, and a temporal bone protocol. Using these structures, quantitative metrics were used to identify the parameter space that should yield optimal image quality constrained within the confines of clinical logistics and dose considerations. The reading room workflow for presenting the proposed changes for imaging each of these structures is presented. The workflow consists of displaying images for physician review consisting of different combinations of acquisition parameters guided by quantitative metrics. Examples of using detectability index, MTF, NPS, noise and noise non-uniformity are provided. During review, the physician was forced to judge the image quality solely on those features they need for diagnosis, not on the overall “look” of the image. Results: We found that in many cases, use of this framework settled mis-agreements between physicians. Once forced to judge images on the ability to detect specific structures inter reader agreement was obtained. Conclusion: This framework will provide consulting, research/industrial, or in-house physicists with clinically relevant imaging tasks to guide reading room image review. This framework avoids use of the overall “look” or “feel” to dictate acquisition parameter selection. Equipment grants GE Healthcare.« less

Aeroelastic Model Structure Computation for Envelope Expansion

NASA Technical Reports Server (NTRS)

Kukreja, Sunil L.

2007-01-01

Structure detection is a procedure for selecting a subset of candidate terms, from a full model description, that best describes the observed output. This is a necessary procedure to compute an efficient system description which may afford greater insight into the functionality of the system or a simpler controller design. Structure computation as a tool for black-box modelling may be of critical importance in the development of robust, parsimonious models for the flight-test community. Moreover, this approach may lead to efficient strategies for rapid envelope expansion which may save significant development time and costs. In this study, a least absolute shrinkage and selection operator (LASSO) technique is investigated for computing efficient model descriptions of nonlinear aeroelastic systems. The LASSO minimises the residual sum of squares by the addition of an l(sub 1) penalty term on the parameter vector of the traditional 2 minimisation problem. Its use for structure detection is a natural extension of this constrained minimisation approach to pseudolinear regression problems which produces some model parameters that are exactly zero and, therefore, yields a parsimonious system description. Applicability of this technique for model structure computation for the F/A-18 Active Aeroelastic Wing using flight test data is shown for several flight conditions (Mach numbers) by identifying a parsimonious system description with a high percent fit for cross-validated data.

[Quantitative relationship between gas chromatographic retention time and structural parameters of alkylphenols].

PubMed

Ruan, Xiaofang; Zhang, Ruisheng; Yao, Xiaojun; Liu, Mancang; Fan, Botao

2007-03-01

Alkylphenols are a group of permanent pollutants in the environment and could adversely disturb the human endocrine system. It is therefore important to effectively separate and measure the alkylphenols. To guide the chromatographic analysis of these compounds in practice, the development of quantitative relationship between the molecular structure and the retention time of alkylphenols becomes necessary. In this study, topological, constitutional, geometrical, electrostatic and quantum-chemical descriptors of 44 alkylphenols were calculated using a software, CODESSA, and these descriptors were pre-selected using the heuristic method. As a result, three-descriptor linear model (LM) was developed to describe the relationship between the molecular structure and the retention time of alkylphenols. Meanwhile, the non-linear regression model was also developed based on support vector machine (SVM) using the same three descriptors. The correlation coefficient (R(2)) for the LM and SVM was 0.98 and 0. 92, and the corresponding root-mean-square error was 0. 99 and 2. 77, respectively. By comparing the stability and prediction ability of the two models, it was found that the linear model was a better method for describing the quantitative relationship between the retention time of alkylphenols and the molecular structure. The results obtained suggested that the linear model could be applied for the chromatographic analysis of alkylphenols with known molecular structural parameters.

Effect of heater geometry and cavity volume on the sensitivity of a thermal convection-based tilt sensor

NASA Astrophysics Data System (ADS)

Han, Maeum; Keon Kim, Jae; Kong, Seong Ho; Kang, Shin-Won; Jung, Daewoong

2018-06-01

This paper reports a micro-electro-mechanical-system (MEMS)-based tilt sensor using air medium. Since the working mechanism of the sensor is the thermal convection in a sealed chamber, structural parameters that can affect thermal convection must be considered to optimize the performance of the sensor. This paper presents the experimental results that were conducted by optimizing several parameters such as the heater geometry, input power and cavity volume. We observed that an increase in the heating power and cavity volume can improve the sensitivity, and heater geometry plays important role in performance of the sensor.

Automated System Of Monitoring Of The Physical Condition Of The Staff Of The Enterprise

NASA Astrophysics Data System (ADS)

Pilipenko, A.

2017-01-01

In the work the author solves an important applied problem of increasing of safety of engineering procedures and production using technologies of monitoring of a condition of employees. The author offers a work algorithm, structural and basic electric schemes of system of collection of data of employee’s condition of the enterprise and some parameters of the surrounding environment. In the article the author offers an approach to increasing of efficiency of acceptance of management decisions at the enterprise at the expense of the prompt analysis of information about employee’s condition and productivity of his work and also about various parameters influencing these factors.

A Knowledge Database on Thermal Control in Manufacturing Processes

NASA Astrophysics Data System (ADS)

Hirasawa, Shigeki; Satoh, Isao

A prototype version of a knowledge database on thermal control in manufacturing processes, specifically, molding, semiconductor manufacturing, and micro-scale manufacturing has been developed. The knowledge database has search functions for technical data, evaluated benchmark data, academic papers, and patents. The database also displays trends and future roadmaps for research topics. It has quick-calculation functions for basic design. This paper summarizes present research topics and future research on thermal control in manufacturing engineering to collate the information to the knowledge database. In the molding process, the initial mold and melt temperatures are very important parameters. In addition, thermal control is related to many semiconductor processes, and the main parameter is temperature variation in wafers. Accurate in-situ temperature measurment of wafers is important. And many technologies are being developed to manufacture micro-structures. Accordingly, the knowledge database will help further advance these technologies.

Global assessment of predictability of water availability: A bivariate probabilistic Budyko analysis

NASA Astrophysics Data System (ADS)

Wang, Weiguang; Fu, Jianyu

2018-02-01

Estimating continental water availability is of great importance for water resources management, in terms of maintaining ecosystem integrity and sustaining society development. To more accurately quantify the predictability of water availability, on the basis of univariate probabilistic Budyko framework, a bivariate probabilistic Budyko approach was developed using copula-based joint distribution model for considering the dependence between parameter ω of Wang-Tang's equation and the Normalized Difference Vegetation Index (NDVI), and was applied globally. The results indicate the predictive performance in global water availability is conditional on the climatic condition. In comparison with simple univariate distribution, the bivariate one produces the lower interquartile range under the same global dataset, especially in the regions with higher NDVI values, highlighting the importance of developing the joint distribution by taking into account the dependence structure of parameter ω and NDVI, which can provide more accurate probabilistic evaluation of water availability.

Advances in parameter estimation techniques applied to flexible structures

NASA Technical Reports Server (NTRS)

Maben, Egbert; Zimmerman, David C.

1994-01-01

In this work, various parameter estimation techniques are investigated in the context of structural system identification utilizing distributed parameter models and 'measured' time-domain data. Distributed parameter models are formulated using the PDEMOD software developed by Taylor. Enhancements made to PDEMOD for this work include the following: (1) a Wittrick-Williams based root solving algorithm; (2) a time simulation capability; and (3) various parameter estimation algorithms. The parameter estimations schemes will be contrasted using the NASA Mini-Mast as the focus structure.

An experimental test of the contributions and condition dependence of microstructure and carotenoids in yellow plumage coloration

PubMed Central

Shawkey, Matthew D; Hill, Geoffrey E; McGraw, Kevin J; Hood, Wendy R; Huggins, Kristal

2006-01-01

A combination of structural and pigmentary components is responsible for many of the colour displays of animals. Despite the ubiquity of this type of coloration, neither the relative contribution of structures and pigments to variation in such colour displays nor the relative effects of extrinsic factors on the structural and pigment-based components of such colour has been determined. Understanding the sources of colour variation is important because structures and pigments may convey different information to conspecifics. In an experiment on captive American goldfinches Carduelis tristis, we manipulated two parameters, carotenoid availability and food availability, known to affect the expression of carotenoid pigments in a full-factorial design. Yellow feathers from these birds were then analysed in two ways. First, we used full-spectrum spectrometry and high-performance liquid chromatography to examine the extent to which variation in white structural colour and total carotenoid content was associated with variation in colour properties of feathers. The carotenoid content of yellow feathers predicted two colour parameters (principal component 1—representing high values of ultraviolet and yellow chroma and low values of violet–blue chroma—and hue). Two different colour parameters (violet–blue and yellow chroma) from white de-pigmented feathers, as well as carotenoid content, predicted reflectance measurements from yellow feathers. Second, we determined the relative effects of our experimental manipulations on white structural colour and yellow colour. Carotenoid availability directly affected yellow colour, while food availability affected it only in combination with carotenoid availability. None of our manipulations had significant effects on the expression of white structural colour. Our results suggest that the contribution of microstructures to variation in the expression of yellow coloration is less than the contribution of carotenoid content, and that carotenoid deposition is more dependent on extrinsic variability than is the production of white structural colour. PMID:17015356

An experimental test of the contributions and condition dependence of microstructure and carotenoids in yellow plumage coloration.

PubMed

Shawkey, Matthew D; Hill, Geoffrey E; McGraw, Kevin J; Hood, Wendy R; Huggins, Kristal

2006-12-07

A combination of structural and pigmentary components is responsible for many of the colour displays of animals. Despite the ubiquity of this type of coloration, neither the relative contribution of structures and pigments to variation in such colour displays nor the relative effects of extrinsic factors on the structural and pigment-based components of such colour has been determined. Understanding the sources of colour variation is important because structures and pigments may convey different information to conspecifics. In an experiment on captive American goldfinches Carduelis tristis, we manipulated two parameters, carotenoid availability and food availability, known to affect the expression of carotenoid pigments in a full-factorial design. Yellow feathers from these birds were then analysed in two ways. First, we used full-spectrum spectrometry and high-performance liquid chromatography to examine the extent to which variation in white structural colour and total carotenoid content was associated with variation in colour properties of feathers. The carotenoid content of yellow feathers predicted two colour parameters (principal component 1--representing high values of ultraviolet and yellow chroma and low values of violet-blue chroma-and hue). Two different colour parameters (violet-blue and yellow chroma) from white de-pigmented feathers, as well as carotenoid content, predicted reflectance measurements from yellow feathers. Second, we determined the relative effects of our experimental manipulations on white structural colour and yellow colour. Carotenoid availability directly affected yellow colour, while food availability affected it only in combination with carotenoid availability. None of our manipulations had significant effects on the expression of white structural colour. Our results suggest that the contribution of microstructures to variation in the expression of yellow coloration is less than the contribution of carotenoid content, and that carotenoid deposition is more dependent on extrinsic variability than is the production of white structural colour.

Continuous and embedded solutions for SHM of concrete structures using changing electrical potential in self-sensing cement-based composites

NASA Astrophysics Data System (ADS)

Downey, Austin; Garcia-Macias, Enrique; D'Alessandro, Antonella; Laflamme, Simon; Castro-Triguero, Rafael; Ubertini, Filippo

2017-04-01

Interest in the concept of self-sensing structural materials has grown in recent years due to its potential to enable continuous low-cost monitoring of next-generation smart-structures. The development of cement-based smart sensors appears particularly well suited for monitoring applications due to their numerous possible field applications, their ease of use and long-term stability. Additionally, cement-based sensors offer a unique opportunity for structural health monitoring of civil structures because of their compatibility with new or existing infrastructure. Particularly, the addition of conductive carbon nanofillers into a cementitious matrix provides a self-sensing structural material with piezoresistive characteristics sensitive to deformations. The strain-sensing ability is achieved by correlating the external loads with the variation of specific electrical parameters, such as the electrical resistance or impedance. Selection of the correct electrical parameter for measurement to correlate with features of interest is required for the condition assessment task. In this paper, we investigate the potential of using altering electrical potential in cement-based materials doped with carbon nanotubes to measure strain and detect damage in concrete structures. Experimental validation is conducted on small-scale specimens including a steel-reinforced beam of conductive cement paste. Comparisons are made with constant electrical potential and current methods commonly found in the literature. Experimental results demonstrate the ability of the changing electrical potential at detecting features important for assessing the condition of a structure.

Fluid-structure interaction analysis of the flow through a stenotic aortic valve

NASA Astrophysics Data System (ADS)

Maleki, Hoda; Labrosse, Michel R.; Durand, Louis-Gilles; Kadem, Lyes

2009-11-01

In Europe and North America, aortic stenosis (AS) is the most frequent valvular heart disease and cardiovascular disease after systemic hypertension and coronary artery disease. Understanding blood flow through an aortic stenosis and developing new accurate non-invasive diagnostic parameters is, therefore, of primarily importance. However, simulating such flows is highly challenging. In this study, we considered the interaction between blood flow and the valve leaflets and compared the results obtained in healthy valves with stenotic ones. One effective method to model the interaction between the fluid and the structure is to use Arbitrary Lagrangian-Eulerian (ALE) approach. Our two-dimensional model includes appropriate nonlinear and anisotropic materials. It is loaded during the systolic phase by applying pressure curves to the fluid domain at the inflow. For modeling the calcified stenotic valve, calcium will be added on the aortic side of valve leaflets. Such simulations allow us to determine the effective orifice area of the valve, one of the main parameters used clinically to evaluate the severity of an AS, and to correlate it with changes in the structure of the leaflets.

Underexpanded Screeching Jets From Circular, Rectangular, and Elliptic Nozzles

NASA Technical Reports Server (NTRS)

Panda, J.; Raman, G.; Zaman, K. B. M. Q.

2004-01-01

The screech frequency and amplitude, the shock spacing, the hydrodynamic-acoustic standing wave spacing, and the convective velocity of large organized structures are measured in the nominal Mach number range of 1.1 less than or = Mj less that or = l0.9 for supersonic, underexpanded jets exhausting from a circular, a rectangular and an elliptic nozzle. This provides a carefully measured data set useful in comparing the importance of various physical parameters in the screech generation process. The hydrodynamic-acoustic standing wave is formed between the potential pressure field of large turbulent structures and the acoustic pressure field of the screech sound. It has been demonstrated earlier that in the currently available screech frequency prediction models replacement of the shock spacing by the standing wave spacing provides an exact expression. In view of this newly found evidence, a comparison is made between the average standing wavelength and the average shock spacing. It is found that there exists a small, yet important, difference, which is dependent on the azimuthal screech mode. For example, in the flapping modes of circular, rectangular, and elliptic jets, the standing wavelength is slightly longer than the shock spacing, while for the helical screech mode in a circular jet the opposite is true. This difference accounts for the departure of the existing models from predicting the exact screech frequency. Another important parameter, necessary in screech prediction, is the convective velocity of the large organized structures. It is demonstrated that the presence of the hydrodynamic-acoustic standing wave, even inside the jet shear layer, becomes a significant source of error in the convective velocity data obtained using the conventional methods. However, a new relationship, using the standing wavelength and screech frequency is shown to provide more accurate results.

Detecting and evaluating communities in complex human and biological networks

NASA Astrophysics Data System (ADS)

Morrison, Greg; Mahadevan, L.

2012-02-01

We develop a simple method for detecting the community structure in a network can by utilizing a measure of closeness between nodes. This approach readily leads to a method of coarse graining the network, which allows the detection of the natural hierarchy (or hierarchies) of community structure without appealing to an unknown resolution parameter. The closeness measure can also be used to evaluate the robustness of an individual node's assignment to its community (rather than evaluating only the quality of the global structure). Each of these methods in community detection and evaluation are illustrated using a variety of real world networks of either biological or sociological importance and illustrate the power and flexibility of the approach.

Mechanisms of high-regularity periodic structuring of silicon surface by sub-MHz repetition rate ultrashort laser pulses

NASA Astrophysics Data System (ADS)

Gnilitskyi, Iaroslav; Gruzdev, Vitaly; Bulgakova, Nadezhda M.; Mocek, Tomáš; Orazi, Leonardo

2016-10-01

Silicon is one of the most abundant materials which is used in many areas of modern research and technology. A variety of those applications require surface nanopatterning with minimum structure defects. However, the high-quality nanostructuring of large areas of silicon surface at industrially acceptable speed is still a challenge. Here, we report a rapid formation of highly regular laser-induced periodic surface structures (HR-LIPSS) in the regime of strong ablation by infrared femtosecond laser pulses at sub-MHz repetition rate. Parameters of the laser-surface interactions and obtained experimental results suggest an important role of electrostatically assisted bond softening in initiating the HR-LIPSS formation.

Mass media influence spreading in social networks with community structure

NASA Astrophysics Data System (ADS)

Candia, Julián; Mazzitello, Karina I.

2008-07-01

We study an extension of Axelrod's model for social influence, in which cultural drift is represented as random perturbations, while mass media are introduced by means of an external field. In this scenario, we investigate how the modular structure of social networks affects the propagation of mass media messages across a society. The community structure of social networks is represented by coupled random networks, in which two random graphs are connected by intercommunity links. Considering inhomogeneous mass media fields, we study the conditions for successful message spreading and find a novel phase diagram in the multidimensional parameter space. These findings show that social modularity effects are of paramount importance for designing successful, cost-effective advertising campaigns.

Underwound DNA under Tension: Structure, Elasticity, and Sequence-Dependent Behaviors

NASA Astrophysics Data System (ADS)

Sheinin, Maxim Y.; Forth, Scott; Marko, John F.; Wang, Michelle D.

2011-09-01

DNA melting under torsion plays an important role in a wide variety of cellular processes. In the present Letter, we have investigated DNA melting at the single-molecule level using an angular optical trap. By directly measuring force, extension, torque, and angle of DNA, we determined the structural and elastic parameters of torsionally melted DNA. Our data reveal that under moderate forces, the melted DNA assumes a left-handed structure as opposed to an open bubble conformation and is highly torsionally compliant. We have also discovered that at low forces melted DNA properties are highly dependent on DNA sequence. These results provide a more comprehensive picture of the global DNA force-torque phase diagram.

A new qualitative acoustic emission parameter based on Shannon's entropy for damage monitoring

NASA Astrophysics Data System (ADS)

Chai, Mengyu; Zhang, Zaoxiao; Duan, Quan

2018-02-01

An important objective of acoustic emission (AE) non-destructive monitoring is to accurately identify approaching critical damage and to avoid premature failure by means of the evolutions of AE parameters. One major drawback of most parameters such as count and rise time is that they are strongly dependent on the threshold and other settings employed in AE data acquisition system. This may hinder the correct reflection of original waveform generated from AE sources and consequently bring difficulty for the accurate identification of the critical damage and early failure. In this investigation, a new qualitative AE parameter based on Shannon's entropy, i.e. AE entropy is proposed for damage monitoring. Since it derives from the uncertainty of amplitude distribution of each AE waveform, it is independent of the threshold and other time-driven parameters and can characterize the original micro-structural deformations. Fatigue crack growth test on CrMoV steel and three point bending test on a ductile material are conducted to validate the feasibility and effectiveness of the proposed parameter. The results show that the new parameter, compared to AE amplitude, is more effective in discriminating the different damage stages and identifying the critical damage.

Likelihood analysis of spatial capture-recapture models for stratified or class structured populations

USGS Publications Warehouse

Royle, J. Andrew; Sutherland, Christopher S.; Fuller, Angela K.; Sun, Catherine C.

2015-01-01

We develop a likelihood analysis framework for fitting spatial capture-recapture (SCR) models to data collected on class structured or stratified populations. Our interest is motivated by the necessity of accommodating the problem of missing observations of individual class membership. This is particularly problematic in SCR data arising from DNA analysis of scat, hair or other material, which frequently yields individual identity but fails to identify the sex. Moreover, this can represent a large fraction of the data and, given the typically small sample sizes of many capture-recapture studies based on DNA information, utilization of the data with missing sex information is necessary. We develop the class structured likelihood for the case of missing covariate values, and then we address the scaling of the likelihood so that models with and without class structured parameters can be formally compared regardless of missing values. We apply our class structured model to black bear data collected in New York in which sex could be determined for only 62 of 169 uniquely identified individuals. The models containing sex-specificity of both the intercept of the SCR encounter probability model and the distance coefficient, and including a behavioral response are strongly favored by log-likelihood. Estimated population sex ratio is strongly influenced by sex structure in model parameters illustrating the importance of rigorous modeling of sex differences in capture-recapture models.

Synthesis of structured triacylglycerols containing caproic acid by lipase-catalyzed acidolysis: optimization by response surface methodology.

PubMed

Zhou, D; Xu, X; Mu, H; Høy, C E; Adler-Nissen, J

2001-12-01

Production in a batch reactor with a solvent-free system of structured triacylglycerols containing short-chain fatty acids by Lipozyme RM IM-catalyzed acidolysis between rapeseed oil and caproic acid was optimized using response surface methodology (RSM). Reaction time (t(r)), substrate ratio (S(r)), enzyme load (E(l), based on substrate), water content (W(c), based on enzyme), and reaction temperature (T(e)), the five most important parameters for the reaction, were chosen for the optimization. The range of each parameter was selected as follows: t(r) = 5-17 h; E(l) = 6-14 wt %; T(e) = 45-65 degrees C; S(r) = 2-6 mol/mol; and W(c) = 2-12 wt %. The biocatalyst was Lipozyme RM IM, in which Rhizomucor miehei lipase is immobilized on a resin. The incorporation of caproic acid into rapeseed oil was the main monitoring response. In addition, the contents of mono-incorporated structured triacylglycerols and di-incorporated structured triacylglycerols were also evaluated. The optimal reaction conditions for the incorporation of caproic acid and the content of di-incorporated structured triacylglycerols were as follows: t(r) = 17 h; S(r) = 5; E(l) = 14 wt %; W(c) = 10 wt %; T(e) = 65 degrees C. At these conditions, products with 55 mol % incorporation of caproic acid and 55 mol % di-incorporated structured triacylglycerols were obtained.

Population models for passerine birds: structure, parameterization, and analysis

USGS Publications Warehouse

Noon, B.R.; Sauer, J.R.; McCullough, D.R.; Barrett, R.H.

1992-01-01

Population models have great potential as management tools, as they use infonnation about the life history of a species to summarize estimates of fecundity and survival into a description of population change. Models provide a framework for projecting future populations, determining the effects of management decisions on future population dynamics, evaluating extinction probabilities, and addressing a variety of questions of ecological and evolutionary interest. Even when insufficient information exists to allow complete identification of the model, the modelling procedure is useful because it forces the investigator to consider the life history of the species when determining what parameters should be estimated from field studies and provides a context for evaluating the relative importance of demographic parameters. Models have been little used in the study of the population dynamics of passerine birds because of: (1) widespread misunderstandings of the model structures and parameterizations, (2) a lack of knowledge of life histories of many species, (3) difficulties in obtaining statistically reliable estimates of demographic parameters for most passerine species, and (4) confusion about functional relationships among demographic parameters. As a result, studies of passerine demography are often designed inappropriately and fail to provide essential data. We review appropriate models for passerine bird populations and illustrate their possible uses in evaluating the effects of management or other environmental influences on population dynamics. We identify environmental influences on population dynamics. We identify parameters that must be estimated from field data, briefly review existing statistical methods for obtaining valid estimates, and evaluate the present status of knowledge of these parameters.

Wind erosion in semiarid landscapes: Predictive models and remote sensing methods for the influence of vegetation

NASA Technical Reports Server (NTRS)

Musick, H. Brad

1993-01-01

The objectives of this research are: to develop and test predictive relations for the quantitative influence of vegetation canopy structure on wind erosion of semiarid rangeland soils, and to develop remote sensing methods for measuring the canopy structural parameters that determine sheltering against wind erosion. The influence of canopy structure on wind erosion will be investigated by means of wind-tunnel and field experiments using structural variables identified by the wind-tunnel and field experiments using model roughness elements to simulate plant canopies. The canopy structural variables identified by the wind-tunnel and field experiments as important in determining vegetative sheltering against wind erosion will then be measured at a number of naturally vegetated field sites and compared with estimates of these variables derived from analysis of remotely sensed data.

Impact of livestock on a mosquito community (Diptera: Culicidae) in a Brazilian tropical dry forest.

PubMed

Santos, Cleandson Ferreira; Borges, Magno

2015-01-01

This study evaluated the effects of cattle removal on the Culicidae mosquito community structure in a tropical dry forest in Brazil. Culicidae were collected during dry and wet seasons in cattle presence and absence between August 2008 and October 2010 and assessed using multivariate statistical models. Cattle removal did not significantly alter Culicidae species richness and abundance. However, alterations were noted in Culicidae community composition. This is the first study to evaluate the impact of cattle removal on Culicidae community structure in Brazil and demonstrates the importance of assessing ecological parameters such as community species composition.

Cation Selectivity in Biological Cation Channels Using Experimental Structural Information and Statistical Mechanical Simulation

PubMed Central

Finnerty, Justin John

2015-01-01

Cation selective channels constitute the gate for ion currents through the cell membrane. Here we present an improved statistical mechanical model based on atomistic structural information, cation hydration state and without tuned parameters that reproduces the selectivity of biological Na+ and Ca2+ ion channels. The importance of the inclusion of step-wise cation hydration in these results confirms the essential role partial dehydration plays in the bacterial Na+ channels. The model, proven reliable against experimental data, could be straightforwardly used for designing Na+ and Ca2+ selective nanopores. PMID:26460827

Extension of TOPAS for the simulation of proton radiation effects considering molecular and cellular endpoints

NASA Astrophysics Data System (ADS)

Polster, Lisa; Schuemann, Jan; Rinaldi, Ilaria; Burigo, Lucas; McNamara, Aimee L.; Stewart, Robert D.; Attili, Andrea; Carlson, David J.; Sato, Tatsuhiko; Ramos Méndez, José; Faddegon, Bruce; Perl, Joseph; Paganetti, Harald

2015-07-01

The aim of this work is to extend a widely used proton Monte Carlo tool, TOPAS, towards the modeling of relative biological effect (RBE) distributions in experimental arrangements as well as patients. TOPAS provides a software core which users configure by writing parameter files to, for instance, define application specific geometries and scoring conditions. Expert users may further extend TOPAS scoring capabilities by plugging in their own additional C++ code. This structure was utilized for the implementation of eight biophysical models suited to calculate proton RBE. As far as physics parameters are concerned, four of these models are based on the proton linear energy transfer, while the others are based on DNA double strand break induction and the frequency-mean specific energy, lineal energy, or delta electron generated track structure. The biological input parameters for all models are typically inferred from fits of the models to radiobiological experiments. The model structures have been implemented in a coherent way within the TOPAS architecture. Their performance was validated against measured experimental data on proton RBE in a spread-out Bragg peak using V79 Chinese Hamster cells. This work is an important step in bringing biologically optimized treatment planning for proton therapy closer to the clinical practice as it will allow researchers to refine and compare pre-defined as well as user-defined models.

Extension of TOPAS for the simulation of proton radiation effects considering molecular and cellular endpoints

PubMed Central

Polster, Lisa; Schuemann, Jan; Rinaldi, Ilaria; Burigo, Lucas; McNamara, Aimee L.; Stewart, Robert D.; Attili, Andrea; Carlson, David J.; Sato, Tatsuhiko; Méndez, José Ramos; Faddegon, Bruce; Perl, Joseph; Paganetti, Harald

2015-01-01

The aim of this work is to extend a widely used proton Monte Carlo tool, TOPAS, towards the modeling of relative biological effect (RBE) distributions in experimental arrangements as well as patients. TOPAS provides a software core which users configure by writing parameter files to, for instance, define application specific geometries and scoring conditions. Expert users may further extend TOPAS scoring capabilities by plugging in their own additional C++ code. This structure was utilized for the implementation of eight biophysical models suited to calculate proton RBE. As far as physics parameters are concerned, four of these models are based on the proton linear energy transfer (LET), while the others are based on DNA Double Strand Break (DSB) induction and the frequency-mean specific energy, lineal energy, or delta electron generated track structure. The biological input parameters for all models are typically inferred from fits of the models to radiobiological experiments. The model structures have been implemented in a coherent way within the TOPAS architecture. Their performance was validated against measured experimental data on proton RBE in a spread-out Bragg peak using V79 Chinese Hamster cells. This work is an important step in bringing biologically optimized treatment planning for proton therapy closer to the clinical practice as it will allow researchers to refine and compare pre-defined as well as user-defined models. PMID:26061666

Dysphagia After Chemoradiotherapy for Head-and-Neck Squamous Cell Carcinoma: Dose-Effect Relationships for the Swallowing Structures

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

Dirix, Piet; Abbeel, Sarah; Vanstraelen, Bianca

2009-10-01

Purpose: To evaluate late dysphagia after chemoradiotherapy for locally advanced head-and-neck squamous cell carcinoma, and to examine its correlation with clinical and dosimetric parameters. Methods and Materials: Consecutive patients, treated with radiotherapy (70-72 Gy) and concomitant chemotherapy (cisplatinum 100 mg/m{sup 2} every 3 weeks) between 2004 and 2007, were examined. Swallowing was evaluated by four quality-of-life questionnaires: EORTC C30 and H and N35, the Performance Status Scale of List, and the MD Anderson Dysphagia Inventory. Clinical and dosimetric parameters were correlated with late dysphagia. Results: A total of 53 disease-free patients were evaluated; mean follow-up was 20.4 months (range, 6-45more » months). The volume of the middle pharyngeal constrictor muscle receiving {>=}50 Gy (p = 0.04), the mean dose to this structure (p = 0.02) and to the supraglottic larynx (p = 0.04) were significantly associated with late swallowing problems at univariate analysis, along with tumor localization (p = 0.008), T-classification (p = 0.02), and pretreatment swallowing problems (p = 0.01). Only this last factor significantly correlated with late dysphagia at multivariate analysis. Conclusion: These findings motivate further efforts to reduce the dose to the swallowing structures, especially to the pharyngeal constrictor muscles and the larynx. However, clinical parameters are also important and should be included in future prospective trials.« less

Investigation of the effects of melt electrospinning parameters on the direct-writing fiber size using orthogonal design

NASA Astrophysics Data System (ADS)

He, Feng-Li; He, Jin; Deng, Xudong; Li, Da-Wei; Ahmad, Fiaz; Liu, Yang-Yang; Liu, Ya-Li; Ye, Ya-Jing; Zhang, Chen-Yan; Yin, Da-Chuan

2017-10-01

Melt electrospinning is a complex process, and many of the processing parameters can impact the result of fiber formation. In this paper, we conducted a systematic investigation on the impacts of the melt electrospinning parameters (including temperature, needle gauge, flow rate and collector speed) on the fiber diameter via an orthogonal design experiment. The straight single fibers were fabricated using melt electrospinning in a direct-writing way with a diameter varied from 9.68  ±  0.93 µm to 48.55  ±  3.72 µm. The results showed that the fiber diameter changed differently against different parameters: when the temperature or needle gauge increased, the fiber diameter increased first and then decreased; when the flow rate increased, the fiber diameter decreased first and then increased; when the collector speed increased, the fiber diameter decreased monotonously. We also found that the collector speed was the most influential factor while the needle gauge was least important in determining the diameter of the fiber. Moreover, the feasibility of melt electrospinning in a direct-writing way as a novel 3D printing technology had been demonstrated by fabricating both uniform and controllable structures with high accuracy, based on the optimal parameters from the orthogonal experiments. The promising results indicated that melt electrospinning can be developed as a powerful technique for fabricating miniatured parts with high resolution and controllable structures for versatile potential applications.

The diagram of phase-field crystal structures: an influence of model parameters in a two-mode approximation

NASA Astrophysics Data System (ADS)

Ankudinov, V.; Galenko, P. K.

2017-04-01

Effect of phase-field crystal model (PFC-model) parameters on the structure diagram is analyzed. The PFC-model is taken in a two-mode approximation and the construction of structure diagram follows from the free energy minimization and Maxwell thermodynamic rule. The diagram of structure’s coexistence for three dimensional crystal structures [Body-Centered-Cubic (BCC), Face-Centered-Cubic (FCC) and homogeneous structures] are constructed. An influence of the model parameters, including the stability parameters, are discussed. A question about the structure diagram construction using the two-mode PFC-model with the application to real materials is established.

Bayesian comparison of protein structures using partial Procrustes distance.

PubMed

Ejlali, Nasim; Faghihi, Mohammad Reza; Sadeghi, Mehdi

2017-09-26

An important topic in bioinformatics is the protein structure alignment. Some statistical methods have been proposed for this problem, but most of them align two protein structures based on the global geometric information without considering the effect of neighbourhood in the structures. In this paper, we provide a Bayesian model to align protein structures, by considering the effect of both local and global geometric information of protein structures. Local geometric information is incorporated to the model through the partial Procrustes distance of small substructures. These substructures are composed of β-carbon atoms from the side chains. Parameters are estimated using a Markov chain Monte Carlo (MCMC) approach. We evaluate the performance of our model through some simulation studies. Furthermore, we apply our model to a real dataset and assess the accuracy and convergence rate. Results show that our model is much more efficient than previous approaches.

‘Action’ on structured freeform surfaces

NASA Astrophysics Data System (ADS)

Whitehouse, David J.

2018-06-01

Surfaces are becoming more complex partly due to the more complicated function required of them and partly due to the introduction of different manufacturing processes. These have thrown into relief the need to consider new ways of measuring and characterizing such surfaces and more importantly to make such characterization more relevant by tying together the geometry and the function more closely. The surfaces which have freeform and structure have been chosen to be a carrier for this investigation because so far there has been little work carried out in this neglected but potentially important area. This necessitates the development of a strategy for their characterization. In this article, some ways have been found of identifying possible strategies for tackling this characterization problem but also linking this characterization to performance and manufacture, based in part on the principles of least action and on the way that nature has evolved to solve the marriage of flexible freeform geometry, structure and function. Recommendations are made for the most suitable surface parameter to use which satisfies the requirement for characterizing structured freeform surfaces as well as utilizing ‘Action’ to predict functionality.

Approaches in fostering quality parameters for medicinal botanicals in the Indian context.

PubMed

Gupta, Pooja D; Daswani, Poonam G; Birdi, Tannaz J

2014-01-01

India is among the important megabiodiversity centers of the world with nearly 45,000 known plant species. This diversity coupled with a rich heritage of traditional knowledge has made India a home to several important time-honored systems of health care such as Ayurveda, Siddha and Unani. Herbal medicines, however, are associated with a number of shortcomings including uniform efficacy and lack of appropriate quality control measures at various stages of product development. The review intends to outline the importance of fostering quality parameters towards standardization and manufacturing of botanicals for India to emerge as a leader in global market of herbal products. Literature survey was carried out on important parameters for processing and manufacturing of botanicals. The review highlights that there have been constant efforts for developing state of the art technologies in the field of herbal research. It also reflects that Government authorities have also taken a number of initiatives to formulate appropriate guidelines from standardization of raw materials to obtaining botanical products. However, in the Indian context, there exist certain lacunae in the current regulatory mechanisms which need to be strengthened and stringently implemented to ensure safety, purity and efficacy of herbal medicines. Towards this the approaches being developed globally can be adopted. Based on the literature reviewed, in our opinion, four areas viz., benefit sharing, investment by industry, standardization and national/international networking structure need immediate attention for strengthening Traditional Systems of Medicine in India.

AAA gunnermodel based on observer theory. [predicting a gunner's tracking response

NASA Technical Reports Server (NTRS)

Kou, R. S.; Glass, B. C.; Day, C. N.; Vikmanis, M. M.

1978-01-01

The Luenberger observer theory is used to develop a predictive model of a gunner's tracking response in antiaircraft artillery systems. This model is composed of an observer, a feedback controller and a remnant element. An important feature of the model is that the structure is simple, hence a computer simulation requires only a short execution time. A parameter identification program based on the least squares curve fitting method and the Gauss Newton gradient algorithm is developed to determine the parameter values of the gunner model. Thus, a systematic procedure exists for identifying model parameters for a given antiaircraft tracking task. Model predictions of tracking errors are compared with human tracking data obtained from manned simulation experiments. Model predictions are in excellent agreement with the empirical data for several flyby and maneuvering target trajectories.

The Impact Of Surface Shape Of Chip-Breaker On Machined Surface

NASA Astrophysics Data System (ADS)

Šajgalík, Michal; Czán, Andrej; Martinček, Juraj; Varga, Daniel; Hemžský, Pavel; Pitela, David

2015-12-01

Machined surface is one of the most used indicators of workpiece quality. But machined surface is influenced by several factors such as cutting parameters, cutting material, shape of cutting tool or cutting insert, micro-structure of machined material and other known as technological parameters. By improving of these parameters, we can improve machined surface. In the machining, there is important to identify the characteristics of main product of these processes - workpiece, but also the byproduct - the chip. Size and shape of chip has impact on lifetime of cutting tools and its inappropriate form can influence the machine functionality and lifetime, too. This article deals with elimination of long chip created when machining of shaft in automotive industry and with impact of shape of chip-breaker on shape of chip in various cutting conditions based on production requirements.

[Infection Prevention in Premature Infants and Newborns in Thuringia: Implementation of Recommendation of the Commission for Hospital Hygiene and Infection Prevention (KRINKO)].

PubMed

Dawczynski, Kristin; Schleußner, Ekkehard; Dobermann, Helke; Proquitté, Hans

2017-02-01

Systematic recording of practical implementation of current recommendations of KRINKO for the prevention of nosocomial infections in premature and newborn infants in children's hospitals in Thuringia. All neonatal treatment centers in Thuringia (n=18) were included in this survey. Answer were received from 83% (15/18). Degree of compliance was 100% in level-1 (3/3) and level-2 centers (5/5), and 70% in level-3 centers (7/10). The aim of the questionnaire was to evaluate infection prevention measures as well as structural/organizational parameters in neonatal centers in Thuringia. Preventive measures as well as weekly screening for colonization was fully performed in patients with a birth weight <1 500 g (n=205) at all centers. Additionally, prolonged screening and colonization surveillance measures were performed in 60% of all units until discharge from the hospital. Results related to structural/organizational parameters and especially structural conditions in neonatal centers in Thuringia pointed up challenges (2 m minimum distance between incubators in 27% (n=4/15), isolation in single room in 53% (n=8/15)). Insufficient number of staff also hamper the complete implementation of KRINKO recommendations (intensive care unit: patient/staff ratio (MW±SD) 2.5±1.1; newborn area 4.3±0.9). Analysis shows actual rate of implementation of KRINKO recommendations as well as structural/organizational parameters in neonatal treatment centers in Thuringia. It provides important points for discussion regarding necessary staff numbers and structural conditions. Analysis could also be used for future surveys in other regions in Germany. © Georg Thieme Verlag KG Stuttgart · New York.

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.

An Efficient Analysis Methodology for Fluted-Core Composite Structures

NASA Technical Reports Server (NTRS)

Oremont, Leonard; Schultz, Marc R.

2012-01-01

The primary loading condition in launch-vehicle barrel sections is axial compression, and it is therefore important to understand the compression behavior of any structures, structural concepts, and materials considered in launch-vehicle designs. This understanding will necessarily come from a combination of test and analysis. However, certain potentially beneficial structures and structural concepts do not lend themselves to commonly used simplified analysis methods, and therefore innovative analysis methodologies must be developed if these structures and structural concepts are to be considered. This paper discusses such an analysis technique for the fluted-core sandwich composite structural concept. The presented technique is based on commercially available finite-element codes, and uses shell elements to capture behavior that would normally require solid elements to capture the detailed mechanical response of the structure. The shell thicknesses and offsets using this analysis technique are parameterized, and the parameters are adjusted through a heuristic procedure until this model matches the mechanical behavior of a more detailed shell-and-solid model. Additionally, the detailed shell-and-solid model can be strategically placed in a larger, global shell-only model to capture important local behavior. Comparisons between shell-only models, experiments, and more detailed shell-and-solid models show excellent agreement. The discussed analysis methodology, though only discussed in the context of fluted-core composites, is widely applicable to other concepts.

Mathematical model of the heat transfer process taking into account the consequences of nonlocality in structurally sensitive materials

NASA Astrophysics Data System (ADS)

Kuvyrkin, G. N.; Savelyeva, I. Y.; Kuvshynnikova, D. A.

2018-04-01

Creation of new materials based on nanotechnology is an important direction of modern materials science development. Materials obtained using nanotechnology can possess unique physical-mechanical and thermophysical properties, allowing their effective use in structures exposed to high-intensity thermomechanical effects. An important step in creation and use of new materials is the construction of mathematical models to describe the behavior of these materials in a wide range of changes under external effects. The model of heat conduction of structural-sensitive materials is considered with regard to the medium nonlocality effects. The relations of the mathematical model include an integral term describing the spatial nonlocality of the medium. A difference scheme, which makes it possible to obtain a numerical solution of the problem of nonstationary heat conduction with regard to the influence of the medium nonlocality on space, has been developed. The influence of the model parameters on the temperature distributions is analyzed.

A generative spike train model with time-structured higher order correlations.

PubMed

Trousdale, James; Hu, Yu; Shea-Brown, Eric; Josić, Krešimir

2013-01-01

Emerging technologies are revealing the spiking activity in ever larger neural ensembles. Frequently, this spiking is far from independent, with correlations in the spike times of different cells. Understanding how such correlations impact the dynamics and function of neural ensembles remains an important open problem. Here we describe a new, generative model for correlated spike trains that can exhibit many of the features observed in data. Extending prior work in mathematical finance, this generalized thinning and shift (GTaS) model creates marginally Poisson spike trains with diverse temporal correlation structures. We give several examples which highlight the model's flexibility and utility. For instance, we use it to examine how a neural network responds to highly structured patterns of inputs. We then show that the GTaS model is analytically tractable, and derive cumulant densities of all orders in terms of model parameters. The GTaS framework can therefore be an important tool in the experimental and theoretical exploration of neural dynamics.

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.

Importance of the DNA “bond” in programmable nanoparticle crystallization

PubMed Central

Macfarlane, Robert J.; Thaner, Ryan V.; Brown, Keith A.; Zhang, Jian; Lee, Byeongdu; Nguyen, SonBinh T.; Mirkin, Chad A.

2014-01-01

If a solution of DNA-coated nanoparticles is allowed to crystallize, the thermodynamic structure can be predicted by a set of structural design rules analogous to Pauling’s rules for ionic crystallization. The details of the crystallization process, however, have proved more difficult to characterize as they depend on a complex interplay of many factors. Here, we report that this crystallization process is dictated by the individual DNA bonds and that the effect of changing structural or environmental conditions can be understood by considering the effect of these parameters on free oligonucleotides. Specifically, we observed the reorganization of nanoparticle superlattices using time-resolved synchrotron small-angle X-ray scattering in systems with different DNA sequences, salt concentrations, and densities of DNA linkers on the surface of the nanoparticles. The agreement between bulk crystallization and the behavior of free oligonucleotides may bear important consequences for constructing novel classes of crystals and incorporating new interparticle bonds in a rational manner. PMID:25298535

Brain blood vessel segmentation using line-shaped profiles

NASA Astrophysics Data System (ADS)

Babin, Danilo; Pižurica, Aleksandra; De Vylder, Jonas; Vansteenkiste, Ewout; Philips, Wilfried

2013-11-01

Segmentation of cerebral blood vessels is of great importance in diagnostic and clinical applications, especially for embolization of cerebral aneurysms and arteriovenous malformations (AVMs). In order to perform embolization of the AVM, the structural and geometric information of blood vessels from 3D images is of utmost importance. For this reason, the in-depth segmentation of cerebral blood vessels is usually done as a fusion of different segmentation techniques, often requiring extensive user interaction. In this paper we introduce the idea of line-shaped profiling with an application to brain blood vessel and AVM segmentation, efficient both in terms of resolving details and in terms of computation time. Our method takes into account both local proximate and wider neighbourhood of the processed pixel, which makes it efficient for segmenting large blood vessel tree structures, as well as fine structures of the AVMs. Another advantage of our method is that it requires selection of only one parameter to perform segmentation, yielding very little user interaction.

A range of complex probabilistic models for RNA secondary structure prediction that includes the nearest-neighbor model and more.

PubMed

Rivas, Elena; Lang, Raymond; Eddy, Sean R

2012-02-01

The standard approach for single-sequence RNA secondary structure prediction uses a nearest-neighbor thermodynamic model with several thousand experimentally determined energy parameters. An attractive alternative is to use statistical approaches with parameters estimated from growing databases of structural RNAs. Good results have been reported for discriminative statistical methods using complex nearest-neighbor models, including CONTRAfold, Simfold, and ContextFold. Little work has been reported on generative probabilistic models (stochastic context-free grammars [SCFGs]) of comparable complexity, although probabilistic models are generally easier to train and to use. To explore a range of probabilistic models of increasing complexity, and to directly compare probabilistic, thermodynamic, and discriminative approaches, we created TORNADO, a computational tool that can parse a wide spectrum of RNA grammar architectures (including the standard nearest-neighbor model and more) using a generalized super-grammar that can be parameterized with probabilities, energies, or arbitrary scores. By using TORNADO, we find that probabilistic nearest-neighbor models perform comparably to (but not significantly better than) discriminative methods. We find that complex statistical models are prone to overfitting RNA structure and that evaluations should use structurally nonhomologous training and test data sets. Overfitting has affected at least one published method (ContextFold). The most important barrier to improving statistical approaches for RNA secondary structure prediction is the lack of diversity of well-curated single-sequence RNA secondary structures in current RNA databases.

A range of complex probabilistic models for RNA secondary structure prediction that includes the nearest-neighbor model and more

PubMed Central

Rivas, Elena; Lang, Raymond; Eddy, Sean R.

2012-01-01

The standard approach for single-sequence RNA secondary structure prediction uses a nearest-neighbor thermodynamic model with several thousand experimentally determined energy parameters. An attractive alternative is to use statistical approaches with parameters estimated from growing databases of structural RNAs. Good results have been reported for discriminative statistical methods using complex nearest-neighbor models, including CONTRAfold, Simfold, and ContextFold. Little work has been reported on generative probabilistic models (stochastic context-free grammars [SCFGs]) of comparable complexity, although probabilistic models are generally easier to train and to use. To explore a range of probabilistic models of increasing complexity, and to directly compare probabilistic, thermodynamic, and discriminative approaches, we created TORNADO, a computational tool that can parse a wide spectrum of RNA grammar architectures (including the standard nearest-neighbor model and more) using a generalized super-grammar that can be parameterized with probabilities, energies, or arbitrary scores. By using TORNADO, we find that probabilistic nearest-neighbor models perform comparably to (but not significantly better than) discriminative methods. We find that complex statistical models are prone to overfitting RNA structure and that evaluations should use structurally nonhomologous training and test data sets. Overfitting has affected at least one published method (ContextFold). The most important barrier to improving statistical approaches for RNA secondary structure prediction is the lack of diversity of well-curated single-sequence RNA secondary structures in current RNA databases. PMID:22194308

Advantages of estimating parameters of photosynthesis model by fitting A-Ci curves at multiple subsaturating light intensities

NASA Astrophysics Data System (ADS)

Fu, W.; Gu, L.; Hoffman, F. M.

2013-12-01

The photosynthesis model of Farquhar, von Caemmerer & Berry (1980) is an important tool for predicting the response of plants to climate change. So far, the critical parameters required by the model have been obtained from the leaf-level measurements of gas exchange, namely the net assimilation of CO2 against intercellular CO2 concentration (A-Ci) curves, made at saturating light conditions. With such measurements, most points are likely in the Rubisco-limited state for which the model is structurally overparameterized (the model is also overparameterized in the TPU-limited state). In order to reliably estimate photosynthetic parameters, there must be sufficient number of points in the RuBP regeneration-limited state, which has no structural over-parameterization. To improve the accuracy of A-Ci data analysis, we investigate the potential of using multiple A-Ci curves at subsaturating light intensities to generate some important parameter estimates more accurately. Using subsaturating light intensities allow more RuBp regeneration-limited points to be obtained. In this study, simulated examples are used to demonstrate how this method can eliminate the errors of conventional A-Ci curve fitting methods. Some fitted parameters like the photocompensation point and day respiration impose a significant limitation on modeling leaf CO2 exchange. The multiple A-Ci curves fitting can also improve over the so-called Laisk (1977) method, which was shown by some recent publication to produce incorrect estimates of photocompensation point and day respiration. We also test the approach with actual measurements, along with suggested measurement conditions to constrain measured A-Ci points to maximize the occurrence of RuBP regeneration-limited photosynthesis. Finally, we use our measured gas exchange datasets to quantify the magnitude of resistance of chloroplast and cell wall-plasmalemma and explore the effect of variable mesophyll conductance. The variable mesophyll conductance takes into account the influence of CO2 from mitochondria, comparing to the commonly used constant value of mesophyll conductance. We show that after considering this effect the other parameters of the photosynthesis model can be re-estimated. Our results indicate that variable mesophyll conductance has most effect on the estimation of the parameter of the maximum electron transport rate (Jmax), but has a negligible impact on the estimated day respiration (Rd) and photocompensation point (<2%).

A cable-driven wrist robotic rehabilitator using a novel torque-field controller for human motion training.

PubMed

Chen, Weihai; Cui, Xiang; Zhang, Jianbin; Wang, Jianhua

2015-06-01

Rehabilitation technologies have great potentials in assisted motion training for stroke patients. Considering that wrist motion plays an important role in arm dexterous manipulation of activities of daily living, this paper focuses on developing a cable-driven wrist robotic rehabilitator (CDWRR) for motion training or assistance to subjects with motor disabilities. The CDWRR utilizes the wrist skeletal joints and arm segments as the supporting structure and takes advantage of cable-driven parallel design to build the system, which brings the properties of flexibility, low-cost, and low-weight. The controller of the CDWRR is designed typically based on a virtual torque-field, which is to plan "assist-as-needed" torques for the spherical motion of wrist responding to the orientation deviation in wrist motion training. The torque-field controller can be customized to different levels of rehabilitation training requirements by tuning the field parameters. Additionally, a rapidly convergent parameter self-identification algorithm is developed to obtain the uncertain parameters automatically for the floating wearable structure of the CDWRR. Finally, experiments on a healthy subject are carried out to demonstrate the performance of the controller and the feasibility of the CDWRR on wrist motion training or assistance.

Anisotropic Effects on Constitutive Model Parameters of Aluminum Alloys

NASA Astrophysics Data System (ADS)

Brar, Nachhatter; Joshi, Vasant

2011-06-01

Simulation of low velocity impact on structures or high velocity penetration in armor materials heavily rely on constitutive material models. The model constants are required input to computer codes (LS-DYNA, DYNA3D or SPH) to accurately simulate fragment impact on structural components made of high strength 7075-T651 aluminum alloys. Johnson-Cook model constants determined for Al7075-T651 alloy bar material failed to simulate correctly the penetration into 1' thick Al-7075-T651plates. When simulations go well beyond minor parameter tweaking and experimental results are drastically different it is important to determine constitutive parameters from the actual material used in impact/penetration experiments. To investigate anisotropic effects on the yield/flow stress of this alloy we performed quasi-static and high strain rate tensile tests on specimens fabricated in the longitudinal, transverse, and thickness directions of 1' thick Al7075-T651 plate. Flow stresses at a strain rate of ~1100/s in the longitudinal and transverse direction are similar around 670MPa and decreases to 620 MPa in the thickness direction. These data are lower than the flow stress of 760 MPa measured in Al7075-T651 bar stock.

Relationships between pathology and crystal structure in breast calcifications: an in situ X-ray diffraction study in histological sections

PubMed Central

Scott, Robert; Stone, Nicholas; Kendall, Catherine; Geraki, Kalotina; Rogers, Keith

2016-01-01

Calcifications are not only one of the most important early diagnostic markers of breast cancer, but are also increasingly believed to aggravate the proliferation of cancer cells and invasion of surrounding tissue. Moreover, this influence appears to vary with calcification composition. Despite this, remarkably little is known about the composition and crystal structure of the most common type of breast calcifications, and how this differs between benign and malignant lesions. We sought to determine how the phase composition and crystallographic parameters within calcifications varies with pathology, using synchrotron X-ray diffraction. This is the first time crystallite size and lattice parameters have been measured in breast calcifications, and we found that these both parallel closely the changes in these parameters with age observed in fetal bone. We also discovered that these calcifications contain a small proportion of magnesium whitlockite, and that this proportion increases from benign to in situ to invasive cancer. When combined with other recent evidence on the effect of magnesium on hydroxyapatite precipitation, this suggests a mechanism explaining observations that carbonate levels within breast calcifications are lower in malignant specimens. PMID:28721386

Bootstrap percolation on spatial networks

NASA Astrophysics Data System (ADS)

Gao, Jian; Zhou, Tao; Hu, Yanqing

2015-10-01

Bootstrap percolation is a general representation of some networked activation process, which has found applications in explaining many important social phenomena, such as the propagation of information. Inspired by some recent findings on spatial structure of online social networks, here we study bootstrap percolation on undirected spatial networks, with the probability density function of long-range links’ lengths being a power law with tunable exponent. Setting the size of the giant active component as the order parameter, we find a parameter-dependent critical value for the power-law exponent, above which there is a double phase transition, mixed of a second-order phase transition and a hybrid phase transition with two varying critical points, otherwise there is only a second-order phase transition. We further find a parameter-independent critical value around -1, about which the two critical points for the double phase transition are almost constant. To our surprise, this critical value -1 is just equal or very close to the values of many real online social networks, including LiveJournal, HP Labs email network, Belgian mobile phone network, etc. This work helps us in better understanding the self-organization of spatial structure of online social networks, in terms of the effective function for information spreading.

A cable-driven wrist robotic rehabilitator using a novel torque-field controller for human motion training

NASA Astrophysics Data System (ADS)

Chen, Weihai; Cui, Xiang; Zhang, Jianbin; Wang, Jianhua

2015-06-01

Rehabilitation technologies have great potentials in assisted motion training for stroke patients. Considering that wrist motion plays an important role in arm dexterous manipulation of activities of daily living, this paper focuses on developing a cable-driven wrist robotic rehabilitator (CDWRR) for motion training or assistance to subjects with motor disabilities. The CDWRR utilizes the wrist skeletal joints and arm segments as the supporting structure and takes advantage of cable-driven parallel design to build the system, which brings the properties of flexibility, low-cost, and low-weight. The controller of the CDWRR is designed typically based on a virtual torque-field, which is to plan "assist-as-needed" torques for the spherical motion of wrist responding to the orientation deviation in wrist motion training. The torque-field controller can be customized to different levels of rehabilitation training requirements by tuning the field parameters. Additionally, a rapidly convergent parameter self-identification algorithm is developed to obtain the uncertain parameters automatically for the floating wearable structure of the CDWRR. Finally, experiments on a healthy subject are carried out to demonstrate the performance of the controller and the feasibility of the CDWRR on wrist motion training or assistance.

Photonic crystal-based optical biosensor: a brief investigation

NASA Astrophysics Data System (ADS)

Divya, J.; Selvendran, S.; Sivanantha Raja, A.

2018-06-01

In this paper, a two-dimensional photonic crystal biosensor for medical applications based on two waveguides and a nanocavity was explored with different shoulder-coupled nanocavity structures. The most important biosensor parameters, like the sensitivity and quality factor, can be significantly improved. By injecting an analyte into a sensing hole, the refractive index of the hole was changed. This refractive index biosensor senses the changes and shifts its operating wavelength accordingly. The transmission characteristics of light in the biosensor under different refractive indices that correspond to the change in the analyte concentration are analyzed by the finite-difference time-domain method. The band gap for each structure is designed and observed by the plane wave expansion method. These proposed structures are designed to obtain an analyte refractive index variation of about 1–1.5 in an optical wavelength range of 1.250–1.640 µm. Accordingly, an improved sensitivity of 136.6 nm RIU‑1 and a quality factor as high as 3915 is achieved. An important feature of this structure is its very small dimensions. Such a combination of attributes makes the designed structure a promising element for label-free biosensing applications.

Full-scale monitoring of wind and suspension bridge response

NASA Astrophysics Data System (ADS)

Snæbjörnsson, J. T.; Jakobsen, J. B.; Cheynet, E.; Wang, J.

2017-12-01

Monitoring of real structures is important for many reasons. For structures susceptible to environmental actions, full-scale observations can provide valuable information about the environmental conditions at the site, as well as the characteristics of the excitation acting on the structure. The recorded data, if properly analyzed, can be used to validate and/or update experiments and models used in the design of new structures, such as the load description and modelling of the structural response. Various aspects of full-scale monitoring are discussed in the paper and the full-scale wind engineering laboratory at the Lysefjord suspension bridge introduced. The natural excitation of the bridge comes from wind and traffic. The surrounding terrain is complex and its effect on the wind flow can only be fully studied on site, in full-scale. The monitoring program and associated data analysis are described. These include various studies of the relevant turbulence characteristics, identification of dynamic properties and estimation of wind- and traffic-induced response parameters. The overall monitoring activity also included a novel application of the remote optical sensing in bridge engineering, which is found to have an important potential to complement traditional “single-point” wind observations by sonic anemometers.

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

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.

Computational analysis of nanofluids: A review

NASA Astrophysics Data System (ADS)

Qureshi, M. Zubair Akbar; Ashraf, Muhammad

2018-02-01

Nanofluids and heat transfer enhancement in real systems continue to be a widely research area of nanotechnology. An effort has been made to give a comprehensive review on time-wise development from different aspects of the nanofluids. The exceptional structures of nanofluids, for example, dispersion of nanoparticles volume fraction, thermophoresis phenomenon, Brownian motion, improvement in thermal conductivity, and especially heat transfer enhancement, etc., have been addressed in a mathematical perspective. The influence of important parameters like particle's (loading, material, size and shape-factor), base fluids type, temperature, additives, clustering and p H value has been considered. In addition, the summary-chart is presented for a better understanding of the mathematical structure of the Newtonian as well as non-Newtonian nanofluids. Some important results have been discussed for future work. This review article will be helpful for scientists and researchers.

Quasiparticle self-consistent GW study of cuprates: electronic structure, model parameters, and the two-band theory for Tc.

PubMed

Jang, Seung Woo; Kotani, Takao; Kino, Hiori; Kuroki, Kazuhiko; Han, Myung Joon

2015-07-24

Despite decades of progress, an understanding of unconventional superconductivity still remains elusive. An important open question is about the material dependence of the superconducting properties. Using the quasiparticle self-consistent GW method, we re-examine the electronic structure of copper oxide high-Tc materials. We show that QSGW captures several important features, distinctive from the conventional LDA results. The energy level splitting between d(x(2)-y(2)) and d(3z(2)-r(2)) is significantly enlarged and the van Hove singularity point is lowered. The calculated results compare better than LDA with recent experimental results from resonant inelastic xray scattering and angle resolved photoemission experiments. This agreement with the experiments supports the previously suggested two-band theory for the material dependence of the superconducting transition temperature, Tc.

Effect of synthesis parameters on polymethacrylic acid xerogel structures and equilibrium swelling

NASA Astrophysics Data System (ADS)

Panić, V.; Jovanović, J.; Adnadjević, B.; Velicković, S.

2009-09-01

Hydrogels based on crosslinked polymethacrylic acid were synthesized via free-radical polymerization in aqueous solution, using N,N'-methylene bisacrylamide as a crosslinking agent and 2,2'-azobis-[2-(2-imidazolin-2-yl)propane] dihydrochloride as an initiator. The influence of the reaction parameters (the neutralization degree of methacrylic acid and the initial monomer concentration) on the equilibrium swelling degree, the swelling kinetic parameters and the basic structural properties of xerogels was investigated. The change of synthesis parameters leads to the change of the basic structural parameters of xerogel, as well as the equilibrium swelling degree and the initial swelling rate of the hydrogels. It is found that there are power form relationships between the equilibrium swelling degree, the initial swelling rate and the structural xerogel’s properties and the change of the neutralization degree of monomer, i.e. the monomer concentration. The examined correlations proved that the crosslinking density is the crucial parameter which determines all the other investigated structural and swelling parameters.

Wound construction in manual small incision cataract surgery

PubMed Central

Haldipurkar, S S; Shikari, Hasanain T; Gokhale, Vishwanath

2009-01-01

The basis of manual small incision cataract surgery is the tunnel construction for entry to the anterior chamber. The parameters important for the structural integrity of the tunnel are the self-sealing property of the tunnel, the location of the wound on the sclera with respect to the limbus, and the shape of the wound. Cataract surgery has gone beyond just being a means to get the lens out of the eye. Postoperative astigmatism plays an important role in the evaluation of final outcome of surgery. Astigmatic consideration, hence, forms an integral part of incisional considerations prior to surgery. PMID:19075401

Deep Uncertainties in Sea-Level Rise and Storm Surge Projections: Implications for Coastal Flood Risk Management.

PubMed

Oddo, Perry C; Lee, Ben S; Garner, Gregory G; Srikrishnan, Vivek; Reed, Patrick M; Forest, Chris E; Keller, Klaus

2017-09-05

Sea levels are rising in many areas around the world, posing risks to coastal communities and infrastructures. Strategies for managing these flood risks present decision challenges that require a combination of geophysical, economic, and infrastructure models. Previous studies have broken important new ground on the considerable tensions between the costs of upgrading infrastructure and the damages that could result from extreme flood events. However, many risk-based adaptation strategies remain silent on certain potentially important uncertainties, as well as the tradeoffs between competing objectives. Here, we implement and improve on a classic decision-analytical model (Van Dantzig 1956) to: (i) capture tradeoffs across conflicting stakeholder objectives, (ii) demonstrate the consequences of structural uncertainties in the sea-level rise and storm surge models, and (iii) identify the parametric uncertainties that most strongly influence each objective using global sensitivity analysis. We find that the flood adaptation model produces potentially myopic solutions when formulated using traditional mean-centric decision theory. Moving from a single-objective problem formulation to one with multiobjective tradeoffs dramatically expands the decision space, and highlights the need for compromise solutions to address stakeholder preferences. We find deep structural uncertainties that have large effects on the model outcome, with the storm surge parameters accounting for the greatest impacts. Global sensitivity analysis effectively identifies important parameter interactions that local methods overlook, and that could have critical implications for flood adaptation strategies. © 2017 Society for Risk Analysis.

Electrical Characterization of Semiconductor Materials and Devices

NASA Astrophysics Data System (ADS)

Deen, M.; Pascal, Fabien

Semiconductor materials and devices continue to occupy a preeminent technological position due to their importance when building integrated electronic systems used in a wide range of applications from computers, cell-phones, personal digital assistants, digital cameras and electronic entertainment systems, to electronic instrumentation for medical diagnositics and environmental monitoring. Key ingredients of this technological dominance have been the rapid advances made in the quality and processing of materials - semiconductors, conductors and dielectrics - which have given metal oxide semiconductor device technology its important characteristics of negligible standby power dissipation, good input-output isolation, surface potential control and reliable operation. However, when assessing material quality and device reliability, it is important to have fast, nondestructive, accurate and easy-to-use electrical characterization techniques available, so that important parameters such as carrier doping density, type and mobility of carriers, interface quality, oxide trap density, semiconductor bulk defect density, contact and other parasitic resistances and oxide electrical integrity can be determined. This chapter describes some of the more widely employed and popular techniques that are used to determine these important parameters. The techniques presented in this chapter range in both complexity and test structure requirements from simple current-voltage measurements to more sophisticated low-frequency noise, charge pumping and deep-level transient spectroscopy techniques.

An advanced technique for the prediction of decelerator system dynamics.

NASA Technical Reports Server (NTRS)

Talay, T. A.; Morris, W. D.; Whitlock, C. H.

1973-01-01

An advanced two-body six-degree-of-freedom computer model employing an indeterminate structures approach has been developed for the parachute deployment process. The program determines both vehicular and decelerator responses to aerodynamic and physical property inputs. A better insight into the dynamic processes that occur during parachute deployment has been developed. The model is of value in sensitivity studies to isolate important parameters that affect the vehicular response.

From scale-free to Erdos-Rényi networks.

PubMed

Gómez-Gardeñes, Jesús; Moreno, Yamir

2006-05-01

We analyze a model that interpolates between scale-free and Erdos-Rényi networks. The model introduced generates a one-parameter family of networks and allows one to analyze the role of structural heterogeneity. Analytical calculations are compared with extensive numerical simulations in order to describe the transition between these two important classes of networks. Finally, an application of the proposed model to the study of the percolation transition is presented.

Multiple scales and phases in discrete chains with application to folded proteins

NASA Astrophysics Data System (ADS)

Sinelnikova, A.; Niemi, A. J.; Nilsson, Johan; Ulybyshev, M.

2018-05-01

Chiral heteropolymers such as large globular proteins can simultaneously support multiple length scales. The interplay between the different scales brings about conformational diversity, determines the phase properties of the polymer chain, and governs the structure of the energy landscape. Most importantly, multiple scales produce complex dynamics that enable proteins to sustain live matter. However, at the moment there is incomplete understanding of how to identify and distinguish the various scales that determine the structure and dynamics of a complex protein. Here we address this impending problem. We develop a methodology with the potential to systematically identify different length scales, in the general case of a linear polymer chain. For this we introduce and analyze the properties of an order parameter that can both reveal the presence of different length scales and can also probe the phase structure. We first develop our concepts in the case of chiral homopolymers. We introduce a variant of Kadanoff's block-spin transformation to coarse grain piecewise linear chains, such as the C α backbone of a protein. We derive analytically, and then verify numerically, a number of properties that the order parameter can display, in the case of a chiral polymer chain. In particular, we propose that in the case of a chiral heteropolymer the order parameter can reveal traits of several different phases, contingent on the length scale at which it is scrutinized. We confirm that this is the case with crystallographic protein structures in the Protein Data Bank. Thus our results suggest relations between the scales, the phases, and the complexity of folding pathways.

Seagrass Parameter Affect the Fish Assemblages in Karimunjawa Archipelago

NASA Astrophysics Data System (ADS)

Sri Susilo, Endang; Nugroho Sugianto, Denny; Munasik; Nirwani; Adhi Suryono, Chrisna

2018-02-01

Seagrass beds promote high species diversity, abundance and biomass, and become important habitats for some economically important fishes. Plants of seagrasses result in structurally highly complex habitats and offering feeding grounds, shelter from predation as well as nursery areas for diverse fish assemblages. However, research on fish communities in Southeast Asian seagrass bed is rarely conducted. In the present study fish assemblages in seagrass beds with different parameters (cover, diversity and similarity indices, domination) was investigated in the Karimunjawa Islands, Indonesia. The purpose of this study were to assess whether fish assemblages differ concerning on the abundance and the species number. This study was conducted on the seagrass bed on Karimunjawa Islands in Java Sea, particularly in the water of Menjangan Besar and Menjangan Kecil Island. Line-quadrant transect was used to assess seagrass data, while the occurrence and individual number of fish harboured in the selected seagrass bed was counted by using underwater visual census in the stationary point count transects. Seagrass cover in Menjangan Kecil Island (41%) with various canopy included both upper and lower canopy was considerable higher than those in Menjangan Besar Island (5%). Fish diversity, species composition and abundance are considerably different between the two study sites. This study revealed that seagrass density or cover and canopy structure affected the fish abundance and species number harboured.

Temporal evolution of a seismic sequence induced by a gas injection in the Eastern coast of Spain.

PubMed

Ruiz-Barajas, S; Sharma, N; Convertito, V; Zollo, A; Benito, B

2017-06-06

Induced seismicity associated with energy production is becoming an increasingly important issue worldwide for the hazard it poses to the exposed population and structures. We analyze one of the rare cases of induced seismicity associated with the underwater gas storage operations observed in the Castor platform, located in the Valencia gulf, east Spain, near a complex and important geological structure. In September 2013, some gas injection operations started at Castor, producing a series of seismic events around the reservoir area. The larger magnitude events (up to 4.2) took place some days after the end of the injection, with EMS intensities in coastal towns up to degree III. In this work, the seismic sequence is analyzed with the aim of detecting changes in statistical parameters describing the earthquake occurrence before and after the injection and identifying possible proxies to be used for monitoring the sequence evolution. Moreover, we explore the potential predictability of these statistical parameters which can be used to control the field operations in injection/storage fluid reservoirs. We firstly perform a retrospective approach and next a perspective analysis. We use different techniques for estimating the value of the expected maximum magnitude that can occur due to antropogenic activities in Castor.

Distributed Evaluation of Local Sensitivity Analysis (DELSA), with application to hydrologic models

USGS Publications Warehouse

Rakovec, O.; Hill, Mary C.; Clark, M.P.; Weerts, A. H.; Teuling, A. J.; Uijlenhoet, R.

2014-01-01

This paper presents a hybrid local-global sensitivity analysis method termed the Distributed Evaluation of Local Sensitivity Analysis (DELSA), which is used here to identify important and unimportant parameters and evaluate how model parameter importance changes as parameter values change. DELSA uses derivative-based “local” methods to obtain the distribution of parameter sensitivity across the parameter space, which promotes consideration of sensitivity analysis results in the context of simulated dynamics. This work presents DELSA, discusses how it relates to existing methods, and uses two hydrologic test cases to compare its performance with the popular global, variance-based Sobol' method. The first test case is a simple nonlinear reservoir model with two parameters. The second test case involves five alternative “bucket-style” hydrologic models with up to 14 parameters applied to a medium-sized catchment (200 km2) in the Belgian Ardennes. Results show that in both examples, Sobol' and DELSA identify similar important and unimportant parameters, with DELSA enabling more detailed insight at much lower computational cost. For example, in the real-world problem the time delay in runoff is the most important parameter in all models, but DELSA shows that for about 20% of parameter sets it is not important at all and alternative mechanisms and parameters dominate. Moreover, the time delay was identified as important in regions producing poor model fits, whereas other parameters were identified as more important in regions of the parameter space producing better model fits. The ability to understand how parameter importance varies through parameter space is critical to inform decisions about, for example, additional data collection and model development. The ability to perform such analyses with modest computational requirements provides exciting opportunities to evaluate complicated models as well as many alternative models.

Solving cross-disciplinary problems by mathematical modelling

NASA Astrophysics Data System (ADS)

Panfilov, D. A.; Romanchikov, V. V.; Krupin, K. N.

2018-03-01

The article deals with the creation of a human tibia 3D model by means of “Autodesk Revit-2016” PC based on tomogram data. The model was imported into “Lira- SAPR2013 R4” software system. To assess the possibility of education and the nature of bone fracture (and their visualization), the Finite Element Analysis (FEA) method was used. The geometric parameters of the BBK model corresponded to the physical parameters of the individual. The compact plate different thickness is modeled by rigidity properties of the finite elements in accordance with the parameters on the roentgenogram. The BBK model included parameters of the outer compact plate and the spongy substance having a more developed structure of the epiphysic region. In the “Lira-SAPR2013 R4” software system, mathematical modeling of the traumatic effect was carried out and the analysis of the stress-strain state of the finite element model of the tibia was made to assess fracture conditions.

A model for hormonal control of the menstrual cycle: structural consistency but sensitivity with regard to data.

PubMed

Selgrade, J F; Harris, L A; Pasteur, R D

2009-10-21

This study presents a 13-dimensional system of delayed differential equations which predicts serum concentrations of five hormones important for regulation of the menstrual cycle. Parameters for the system are fit to two different data sets for normally cycling women. For these best fit parameter sets, model simulations agree well with the two different data sets but one model also has an abnormal stable periodic solution, which may represent polycystic ovarian syndrome. This abnormal cycle occurs for the model in which the normal cycle has estradiol levels at the high end of the normal range. Differences in model behavior are explained by studying hysteresis curves in bifurcation diagrams with respect to sensitive model parameters. For instance, one sensitive parameter is indicative of the estradiol concentration that promotes pituitary synthesis of a large amount of luteinizing hormone, which is required for ovulation. Also, it is observed that models with greater early follicular growth rates may have a greater risk of cycling abnormally.

GOSSIP: a method for fast and accurate global alignment of protein structures.

PubMed

Kifer, I; Nussinov, R; Wolfson, H J

2011-04-01

The database of known protein structures (PDB) is increasing rapidly. This results in a growing need for methods that can cope with the vast amount of structural data. To analyze the accumulating data, it is important to have a fast tool for identifying similar structures and clustering them by structural resemblance. Several excellent tools have been developed for the comparison of protein structures. These usually address the task of local structure alignment, an important yet computationally intensive problem due to its complexity. It is difficult to use such tools for comparing a large number of structures to each other at a reasonable time. Here we present GOSSIP, a novel method for a global all-against-all alignment of any set of protein structures. The method detects similarities between structures down to a certain cutoff (a parameter of the program), hence allowing it to detect similar structures at a much higher speed than local structure alignment methods. GOSSIP compares many structures in times which are several orders of magnitude faster than well-known available structure alignment servers, and it is also faster than a database scanning method. We evaluate GOSSIP both on a dataset of short structural fragments and on two large sequence-diverse structural benchmarks. Our conclusions are that for a threshold of 0.6 and above, the speed of GOSSIP is obtained with no compromise of the accuracy of the alignments or of the number of detected global similarities. A server, as well as an executable for download, are available at http://bioinfo3d.cs.tau.ac.il/gossip/.

Amylopectin molecular structure in relation to physicochemical properties of quinoa starch.

PubMed

Li, Guantian; Zhu, Fan

2017-05-15

Structure-function relationships of starch components remain a subject of research interest. Quinoa starch has very small granules (∼2μm) with unique properties. In this study, nine quinoa starches varied greatly in composition, structure, and physicochemical properties were selected for the analysis of structure-function relationships. Pearson correlation analysis revealed that the properties related to gelatinization such as swelling power, water solubility index, crystallinity, pasting, and thermal properties are much affected by the amylopectin chain profile and amylose content. The parameters of gel texture and amylose leaching are much related to amylopectin internal structure. Other properties such as enzyme susceptibility and particle size distribution are also strongly correlated with starch composition and amylopectin structure. Interesting findings indicate the importance of amylopectin internal structure and individual unit chain profile in determining the physicochemical properties of starch. This work highlights some relationships among composition, amylopectin structure and physicochemical properties of quinoa starch. Copyright © 2017 Elsevier Ltd. All rights reserved.

Acoustical Studies of L-leucine and L-asparagine in aqueous electrolyte through thermal expansion coefficient

NASA Astrophysics Data System (ADS)

Jajodia, S.; Chimankar, O. P.; Kalambe, A.; Goswami, S. G.

2012-12-01

Amino acids are the building blocks of the proteins; their study provides important information, about the behaviour of larger biomolecules such as proteins. The properties of proteins such as their structure, solubility, denaturation, etc. are greatly influenced by electrolytes. Ultrasonic velocity and density values have been used for evaluation of thermal expansion coefficient and adiabatic compressibility for ternary systems (amino acid/salt + water) namely L-leucine / L-asparagine each in 1.5 M aqueous solution of NaCl used as solvent for various concentrations and at different temperatures (298.15K - 323.15K). Present paper reports the variation of various thermoacoustical parameters such as Moelwyn-Hughes parameter (C1), Beyer's non-linearity parameter (B/A), internal pressure (Pi), fractional free volume (f), available volume (Va), repulsive exponent (n), molecular constant (r), van der Waals' constant (b), Debye temperatue (θD), etc. have been computed from the thermal expansion coefficient with the change of concentration and temperature. The variations of all these parameters have been interpreted in terms of various intermolecular interactions such as strong, weak, charge transfer, complex formation, hydrogen bonding interaction. The structure making and breaking properties of the interacting components existing in proposed ternary systems. It shows the associating and dissociating tendency of the molecules of solute in solvent.The hetromolecular interactions are present in both the ternary systems.

The RNA Newton polytope and learnability of energy parameters.

PubMed

Forouzmand, Elmirasadat; Chitsaz, Hamidreza

2013-07-01

Computational RNA structure prediction is a mature important problem that has received a new wave of attention with the discovery of regulatory non-coding RNAs and the advent of high-throughput transcriptome sequencing. Despite nearly two score years of research on RNA secondary structure and RNA-RNA interaction prediction, the accuracy of the state-of-the-art algorithms are still far from satisfactory. So far, researchers have proposed increasingly complex energy models and improved parameter estimation methods, experimental and/or computational, in anticipation of endowing their methods with enough power to solve the problem. The output has disappointingly been only modest improvements, not matching the expectations. Even recent massively featured machine learning approaches were not able to break the barrier. Why is that? The first step toward high-accuracy structure prediction is to pick an energy model that is inherently capable of predicting each and every one of known structures to date. In this article, we introduce the notion of learnability of the parameters of an energy model as a measure of such an inherent capability. We say that the parameters of an energy model are learnable iff there exists at least one set of such parameters that renders every known RNA structure to date the minimum free energy structure. We derive a necessary condition for the learnability and give a dynamic programming algorithm to assess it. Our algorithm computes the convex hull of the feature vectors of all feasible structures in the ensemble of a given input sequence. Interestingly, that convex hull coincides with the Newton polytope of the partition function as a polynomial in energy parameters. To the best of our knowledge, this is the first approach toward computing the RNA Newton polytope and a systematic assessment of the inherent capabilities of an energy model. The worst case complexity of our algorithm is exponential in the number of features. However, dimensionality reduction techniques can provide approximate solutions to avoid the curse of dimensionality. We demonstrated the application of our theory to a simple energy model consisting of a weighted count of A-U, C-G and G-U base pairs. Our results show that this simple energy model satisfies the necessary condition for more than half of the input unpseudoknotted sequence-structure pairs (55%) chosen from the RNA STRAND v2.0 database and severely violates the condition for ~ 13%, which provide a set of hard cases that require further investigation. From 1350 RNA strands, the observed 3D feature vector for 749 strands is on the surface of the computed polytope. For 289 RNA strands, the observed feature vector is not on the boundary of the polytope but its distance from the boundary is not more than one. A distance of one essentially means one base pair difference between the observed structure and the closest point on the boundary of the polytope, which need not be the feature vector of a structure. For 171 sequences, this distance is larger than two, and for only 11 sequences, this distance is larger than five. The source code is available on http://compbio.cs.wayne.edu/software/rna-newton-polytope.

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.

Determining the folding and unfolding rate constants of nucleic acids by biosensor. Application to telomere G-quadruplex.

PubMed

Zhao, Yong; Kan, Zhong-yuan; Zeng, Zhi-xiong; Hao, Yu-hua; Chen, Hua; Tan, Zheng

2004-10-20

Nucleic acid molecules may fold into secondary structures, and the formation of such structures is involved in many biological processes and technical applications. The folding and unfolding rate constants define the kinetics of conformation interconversion and the stability of these structures and is important in realizing their functions. We developed a method to determine these kinetic parameters using an optical biosensor based on surface plasmon resonance. The folding and unfolding of a nucleic acid is coupled with a hybridization reaction by immobilization of the target nucleic acid on a sensor chip surface and injection of a complementary probe nucleic acid over the sensor chip surface. By monitoring the time course of duplex formation, both the folding and unfolding rate constants for the target nucleic acid and the association and dissociation rate constants for the target-probe duplex can all be derived from the same measurement. We applied this method to determine the folding and unfolding rate constants of the G-quadruplex of human telomere sequence (TTAGGG)(4) and its association and dissociation rate constants with the complementary strand (CCCTAA)(4). The results show that both the folding and unfolding occur on the time scale of minutes at physiological concentration of K(+). We speculate that this property might be important for telomere elongation. A complete set of the kinetic parameters for both of the structures allows us to study the competition between the formation of the quadruplex and the duplex. Calculations indicate that the formation of both the quadruplex and the duplex is strand concentration-dependent, and the quadruplex can be efficiently formed at low strand concentration. This property may provide the basis for the formation of the quadruplex in vivo in the presence of a complementary strand.

A computational fluid dynamics modeling study of guide walls for downstream fish passage

USGS Publications Warehouse

Mulligan, Kevin; Towler, Brett; Haro, Alexander J.; Ahlfeld, David P.

2017-01-01

A partial-depth, impermeable guidance structure (or guide wall) for downstream fish passage is typically constructed as a series of panels attached to a floating boom and anchored across a water body (e.g. river channel, reservoir, or power canal). The downstream terminus of the wall is generally located nearby to a fish bypass structure. If guidance is successful, the fish will avoid entrainment in a dangerous intake structure (i.e. turbine intakes) while passing from the headpond to the tailwater of a hydroelectric facility through a safer passage route (i.e. the bypass). The goal of this study is to determine the combination of guide wall design parameters that will most likely increase the chance of surface-oriented fish being successfully guided to the bypass. To evaluate the flow field immediately upstream of a guide wall, a parameterized computational fluid dynamics model of an idealized power canal was constructed in © ANSYS Fluent v 14.5 (ANSYS Inc., 2012). The design parameters investigated were the angle and depth of the guide wall and the average approach velocity in the power canal. Results call attention to the importance of the downward to sweeping flow ratio and demonstrate how a change in guide wall depth and angle can affect this important hydraulic cue to out-migrating fish. The key findings indicate that a guide wall set at a small angle (15° is the minimum in this study) and deep enough such that sweeping flow dominant conditions prevail within the expected vertical distribution of fish approaching the structure will produce hydraulic conditions that are more likely to result in effective passage.

Mixture models for protein structure ensembles.

PubMed

Hirsch, Michael; Habeck, Michael

2008-10-01

Protein structure ensembles provide important insight into the dynamics and function of a protein and contain information that is not captured with a single static structure. However, it is not clear a priori to what extent the variability within an ensemble is caused by internal structural changes. Additional variability results from overall translations and rotations of the molecule. And most experimental data do not provide information to relate the structures to a common reference frame. To report meaningful values of intrinsic dynamics, structural precision, conformational entropy, etc., it is therefore important to disentangle local from global conformational heterogeneity. We consider the task of disentangling local from global heterogeneity as an inference problem. We use probabilistic methods to infer from the protein ensemble missing information on reference frames and stable conformational sub-states. To this end, we model a protein ensemble as a mixture of Gaussian probability distributions of either entire conformations or structural segments. We learn these models from a protein ensemble using the expectation-maximization algorithm. Our first model can be used to find multiple conformers in a structure ensemble. The second model partitions the protein chain into locally stable structural segments or core elements and less structured regions typically found in loops. Both models are simple to implement and contain only a single free parameter: the number of conformers or structural segments. Our models can be used to analyse experimental ensembles, molecular dynamics trajectories and conformational change in proteins. The Python source code for protein ensemble analysis is available from the authors upon request.

Hematological, biochemical effects, and self-reported symptoms in pesticide retailers.

PubMed

Rojas-García, Aurora Elizabeth; Medina-Díaz, Irma Martha; Robledo-Marenco, María de Lourdes; Barrón-Vivanco, Briscia Socorro; Girón-Pérez, Manuel Iván; Velázquez-Fernández, Jesús Bernardino; González-Arias, Cyndia Azucena; Albores-Medina, Arnulfo; Quintanilla-Vega, Betzabet; Ostrosky-Wegman, Patricia; Rojas-García, María Consuelo; Pérez-Herrera, Norma Elena; López-Flores, Juan Fernando

2011-05-01

This study evaluates the effects of exposure to pesticides on the health of pesticide retailers. The study population comprised 83-male pesticide retailers and 98 controls. Serum butyrylcholinesterase levels and complete blood analysis were performed in a certified laboratory and each subject completed a structured questionnaire. Butyrylcholinesterase activity and hematological parameters such as hemoglobin and hematocrit were significantly lower in pesticide retailers than in control subjects. In contrast, platelet count as well as hepatic parameters such as glutamic-pyruvate transaminase and gamma-glutamyl transpeptidase activities was higher in pesticide retailers. Furthermore, pesticide retailers experienced burning sensations in the skin more frequently than controls. These preliminary results suggest the importance of evaluating further toxicological biomarkers in these populations.

High Resolution Infrared Spectroscopy of Molecules of Terrestrial and Planetary Interest

NASA Technical Reports Server (NTRS)

Freedman, Richard S.

2001-01-01

In collaboration with the laboratory spectroscopy group of the Ames Atmospheric Physics Research Branch (SGP), high resolution infrared spectra of molecules that are of importance for the dynamics of the earth's and other planets' atmospheres were acquired using the SGP high resolution Fourier transform spectrometer and gas handling apparatus. That data, along with data acquired using similar instrumentation at the Kitt Peak National Observatory was analyzed to determine the spectral parameters for each of the rotationally resolved transitions for each molecule. Those parameters were incorporated into existing international databases (e.g. HITRANS and GEISA) so that field measurements could be converted into quantitative information regarding the physical and chemical structures of earth and planetary atmospheres.

Evidences for dry deintercalation in layered compounds upon controlled surface charging in x-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Feldman, Y.; Zak, A.; Tenne, R.; Cohen, H.

2003-09-01

Pronounced surface diffusion is observed during x-ray photoelectron spectroscopy measurements of 2H platelets and inorganic fullerene-like (IF) MS2 (M=W,Mo) powders, intercalated with alkaline (A=K,Na) elements. Using controlled surface charging the intercalants migrate towards the surface, where they oxidize. This dry deintercalation is controllable via external charging parameters, yet showing that internal chemical and structural parameters play an important role in the process. Diffusion rates out of 2H matrixes are generally higher than in corresponding IF samples. Clear differences are also found between Mo and W-based systems. Application of this approach into surface modification and processing is proposed.

Crystallographic Characterization of Extraterrestrial Materials by Energy-Scanning X-ray Diffraction

NASA Technical Reports Server (NTRS)

Hagiya, Kenji; Mikouchi, Takashi; Ohsumi, Kazumasa; Terada, Yasuko; Yagi, Naoto; Komatsu, Mutsumi; Yamaguchi, Shoki; Hirata, Arashi; Kurokawa, Ayaka; Zolensky, Michael E. (Principal Investigator)

2016-01-01

We have continued our long-term project using X-ray diffraction to characterize a wide range of extraterrestrial samples. The stationary sample method with polychromatic X-rays is advantageous because the irradiated area of the sample is always same and fixed, meaning that all diffraction spots occur from the same area of the sample, however, unit cell parameters cannot be directly obtained by this method though they are very important for identification of mineral and for determination of crystal structures. In order to obtain the cell parameters even in the case of the sample stationary method, we apply energy scanning of a micro-beam of monochromatic SR at SPring-8.

Effect of UV light on different structural and transport parameters of cellophane membranes

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

Benavente, J.; Vazquez, M.I.; De Abajo, J.

1996-01-01

A comparative study of UV light influence on structural and transport parameters of cellophane membranes was made. Changes in the chemical structure and electrical behavior of cellophane membranes were considered by determining the hydraulic permeability, salt diffusion coefficient, and resistance values, as well as some geometrical parameters, for an untreated membrane and two differently UV-treated cellophane membranes. Differences in the characteristic parameters for the three samples showed that radiation mainly affected the membrane structure, while only small changes in membrane electrical behavior were determined.

Investigation on sense of control parameters for joystick interface in remote operated container crane application

NASA Astrophysics Data System (ADS)

Abdullah, U. N. N.; Handroos, H.

2017-09-01

Introduction: This paper presents the study of sense of control parameters to improve the lack of direct motion feeling through remote operated container crane station (ROCCS) joystick interface. The investigations of the parameters in this study are important to develop the engineering parameters related to the sense of control goal in the next design process. Methodology: Structured interviews and observations were conducted to obtain the user experience data from thirteen remote container crane operators from two international terminals. Then, interview analysis, task analysis, activity analysis and time line analysis were conducted to compare and contrast the results from interviews and observations. Results: Four experience parameters were identified to support the sense of control goal in the later design improvement of the ROCC joystick interface. The significance of difficulties to control, unsynchronized movements, facilitate in control and decision making in unexpected situation as parameters to the sense of control goal were validated by' feedbacks from operators as well as analysis. Contribution: This study provides feedback directly from end users towards developing a sustainable control interface for ROCCS in specific and remote operated off-road vehicles in general.

Preliminary structural design of a lunar transfer vehicle aerobrake. M.S. Thesis

NASA Technical Reports Server (NTRS)

Bush, Lance B.

1992-01-01

An aerobrake concept for a Lunar transfer vehicle was weight optimized through the use of the Taguchi design method, structural finite element analyses and structural sizing routines. Six design parameters were chosen to represent the aerobrake structural configuration. The design parameters included honeycomb core thickness, diameter to depth ratio, shape, material, number of concentric ring frames, and number of radial frames. Each parameter was assigned three levels. The minimum weight aerobrake configuration resulting from the study was approx. half the weight of the average of all twenty seven experimental configurations. The parameters having the most significant impact on the aerobrake structural weight were identified.

Toothpaste lava: Characteristics and origin of a lava structural type transitional between pahoehoe and aa

NASA Astrophysics Data System (ADS)

Rowland, Scott K.; Walker, George P. L.

1987-08-01

Toothpaste lava, an important basalt structural type which illustrates the transition from pahoehoe to aa, is particularly well displayed on the 1960 Kapoho lava of Kilauea Volcano. Its transitional features stem from a viscosity higher than that of pahoehoe and a rate of flow slower than that of aa. Viscosity can be quantified by the limited settling of olivine phenocrysts and rate of flow by field observations related to the low-angle slope on which the lava flowed. Much can be learned about the viscosity, rheologic condition, and flow velocity of lavas long after solidification by analyses of their structural characteristics, and it is possible to make at least a semiquantitative assessment of the numerical values of these parameters.

Growth and structure of the World Wide Web: Towards realistic modeling

NASA Astrophysics Data System (ADS)

Tadić, Bosiljka

2002-08-01

We simulate evolution of the World Wide Web from the dynamic rules incorporating growth, bias attachment, and rewiring. We show that the emergent double-hierarchical structure with distinct distributions of out- and in-links is comparable with the observed empirical data when the control parameter (average graph flexibility β) is kept in the range β=3-4. We then explore the Web graph by simulating (a) Web crawling to determine size and depth of connected components, and (b) a random walker that discovers the structure of connected subgraphs with dominant attractor and promoter nodes. A random walker that adapts its move strategy to mimic local node linking preferences is shown to have a short access time to "important" nodes on the Web graph.

Origami structures for tunable thermal expansion

NASA Astrophysics Data System (ADS)

Boatti, Elisa; Bertoldi, Katia

Materials with engineered thermal expansion, capable of achieving targeted and extreme area/volume changes in response to variations in temperature, are important for a number of aerospace, optical, energy, and microelectronic applications. While most of the proposed structures with tunable coefficient of thermal expansion consist of bi-material 2D or 3D lattices, here we propose a periodic metastructure based on a bilayer Miura-Ori origami fold. We combine experiments and simulations to demonstrate that by tuning the geometrical and mechanical parameters an extremely broad range of thermal expansion coefficients can be obtained, spanning both negative and positive values. Additionally, the thermal properties along different directions can be adjusted independently. Differently from all previously reported systems, the proposed structure is non-porous.

Structural analysis of the coordination of dinitrogen to transition metal complexes.

PubMed

Peigné, Benjamin; Aullón, Gabriel

2015-06-01

Transition-metal complexes show a wide variety of coordination modes for the nitrogen molecule. A structural database study has been undertaken for dinitrogen complexes, and geometrical parameters around the L(n)M-N2 unit are retrieved from the Cambridge Structural Database. These data were classified in families of compounds, according to metal properties, to determine the degree of lengthening for the dinitrogen bonding. The importance of the nature of the metal center, such as coordination number and electronic configuration, is reported. Our study reveals poor activation by coordination of dinitrogen in mononuclear complexes, always having end-on coordination. However, partial weakening of nitrogen-nitrogen bonding is found for end-on binuclear complexes, whereas side-on complexes can be completely activated.

Parameter and Structure Inference for Nonlinear Dynamical Systems

NASA Technical Reports Server (NTRS)

Morris, Robin D.; Smelyanskiy, Vadim N.; Millonas, Mark

2006-01-01

A great many systems can be modeled in the non-linear dynamical systems framework, as x = f(x) + xi(t), where f() is the potential function for the system, and xi is the excitation noise. Modeling the potential using a set of basis functions, we derive the posterior for the basis coefficients. A more challenging problem is to determine the set of basis functions that are required to model a particular system. We show that using the Bayesian Information Criteria (BIC) to rank models, and the beam search technique, that we can accurately determine the structure of simple non-linear dynamical system models, and the structure of the coupling between non-linear dynamical systems where the individual systems are known. This last case has important ecological applications.

Tuning the effective parameters in (Ta/Cu/[Ni/Co]x/Ta) multilayers with perpendicular magnetic anisotropy

NASA Astrophysics Data System (ADS)

Ayareh, Zohreh; Moradi, Mehrdad; Mahmoodi, Saman

2018-06-01

In this paper, we report perpendicular magnetic anisotropy (PMA) in a (Ta/Cu/[Ni/Co]x/Ta) multilayers structure. These typical structures usually include a multilayer of ferromagnetic and transition metal thin films. Usually, magnetic anisotropy is characterized by magnetization loops determined by magnetometer or magneto-optical Kerr effect (MOKE). The interface between ferromagnetic and metallic layers plays an important role in magnetic anisotropy evolution from out-of-plane to in-plane in (Ta/Cu/[Ni/Co]/Ta) structure. Obtained results from MOKE and magnetometry of these samples show that they have different easy axes due to change in thickness of Cu as spacer layer and difference in number of repetition of [Ni/Co] stacks.

Selection of suitable NDT methods for building inspection

NASA Astrophysics Data System (ADS)

Pauzi Ismail, Mohamad

2017-11-01

Construction of modern structures requires good quality concrete with adequate strength and durability. Several accidents occurred in the civil constructions and were reported in the media. Such accidents were due to poor workmanship and lack of systematic monitoring during the constructions. In addition, water leaking and cracking in residential houses was commonly reported too. Based on these facts, monitoring the quality of concrete in structures is becoming more and more important subject. This paper describes major Non-destructive Testing (NDT) methods for evaluating structural integrity of concrete building. Some interesting findings during actual NDT inspections on site are presented. The NDT methods used are explained, compared and discussed. The suitable methods are suggested as minimum NDT methods to cover parameters required in the inspection.

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.

Moored offshore structures - evaluation of forces in elastic mooring lines

NASA Astrophysics Data System (ADS)

Crudu, L.; Obreja, D. C.; Marcu, O.

2016-08-01

In most situations, the high frequency motions of the floating structure induce important effects in the mooring lines which affect also the motions of the structure. The experience accumulated during systematic experimental tests and calculations, carried out for different moored floating structures, showed a complex influence of various parameters on the dynamic effects. Therefore, it was considered that a systematic investigation is necessary. Due to the complexity of hydrodynamics aspects of offshore structures behaviour, experimental tests are practically compulsory in order to be able to properly evaluate and then to validate their behaviour in real sea. Moreover the necessity to carry out hydrodynamic tests is often required by customers, classification societies and other regulatory bodies. Consequently, the correct simulation of physical properties of the complex scaled models becomes a very important issue. The paper is investigating such kind of problems identifying the possible simplification, generating different approaches. One of the bases of the evaluation has been found consideringtheresults of systematic experimental tests on the dynamic behaviour of a mooring chain reproduced at five different scales. Dynamic effects as well as the influences of the elasticity simulation for 5 different scales are evaluated together. The paper presents systematic diagrams and practical results for a typical moored floating structure operating as pipe layer based on motion evaluations and accelerations in waves.

Time- and sediment depth-related variations in bacterial diversity and community structure in subtidal sands.

PubMed

Böer, Simone I; Hedtkamp, Stefanie I C; van Beusekom, Justus E E; Fuhrman, Jed A; Boetius, Antje; Ramette, Alban

2009-07-01

Bacterial community structure and microbial activity were determined together with a large number of contextual environmental parameters over 2 years in subtidal sands of the German Wadden Sea in order to identify the main factors shaping microbial community structure and activity in this habitat. Seasonal changes in temperature were directly reflected in bacterial activities and total community respiration, but could not explain variations in the community structure. Strong sediment depth-related patterns were observed for bacterial abundances, carbon production rates and extracellular enzymatic activities. Bacterial community structure also showed a clear vertical variation with higher operational taxonomic unit (OTU) numbers at 10-15 cm depth than in the top 10 cm, probably because of the decreasing disturbance by hydrodynamic forces with sediment depth. The depth-related variations in bacterial community structure could be attributed to vertical changes in bacterial abundances, chlorophyll a and NO(3)(-), indicating that spatial patterns of microbes are partially environmentally controlled. Time was the most important single factor affecting microbial community structure with an OTU replacement of up to 47% over 2 years and a contribution of 34% to the total variation. A large part of this variation was not related to any environmental parameters, suggesting that temporal variations in bacterial community structure are caused by yet unknown environmental drivers and/or by stochastic events in coastal sand habitats. Principal ecosystem functions such as benthic oxygen consumption and extracellular hydrolysis of organic matter were, however, at a high level at all times, indicating functional redundancy in the microbial communities.

Combined structures-controls optimization of lattice trusses

NASA Technical Reports Server (NTRS)

Balakrishnan, A. V.

1991-01-01

The role that distributed parameter model can play in CSI is demonstrated, in particular in combined structures controls optimization problems of importance in preliminary design. Closed form solutions can be obtained for performance criteria such as rms attitude error, making possible analytical solutions of the optimization problem. This is in contrast to the need for numerical computer solution involving the inversion of large matrices in traditional finite element model (FEM) use. Another advantage of the analytic solution is that it can provide much needed insight into phenomena that can otherwise be obscured or difficult to discern from numerical computer results. As a compromise in level of complexity between a toy lab model and a real space structure, the lattice truss used in the EPS (Earth Pointing Satellite) was chosen. The optimization problem chosen is a generic one: of minimizing the structure mass subject to a specified stability margin and to a specified upper bond on the rms attitude error, using a co-located controller and sensors. Standard FEM treating each bar as a truss element is used, while the continuum model is anisotropic Timoshenko beam model. Performance criteria are derived for each model, except that for the distributed parameter model, explicit closed form solutions was obtained. Numerical results obtained by the two model show complete agreement.

Determination of CME 3D parameters based on a new full ice-cream cone model

NASA Astrophysics Data System (ADS)

Na, Hyeonock; Moon, Yong-Jae

2017-08-01

In space weather forecast, it is important to determine three-dimensional properties of CMEs. Using 29 limb CMEs, we examine which cone type is close to a CME three-dimensional structure. We find that most CMEs have near full ice-cream cone structure which is a symmetrical circular cone combined with a hemisphere. We develop a full ice-cream cone model based on a new methodology that the full ice-cream cone consists of many flat cones with different heights and angular widths. By applying this model to 12 SOHO/LASCO halo CMEs, we find that 3D parameters from our method are similar to those from other stereoscopic methods (i.e., a triangulation method and a Graduated Cylindrical Shell model). In addition, we derive CME mean density (ρmean=Mtotal/Vcone) based on the full ice-cream cone structure. For several limb events, we determine CME mass by applying the Solarsoft procedure (e.g., cme_mass.pro) to SOHO/LASCO C3 images. CME volumes are estimated from the full ice-cream cone structure. From the power-law relationship between CME mean density and its height, we estimate CME mean densities at 20 solar radii (Rs). We will compare the CME densities at 20 Rs with their corresponding ICME densities.

Evaluation of Heating Methods for Thermal Structural Testing of Large Structures

NASA Technical Reports Server (NTRS)

Daryabeigi, Kamran; Sikora, Joseph G.; Caldwell, Darrell L., Jr.

1998-01-01

An experimental study was conducted to evaluate different heating methods for thermal structural testing of large scale structures at temperatures up to 350 F as part of the High Speed Research program. The heating techniques evaluated included: radiative/convective, forced convective, and conductive. The radiative/convective heaters included finned strip heaters, and clear and frosted quartz lamps. The forced convective heating was accomplished by closed loop circulation of heated air. The conductive heater consisted of heating blankets. The tests were conducted on an 1/8 inch thick stainless steel plate in a custom-built oven. The criteria used for comparing the different heating methods included test specimen temperature uniformity, heater response time, and consumed power. The parameters investigated included air circulation in the oven, reflectance of oven walls, and the orientation of the test specimen and heaters (vertical and horizontal). It was found that reflectance of oven walls was not an important parameter. Air circulation was necessary to obtain uniform temperatures only for the vertically oriented specimen. Heating blankets provided unacceptably high temperature non-uniformities. Quartz lamps with internal air circulation had the lowest power consumption levels. Using frosted quartz lamps with closed loop circulation of cool air, and closed loop circulation of heated air provided the fastest response time.

Structural, optoelectronic, and thermoelectric properties of AZn13 (A=Na, K, Ca, Sr, Ba) compounds

NASA Astrophysics Data System (ADS)

Basit, Abdul; Murtaza, G.; Mahmood, Asif; Yar, Abdullah; Muhammad, S.

2016-08-01

We report the structural, electronic, optical, and thermoelectric properties of the five cubic alkali-earth transition-metals AZn13 (A-Na, K, Ca, Sr, Ba) using density functional theory. Structural properties, electronic structures and optical behaviors are calculated explicitly via highly accurate contemporary full potential-linearized augmented plane wave (FP-LAPW) method. The investigated ground state data of these materials is quite close to the experimental information. The modified Becke-Johnson (mBJ) predicts the intermetallic nature of AZn13 (A-Na, K, Ca, Sr, Ba) materials. The complex dielectric function of these intermetallic compounds has been calculated and the observed noticeable peaks are examined through mBJ. With the help of complex dielectric function, the other important optical parameters like reflectivities, conductivities and refractive indices of AZn13 (A-Na, K, Ca, Sr, Ba) have been calculated as a function of energy. The optical response suggests that AZn13 (A-Na, K, Ca, Sr, Ba) compounds can be used for the optoelectronic devices. Further, the thermoelectric properties have been calculated through BoltzTraP program, the calculated values for different thermoelectric parameters recommend that these AZn13 (A-Na, K, Ca, Sr, Ba) materials are the suitable candidates for thermoelectric applications.

Aeroelastic Model Structure Computation for Envelope Expansion

NASA Technical Reports Server (NTRS)

Kukreja, Sunil L.

2007-01-01

Structure detection is a procedure for selecting a subset of candidate terms, from a full model description, that best describes the observed output. This is a necessary procedure to compute an efficient system description which may afford greater insight into the functionality of the system or a simpler controller design. Structure computation as a tool for black-box modeling may be of critical importance in the development of robust, parsimonious models for the flight-test community. Moreover, this approach may lead to efficient strategies for rapid envelope expansion that may save significant development time and costs. In this study, a least absolute shrinkage and selection operator (LASSO) technique is investigated for computing efficient model descriptions of non-linear aeroelastic systems. The LASSO minimises the residual sum of squares with the addition of an l(Sub 1) penalty term on the parameter vector of the traditional l(sub 2) minimisation problem. Its use for structure detection is a natural extension of this constrained minimisation approach to pseudo-linear regression problems which produces some model parameters that are exactly zero and, therefore, yields a parsimonious system description. Applicability of this technique for model structure computation for the F/A-18 (McDonnell Douglas, now The Boeing Company, Chicago, Illinois) Active Aeroelastic Wing project using flight test data is shown for several flight conditions (Mach numbers) by identifying a parsimonious system description with a high percent fit for cross-validated data.

Mode extraction on wind turbine blades via phase-based video motion estimation

NASA Astrophysics Data System (ADS)

Sarrafi, Aral; Poozesh, Peyman; Niezrecki, Christopher; Mao, Zhu

2017-04-01

In recent years, image processing techniques are being applied more often for structural dynamics identification, characterization, and structural health monitoring. Although as a non-contact and full-field measurement method, image processing still has a long way to go to outperform other conventional sensing instruments (i.e. accelerometers, strain gauges, laser vibrometers, etc.,). However, the technologies associated with image processing are developing rapidly and gaining more attention in a variety of engineering applications including structural dynamics identification and modal analysis. Among numerous motion estimation and image-processing methods, phase-based video motion estimation is considered as one of the most efficient methods regarding computation consumption and noise robustness. In this paper, phase-based video motion estimation is adopted for structural dynamics characterization on a 2.3-meter long Skystream wind turbine blade, and the modal parameters (natural frequencies, operating deflection shapes) are extracted. Phase-based video processing adopted in this paper provides reliable full-field 2-D motion information, which is beneficial for manufacturing certification and model updating at the design stage. The phase-based video motion estimation approach is demonstrated through processing data on a full-scale commercial structure (i.e. a wind turbine blade) with complex geometry and properties, and the results obtained have a good correlation with the modal parameters extracted from accelerometer measurements, especially for the first four bending modes, which have significant importance in blade characterization.

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.

Combined loading criterial influence on structural performance

NASA Technical Reports Server (NTRS)

Kuchta, B. J.; Sealey, D. M.; Howell, L. J.

1972-01-01

An investigation was conducted to determine the influence of combined loading criteria on the space shuttle structural performance. The study consisted of four primary phases: Phase (1) The determination of the sensitivity of structural weight to various loading parameters associated with the space shuttle. Phase (2) The determination of the sensitivity of structural weight to various levels of loading parameter variability and probability. Phase (3) The determination of shuttle mission loading parameters variability and probability as a function of design evolution and the identification of those loading parameters where inadequate data exists. Phase (4) The determination of rational methods of combining both deterministic time varying and probabilistic loading parameters to provide realistic design criteria. The study results are presented.

Manipulation of cells' position across a microfluidic channel using a series of continuously varying herringbone structures

NASA Astrophysics Data System (ADS)

Jung, Yugyung; Hyun, Ji-chul; Choi, Jongchan; Atajanov, Arslan; Yang, Sung

2017-12-01

Controlling cells' movement is an important technique in biological analysis that is performed within a microfluidic system. Many external forces are utilized for manipulation of cells, including their position in the channel. These forces can effectively control cells in a desired manner. Most of techniques used to manipulate cells require sophisticated set-ups and equipment to generate desired effect. The exception to this is the use of hydrodynamic force. In this study, a series of continuously varying herringbone structures is proposed for positioning cells in a microfluidic channel using hydrodynamic force. This structure was experimentally developed by changing parameters, such as the length of the herringbone's apex, the length of the herringbone's base and the ratio of the height of the flat channel to the height of the herringbone structure. Results of this study, have demonstrated that the length of the herringbone's apex and the ratio of the heights of the flat channel and the herringbone structure were crucial parameters influencing positioning of cells at 100 μl/h flow rate. The final design was fixed at 170 and 80 μm for the length of herringbone's apex and the length of herringbone's base, respectively. The average position of cells in this device was 34 μm away from the side wall in a 200 μm wide channel. Finally, to substantiate a practical application of the herringbone structure for positioning, cells were randomly introduced into a microfluidic device, containing an array of trapping structures together with a series of herringbone structures along the channel. The cells were moved toward the trapping structure by the herringbone structure and the trapping efficiency was increased. Therefore, it is anticipated that this device will be utilized to continuously control cells' position without application of external forces.

An AI-based approach to structural damage identification by modal analysis

NASA Technical Reports Server (NTRS)

Glass, B. J.; Hanagud, S.

1990-01-01

Flexible-structure damage is presently addressed by a combined model- and parameter-identification approach which employs the AI methodologies of classification, heuristic search, and object-oriented model knowledge representation. The conditions for model-space search convergence to the best model are discussed in terms of search-tree organization and initial model parameter error. In the illustrative example of a truss structure presented, the use of both model and parameter identification is shown to lead to smaller parameter corrections than would be required by parameter identification alone.

Development of process parameters for 22 nm PMOS using 2-D analytical modeling

NASA Astrophysics Data System (ADS)

Maheran, A. H. Afifah; Menon, P. S.; Ahmad, I.; Shaari, S.; Faizah, Z. A. Noor

2015-04-01

The complementary metal-oxide-semiconductor field effect transistor (CMOSFET) has become major challenge to scaling and integration. Innovation in transistor structures and integration of novel materials are necessary to sustain this performance trend. CMOS variability in the scaling technology becoming very important concern due to limitation of process control; over statistically variability related to the fundamental discreteness and materials. Minimizing the transistor variation through technology optimization and ensuring robust product functionality and performance is the major issue.In this article, the continuation study on process parameters variations is extended and delivered thoroughly in order to achieve a minimum leakage current (ILEAK) on PMOS planar transistor at 22 nm gate length. Several device parameters are varies significantly using Taguchi method to predict the optimum combination of process parameters fabrication. A combination of high permittivity material (high-k) and metal gate are utilized accordingly as gate structure where the materials include titanium dioxide (TiO2) and tungsten silicide (WSix). Then the L9 of the Taguchi Orthogonal array is used to analyze the device simulation where the results of signal-to-noise ratio (SNR) of Smaller-the-Better (STB) scheme are studied through the percentage influences of the process parameters. This is to achieve a minimum ILEAK where the maximum predicted ILEAK value by International Technology Roadmap for Semiconductors (ITRS) 2011 is said to should not above 100 nA/µm. Final results shows that the compensation implantation dose acts as the dominant factor with 68.49% contribution in lowering the device's leakage current. The absolute process parameters combination results in ILEAK mean value of 3.96821 nA/µm where is far lower than the predicted value.

Development of process parameters for 22 nm PMOS using 2-D analytical modeling

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

Maheran, A. H. Afifah; Menon, P. S.; Shaari, S.

2015-04-24

The complementary metal-oxide-semiconductor field effect transistor (CMOSFET) has become major challenge to scaling and integration. Innovation in transistor structures and integration of novel materials are necessary to sustain this performance trend. CMOS variability in the scaling technology becoming very important concern due to limitation of process control; over statistically variability related to the fundamental discreteness and materials. Minimizing the transistor variation through technology optimization and ensuring robust product functionality and performance is the major issue.In this article, the continuation study on process parameters variations is extended and delivered thoroughly in order to achieve a minimum leakage current (I{sub LEAK}) onmore » PMOS planar transistor at 22 nm gate length. Several device parameters are varies significantly using Taguchi method to predict the optimum combination of process parameters fabrication. A combination of high permittivity material (high-k) and metal gate are utilized accordingly as gate structure where the materials include titanium dioxide (TiO{sub 2}) and tungsten silicide (WSi{sub x}). Then the L9 of the Taguchi Orthogonal array is used to analyze the device simulation where the results of signal-to-noise ratio (SNR) of Smaller-the-Better (STB) scheme are studied through the percentage influences of the process parameters. This is to achieve a minimum I{sub LEAK} where the maximum predicted I{sub LEAK} value by International Technology Roadmap for Semiconductors (ITRS) 2011 is said to should not above 100 nA/µm. Final results shows that the compensation implantation dose acts as the dominant factor with 68.49% contribution in lowering the device’s leakage current. The absolute process parameters combination results in I{sub LEAK} mean value of 3.96821 nA/µm where is far lower than the predicted value.« less

A simple method for identifying parameter correlations in partially observed linear dynamic models.

PubMed

Li, Pu; Vu, Quoc Dong

2015-12-14

Parameter estimation represents one of the most significant challenges in systems biology. This is because biological models commonly contain a large number of parameters among which there may be functional interrelationships, thus leading to the problem of non-identifiability. Although identifiability analysis has been extensively studied by analytical as well as numerical approaches, systematic methods for remedying practically non-identifiable models have rarely been investigated. We propose a simple method for identifying pairwise correlations and higher order interrelationships of parameters in partially observed linear dynamic models. This is made by derivation of the output sensitivity matrix and analysis of the linear dependencies of its columns. Consequently, analytical relations between the identifiability of the model parameters and the initial conditions as well as the input functions can be achieved. In the case of structural non-identifiability, identifiable combinations can be obtained by solving the resulting homogenous linear equations. In the case of practical non-identifiability, experiment conditions (i.e. initial condition and constant control signals) can be provided which are necessary for remedying the non-identifiability and unique parameter estimation. It is noted that the approach does not consider noisy data. In this way, the practical non-identifiability issue, which is popular for linear biological models, can be remedied. Several linear compartment models including an insulin receptor dynamics model are taken to illustrate the application of the proposed approach. Both structural and practical identifiability of partially observed linear dynamic models can be clarified by the proposed method. The result of this method provides important information for experimental design to remedy the practical non-identifiability if applicable. The derivation of the method is straightforward and thus the algorithm can be easily implemented into a software packet.

Bayesian uncertainty analysis for complex systems biology models: emulation, global parameter searches and evaluation of gene functions.

PubMed

Vernon, Ian; Liu, Junli; Goldstein, Michael; Rowe, James; Topping, Jen; Lindsey, Keith

2018-01-02

Many mathematical models have now been employed across every area of systems biology. These models increasingly involve large numbers of unknown parameters, have complex structure which can result in substantial evaluation time relative to the needs of the analysis, and need to be compared to observed data of various forms. The correct analysis of such models usually requires a global parameter search, over a high dimensional parameter space, that incorporates and respects the most important sources of uncertainty. This can be an extremely difficult task, but it is essential for any meaningful inference or prediction to be made about any biological system. It hence represents a fundamental challenge for the whole of systems biology. Bayesian statistical methodology for the uncertainty analysis of complex models is introduced, which is designed to address the high dimensional global parameter search problem. Bayesian emulators that mimic the systems biology model but which are extremely fast to evaluate are embeded within an iterative history match: an efficient method to search high dimensional spaces within a more formal statistical setting, while incorporating major sources of uncertainty. The approach is demonstrated via application to a model of hormonal crosstalk in Arabidopsis root development, which has 32 rate parameters, for which we identify the sets of rate parameter values that lead to acceptable matches between model output and observed trend data. The multiple insights into the model's structure that this analysis provides are discussed. The methodology is applied to a second related model, and the biological consequences of the resulting comparison, including the evaluation of gene functions, are described. Bayesian uncertainty analysis for complex models using both emulators and history matching is shown to be a powerful technique that can greatly aid the study of a large class of systems biology models. It both provides insight into model behaviour and identifies the sets of rate parameters of interest.

Molecular structures and intramolecular dynamics of pentahalides

NASA Astrophysics Data System (ADS)

Ischenko, A. A.

2017-03-01

This paper reviews advances of modern gas electron diffraction (GED) method combined with high-resolution spectroscopy and quantum chemical calculations in studies of the impact of intramolecular dynamics in free molecules of pentahalides. Some recently developed approaches to the electron diffraction data interpretation, based on direct incorporation of the adiabatic potential energy surface parameters to the diffraction intensity are described. In this way, complementary data of different experimental and computational methods can be directly combined for solving problems of the molecular structure and its dynamics. The possibility to evaluate some important parameters of the adiabatic potential energy surface - barriers to pseudorotation and saddle point of intermediate configuration from diffraction intensities in solving the inverse GED problem is demonstrated on several examples. With increasing accuracy of the electron diffraction intensities and the development of the theoretical background of electron scattering and data interpretation, it has become possible to investigate complex nuclear dynamics in fluxional systems by the GED method. Results of other research groups are also included in the discussion.

Hydrodynamic Modeling and Its Application in AUC.

PubMed

Rocco, Mattia; Byron, Olwyn

2015-01-01

The hydrodynamic parameters measured in an AUC experiment, s(20,w) and D(t)(20,w)(0), can be used to gain information on the solution structure of (bio)macromolecules and their assemblies. This entails comparing the measured parameters with those that can be computed from usually "dry" structures by "hydrodynamic modeling." In this chapter, we will first briefly put hydrodynamic modeling in perspective and present the basic physics behind it as implemented in the most commonly used methods. The important "hydration" issue is also touched upon, and the distinction between rigid bodies versus those for which flexibility must be considered in the modeling process is then made. The available hydrodynamic modeling/computation programs, HYDROPRO, BEST, SoMo, AtoB, and Zeno, the latter four all implemented within the US-SOMO suite, are described and their performance evaluated. Finally, some literature examples are presented to illustrate the potential applications of hydrodynamics in the expanding field of multiresolution modeling. © 2015 Elsevier Inc. All rights reserved.

Photoactive layer based on T-shaped benzimidazole dyes used for solar cell: from photoelectric properties to molecular design

NASA Astrophysics Data System (ADS)

Xu, Beibei; Li, Yuanzuo; Song, Peng; Ma, Fengcai; Sun, Mengtao

2017-03-01

Three benzimidazole-based organic dyes, possessing the same triphenylamine donors and cyanoacrylic acid acceptors with the bithiophene π-bridges combined in different nuclear positions of benzimidazole, were investigated in the utility of dye-sensitizer solar cells. The structure, molecular orbital and energy, absorption spectra and some important parameters (such as light harvesting efficiency (LHE), electron injection driving force, the electron injection time, chemical reactivity parameters, vertical dipole moment as well as interaction models of dye-I2) were obtained according to Newns-Anderson model and DFT calculation. The process and strength of charge transfer and separation were visualized with charge different density and index of spatial extent (S, D and Δq). Current work paid attention to the new T-shaped dyes to reveal the relation between the structure and photoelectric performance. Furthermore, nine dyes (substitution of alkyl chains and π-bridges) have been designed and characterized to screen promising sensitizer candidates with excellent photo-electronic properties.

HEAT INPUT AND POST WELD HEAT TREATMENT EFFECTS ON REDUCED-ACTIVATION FERRITIC/MARTENSITIC STEEL FRICTION STIR WELDS

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

Tang, Wei; Chen, Gaoqiang; Chen, Jian

Reduced-activation ferritic/martensitic (RAFM) steels are an important class of structural materials for fusion reactor internals developed in recent years because of their improved irradiation resistance. However, they can suffer from welding induced property degradations. In this paper, a solid phase joining technology friction stir welding (FSW) was adopted to join a RAFM steel Eurofer 97 and different FSW parameters/heat input were chosen to produce welds. FSW response parameters, joint microstructures and microhardness were investigated to reveal relationships among welding heat input, weld structure characterization and mechanical properties. In general, FSW heat input results in high hardness inside the stir zonemore » mostly due to a martensitic transformation. It is possible to produce friction stir welds similar to but not with exactly the same base metal hardness when using low power input because of other hardening mechanisms. Further, post weld heat treatment (PWHT) is a very effective way to reduce FSW stir zone hardness values.« less

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.

Buried Man-made Structure Imaging using 2-D Resistivity Inversion

NASA Astrophysics Data System (ADS)

Anderson Bery, Andy; Nordiana, M. M.; El Hidayah Ismail, Noer; Jinmin, M.; Nur Amalina, M. K. A.

2018-04-01

This study is carried out with the objective to determine the suitable resistivity inversion method for buried man-made structure (bunker). This study was carried out with two stages. The first stage is suitable array determination using 2-D computerized modeling method. One suitable array is used for the infield resistivity survey to determine the dimension and location of the target. The 2-D resistivity inversion results showed that robust inversion method is suitable to resolve the top and bottom part of the buried bunker as target. In addition, the dimension of the buried bunker is successfully determined with height of 7 m and length of 20 m. The location of this target is located at -10 m until 10 m of the infield resistivity survey line. The 2-D resistivity inversion results obtained in this study showed that the parameters selection is important in order to give the optimum results. These parameters are array type, survey geometry and inversion method used in data processing.

Asymptotic behavior of solutions of the renormalization group K-epsilon turbulence model

NASA Technical Reports Server (NTRS)

Yakhot, A.; Staroselsky, I.; Orszag, S. A.

1994-01-01

Presently, the only efficient way to calculate turbulent flows in complex geometries of engineering interest is to use Reynolds-average Navier-Stokes (RANS) equations. As compared to the original Navier-Stokes problem, these RANS equations posses much more complicated nonlinear structure and may exhibit far more complex nonlinear behavior. In certain cases, the asymptotic behavior of such models can be studied analytically which, aside from being an interesting fundamental problem, is important for better understanding of the internal structure of the models as well as to improve their performances. The renormalization group (RNG) K-epsilon turbulence model, derived directly from the incompresible Navier-Stokes equations, is analyzed. It has already been used to calculate a variety of turbulent and transitional flows in complex geometries. For large values of the RNG viscosity parameter, the model may exhibit singular behavior. In the form of the RNG K-epsilon model that avoids the use of explicit wall functions, a = 1, so the RNG viscosity parameter must be smaller than 23.62 to avoid singularities.

Predicting the equilibrium solubility of solid polycyclic aromatic hydrocarbons and dibenzothiophene using a combination of MOSCED plus molecular simulation or electronic structure calculations

NASA Astrophysics Data System (ADS)

Phifer, Jeremy R.; Cox, Courtney E.; da Silva, Larissa Ferreira; Nogueira, Gabriel Gonçalves; Barbosa, Ana Karolyne Pereira; Ley, Ryan T.; Bozada, Samantha M.; O'Loughlin, Elizabeth J.; Paluch, Andrew S.

2017-06-01

Methods to predict the equilibrium solubility of non-electrolyte solids are important for the design of novel separation processes. Here we demonstrate how conventional molecular simulation free energy calculations or electronic structure calculations in a continuum solvent, here SMD or SM8, can be used to predict parameters for the MOdified Separation of Cohesive Energy Density (MOSCED) method. The method is applied to the solutes naphthalene, anthracene, phenanthrene, pyrene and dibenzothiophene, compounds of interested to the petroleum industry and for environmental remediation. Adopting the melting point temperature and enthalpy of fusion of these compounds from experiment, we are able to predict equilibrium solubilities. Comparing to a total of 422 non-aqueous and 193 aqueous experimental solubilities, we find the proposed method is able to well correlate the data. The use of MOSCED is additionally advantageous as it is a solubility parameter-based method useful for intuitive solvent selection and formulation.

Effects of surface functionalization on the electronic and structural properties of carbon nanotubes: A computational approach

NASA Astrophysics Data System (ADS)

Ribeiro, M. S.; Pascoini, A. L.; Knupp, W. G.; Camps, I.

2017-12-01

Carbon nanotubes (CNTs) have important electronic, mechanical and optical properties. These features may be different when comparing a pristine nanotube with other presenting its surface functionalized. These changes can be explored in areas of research and application, such as construction of nanodevices that act as sensors and filters. Following this idea, in the current work, we present the results from a systematic study of CNT's surface functionalized with hydroxyl and carboxyl groups. Using the entropy as selection criterion, we filtered a library of 10k stochastically generated complexes for each functional concentration (5, 10, 15, 20 and 25%). The structurally related parameters (root-mean-square deviation, entropy, and volume/area) have a monotonic relationship with functionalization concentration. Differently, the electronic parameters (frontier molecular orbital energies, electronic gap, molecular hardness, and electrophilicity index) present and oscillatory behavior. For a set of concentrations, the nanotubes present spin polarized properties that can be used in spintronics.

Structural response of a rotating bladed disk to rotor whirl

NASA Technical Reports Server (NTRS)

Crawley, E. F.

1985-01-01

A set of high speed rotating whirl experiments were performed in the vacuum of the MIT Blowdown Compressor Facility on the MIT Aeroelastic Rotor, which is structurally typical of a modern high bypass ratio turbofan stage. These tests identified the natural frequencies of whirl of the rotor system by forcing its response using an electromagnetic shaker whirl excitation system. The excitation was slowly swept in frequency at constant amplitude for several constant rotor speeds in both a forward and backward whirl direction. The natural frequencies of whirl determined by these experiments were compared to those predicted by an analytical 6 DOF model of a flexible blade-rigid disk-flexible shaft rotor. The model is also presented in terms of nondimensional parameters in order to assess the importance of the interation between the bladed disk dynamics and the shaft-disk dynamics. The correlation between the experimental and predicted natural frequencies is reasonable, given the uncertainty involved in determining the stiffness parameters of the system.

Threshold Dynamics of a Temperature-Dependent Stage-Structured Mosquito Population Model with Nested Delays.

PubMed

Wang, Xiunan; Zou, Xingfu

2018-05-21

Mosquito-borne diseases remain a significant threat to public health and economics. Since mosquitoes are quite sensitive to temperature, global warming may not only worsen the disease transmission case in current endemic areas but also facilitate mosquito population together with pathogens to establish in new regions. Therefore, understanding mosquito population dynamics under the impact of temperature is considerably important for making disease control policies. In this paper, we develop a stage-structured mosquito population model in the environment of a temperature-controlled experiment. The model turns out to be a system of periodic delay differential equations with periodic delays. We show that the basic reproduction number is a threshold parameter which determines whether the mosquito population goes to extinction or remains persistent. We then estimate the parameter values for Aedes aegypti, the mosquito that transmits dengue virus. We verify the analytic result by numerical simulations with the temperature data of Colombo, Sri Lanka where a dengue outbreak occurred in 2017.

Biodiversity patterns of rock encrusting fauna from the shallow sublittoral of the Admiralty Bay.

PubMed

Krzeminska, Malgorzata; Kuklinski, Piotr

2018-08-01

The Antarctic sublittoral is one of the most demanding habitat for polar bottom-dwelling organisms, as the disturbance of this zone is highly intense. Rapid changes in the marine environment, such as increases in atmosphere and surface water temperatures, can cause dramatic changes in biodiversity, especially in glacial fjords affected by heavy melt water inputs from the retreating glaciers. In such areas, rocks are often an important support for local diversity, providing habitats for a number of encrusting organisms. Thus, understanding the patterns of diversity of shallow rock encrusting fauna and factors controlling it are particularly important. The structure and diversity patterns of rock encrusting fauna were examined from four ecologically contrasting sites in the shallow sublittoral (6-20 m) of Admiralty Bay (King George Island). The results revealed a rich and abundant encrusting community with bryozoans and polychaetes outcompeting representatives of other fauna such as foraminifera and porifera. Spatial variability in species composition, as well as biological parameters, revealed the trend of encrusting assemblages declining towards the inner fjord areas - strongly affected by high sediment input (species richness: 13.3 ± 1.2, and abundance: 68,932.99 ± 11,915.98 individuals m -2  ± standard error). In contrast, at sites more open to the central basin, a peak of biological parameters was observed (24.8 ± 1.4 and 297,360.9 ± 30,314.72, respectively). We suggest that increased sedimentation was the major factor structuring the encrusting assemblages in Ezcurra Inlet, masking the influence of other parameters, such as food and light availability, which are important for the distribution of epifauna. Thus, if the increasing intensity of glacial processes will continue in the upcoming years, the diversity of the encrusting fauna in the shallow sublittoral could dramatically decrease. Copyright © 2018 Elsevier Ltd. All rights reserved.

Structural similitude and design of scaled down laminated models

NASA Technical Reports Server (NTRS)

Simitses, G. J.; Rezaeepazhand, J.

1993-01-01

The excellent mechanical properties of laminated composite structures make them prime candidates for wide variety of applications in aerospace, mechanical and other branches of engineering. The enormous design flexibility of advanced composites is obtained at the cost of large number of design parameters. Due to complexity of the systems and lack of complete design based informations, designers tend to be conservative in their design. Furthermore, any new design is extensively evaluated experimentally until it achieves the necessary reliability, performance and safety. However, the experimental evaluation of composite structures are costly and time consuming. Consequently, it is extremely useful if a full-scale structure can be replaced by a similar scaled-down model which is much easier to work with. Furthermore, a dramatic reduction in cost and time can be achieved, if available experimental data of a specific structure can be used to predict the behavior of a group of similar systems. This study investigates problems associated with the design of scaled models. Such study is important since it provides the necessary scaling laws, and the factors which affect the accuracy of the scale models. Similitude theory is employed to develop the necessary similarity conditions (scaling laws). Scaling laws provide relationship between a full-scale structure and its scale model, and can be used to extrapolate the experimental data of a small, inexpensive, and testable model into design information for a large prototype. Due to large number of design parameters, the identification of the principal scaling laws by conventional method (dimensional analysis) is tedious. Similitude theory based on governing equations of the structural system is more direct and simpler in execution. The difficulty of making completely similar scale models often leads to accept certain type of distortion from exact duplication of the prototype (partial similarity). Both complete and partial similarity are discussed. The procedure consists of systematically observing the effect of each parameter and corresponding scaling laws. Then acceptable intervals and limitations for these parameters and scaling laws are discussed. In each case, a set of valid scaling factors and corresponding response scaling laws that accurately predict the response of prototypes from experimental models is introduced. The examples used include rectangular laminated plates under destabilizing loads, applied individually, vibrational characteristics of same plates, as well as cylindrical bending of beam-plates.

Methods for using groundwater model predictions to guide hydrogeologic data collection, with application to the Death Valley regional groundwater flow system

USGS Publications Warehouse

Tiedeman, C.R.; Hill, M.C.; D'Agnese, F. A.; Faunt, C.C.

2003-01-01

Calibrated models of groundwater systems can provide substantial information for guiding data collection. This work considers using such models to guide hydrogeologic data collection for improving model predictions by identifying model parameters that are most important to the predictions. Identification of these important parameters can help guide collection of field data about parameter values and associated flow system features and can lead to improved predictions. Methods for identifying parameters important to predictions include prediction scaled sensitivities (PSS), which account for uncertainty on individual parameters as well as prediction sensitivity to parameters, and a new "value of improved information" (VOII) method presented here, which includes the effects of parameter correlation in addition to individual parameter uncertainty and prediction sensitivity. In this work, the PSS and VOII methods are demonstrated and evaluated using a model of the Death Valley regional groundwater flow system. The predictions of interest are advective transport paths originating at sites of past underground nuclear testing. Results show that for two paths evaluated the most important parameters include a subset of five or six of the 23 defined model parameters. Some of the parameters identified as most important are associated with flow system attributes that do not lie in the immediate vicinity of the paths. Results also indicate that the PSS and VOII methods can identify different important parameters. Because the methods emphasize somewhat different criteria for parameter importance, it is suggested that parameters identified by both methods be carefully considered in subsequent data collection efforts aimed at improving model predictions.

Effects of aging on sleep structure throughout adulthood: a population-based study.

PubMed

Moraes, Walter; Piovezan, Ronaldo; Poyares, Dalva; Bittencourt, Lia Rita; Santos-Silva, Rogerio; Tufik, Sergio

2014-04-01

Although many studies have shown the evolution of sleep parameters across the lifespan, not many have included a representative sample of the general population. The objective of this study was to describe age-related changes in sleep structure, sleep respiratory parameters and periodic limb movements of the adult population of São Paulo. We selected a representative sample of the city of São Paulo, Brazil that included both genders and an age range of 20-80 years. Pregnant and lactating women, people with physical or mental impairments that prevent self-care and people who work every night were not included. This sample included 1024 individuals who were submitted to polysomnography and structured interviews. We subdivided our sample into five-year age groups. One-way analysis of variance was used to compare age groups. Pearson product-moment was used to evaluate correlation between age and sleep parameters. Total sleep time, sleep efficiency, percentage of rapid eye movement (REM) sleep and slow wave sleep showed a significant age-related decrease (P<0.05). WASO (night-time spent awake after sleep onset), arousal index, sleep latency, REM sleep latency, and the percentage of stages 1 and 2 showed a significant increase (P<0.05). Furthermore, apnea-hypopnea index increased and oxygen saturation decreased with age. The reduction in the percentage of REM sleep significantly correlated with age in women, whereas the reduction in the percentage of slow wave sleep correlated with age in men. The periodic limb movement (PLM) index increased with age in men and women. Sleep structure and duration underwent significant alterations throughout the aging process in the general population. There was an important correlation between age, sleep respiratory parameters and PLM index. In addition, men and women showed similar trends but with different effect sizes. Copyright © 2014 Elsevier B.V. All rights reserved.

A Vertical Census of Precipitation Characteristics using Ground-based Dual-polarimetric Radar Data

NASA Astrophysics Data System (ADS)

Wolff, D. B.; Petersen, W. A.; Marks, D. A.; Pippitt, J. L.; Tokay, A.; Gatlin, P. N.

2017-12-01

Characterization of the vertical structure/variability of precipitation and resultant microphysics is critical in providing physical validation of space-based precipitation retrievals. In support of NASAs Global Precipitation Measurement (GPM) mission Ground Validation (GV) program, NASA has invested in a state-of-art dual-polarimetric radar known as NPOL. NPOL is routinely deployed on the Delmarva Peninsula in support of NASAs GPM Precipitation Research Facility (PRF). NPOL has also served as the backbone of several GPM field campaigns in Oklahoma, Iowa, South Carolina and most recently in the Olympic Mountains in Washington state. When precipitation is present, NPOL obtains very high-resolution vertical profiles of radar observations (e.g. reflectivity (ZH) and differential reflectivity (ZDR)), from which important particle size distribution parameters are retrieved such as the mass-weight mean diameter (Dm) and the intercept parameter (Nw). These data are then averaged horizontally to match the nadir resolution of the dual-frequency radar (DPR; 5 km) on board the GPM satellite. The GPM DPR, Combined, and radiometer algorithms (such as GPROF) rely on functional relationships built from assumed parametric relationships and/or retrieved parameter profiles and spatial distributions of particle size (PSD), water content, and hydrometeor phase within a given sample volume. Thus, the NPOL-retrieved profiles provide an excellent tool for characterization of the vertical profile structure and variability during GPM overpasses. In this study, we will use many such overpass comparisons to quantify an estimate of the true sub-IFOV variability as a function of hydrometeor and rain type (convective or stratiform). This presentation will discuss the development of a relational database to help provide a census of the vertical structure of precipitation via analysis and correlation of reflectivity, differential reflectivity, mean-weight drop diameter and the normalized intercept parameter of the gamma drop size distribution.

Intra-Sensor Variability Study of two BLS 900 Scintillometers

NASA Astrophysics Data System (ADS)

Thiem, Christina; Mauder, Matthias; Chwala, Christian; Bernhardt, Matthias; Kunstmann, Harald; Schulz, Karsten

2017-04-01

The latent heat flux is an important validation parameter for satellite measurements and a wide variety of hydrological and meteorological numerical models. Scintillometers can provide references for such validations due to their ability to spatially integrate turbulent fluxes. Large-aperture near-infrared scintillometers are capable of determining spatial averages of the structure parameter of temperature and the sensible heat flux over path lengths up to 5 km. One way to derive both sensible and latent heat flux is to use a combined optical and microwave scintillometer system. With only an optical scintillometer and additional measurements of ground heat flux and net radiation, the latent heat flux can be calculated from the residual of the energy balance. Studies have shown, however, that in certain cases measurements from the same types of scintillometers differ due to minute differences in construction. In order to prove the robustness of the measurements of two near-infrared scintillometers for future studies, we compared their observations and validated them by comparison to the sensible heat flux derived from an eddy covariance system. In this study two boundary layer scintillometers (BLS; BLS900, Scintec, Rottenburg, Germany) were installed in a central European valley as part of the TERENO preAlpine observatory during the years 2013 and 2015. An independent measurement of the sensible and latent heat flux was obtained from a permanent eddy covariance system installed in the vicinity of the scintillometer path. The structure parameter of the refractive index and average sensible heat fluxes of both BLS units were compared with each other. In general, the BLS structure parameters correlated very well and the high correlation between the BLS-derived sensible heat fluxes and the eddy covariance-derived sensible heat fluxes encouraged further application of these scintillometers in separate experiments.

Studies on the interaction of a synthetic nitro-flavone derivative with DNA: A multi-spectroscopic and molecular docking approach.

PubMed

Mitra, A; Saikh, F; Das, J; Ghosh, S; Ghosh, R

2018-05-22

Interaction of a ligand with DNA is often the basis of drug action of many molecules. Flavones are important in this regard as their structural features confer them the ability to bind to DNA. 2-(4-Nitrophenyl)-4H-chromen-4-one (4NCO) is an important biologically active synthetic flavone derivative. We are therefore interested in studying its interaction with DNA. Absorption spectroscopy studies included standard and reverse titration, effect of ionic strength on titration, determination of stoichiometry of binding and thermal denaturation. Spectrofluorimetry techniques included fluorimetric titration, quenching studies and fluorescence displacement assay. Assessment of relative viscosity and estimation of thermodynamic parameters from CD spectral studies were also undertaken. Furthermore, molecular docking analyses were also done with different short DNA sequences. The fluorescent flavone 4NCO reversibly interacted with DNA through partial intercalation as well as minor-groove binding. The binding constant and the number of binding sites were of the order 10 4  M -1 and 1 respectively. The binding stoichiometry with DNA was found to be 1:1. The nature of the interaction of 4NCO with DNA was hydrophobic in nature and the process of binding was spontaneous, endothermic and entropy-driven. The flavone also showed a preference for binding to GC rich sequences. The study presents a profile for structural and thermodynamic parameters, for the binding of 4NCO with DNA. DNA is an important target for ligands that are effective against cell proliferative disorders. In this regard, the molecule 4NCO is important since it can exert its biological activity through its DNA binding ability and can be a potential drug candidate. Copyright © 2018 Elsevier B.V. All rights reserved.

COGNATE: comparative gene annotation characterizer.

PubMed

Wilbrandt, Jeanne; Misof, Bernhard; Niehuis, Oliver

2017-07-17

The comparison of gene and genome structures across species has the potential to reveal major trends of genome evolution. However, such a comparative approach is currently hampered by a lack of standardization (e.g., Elliott TA, Gregory TR, Philos Trans Royal Soc B: Biol Sci 370:20140331, 2015). For example, testing the hypothesis that the total amount of coding sequences is a reliable measure of potential proteome diversity (Wang M, Kurland CG, Caetano-Anollés G, PNAS 108:11954, 2011) requires the application of standardized definitions of coding sequence and genes to create both comparable and comprehensive data sets and corresponding summary statistics. However, such standard definitions either do not exist or are not consistently applied. These circumstances call for a standard at the descriptive level using a minimum of parameters as well as an undeviating use of standardized terms, and for software that infers the required data under these strict definitions. The acquisition of a comprehensive, descriptive, and standardized set of parameters and summary statistics for genome publications and further analyses can thus greatly benefit from the availability of an easy to use standard tool. We developed a new open-source command-line tool, COGNATE (Comparative Gene Annotation Characterizer), which uses a given genome assembly and its annotation of protein-coding genes for a detailed description of the respective gene and genome structure parameters. Additionally, we revised the standard definitions of gene and genome structures and provide the definitions used by COGNATE as a working draft suggestion for further reference. Complete parameter lists and summary statistics are inferred using this set of definitions to allow down-stream analyses and to provide an overview of the genome and gene repertoire characteristics. COGNATE is written in Perl and freely available at the ZFMK homepage ( https://www.zfmk.de/en/COGNATE ) and on github ( https://github.com/ZFMK/COGNATE ). The tool COGNATE allows comparing genome assemblies and structural elements on multiples levels (e.g., scaffold or contig sequence, gene). It clearly enhances comparability between analyses. Thus, COGNATE can provide the important standardization of both genome and gene structure parameter disclosure as well as data acquisition for future comparative analyses. With the establishment of comprehensive descriptive standards and the extensive availability of genomes, an encompassing database will become possible.

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.

Spatial effects of aboveground biomass on soil ecological parameters and trace gas fluxes in a savannah ecosystem of Mount Kilimanjaro

NASA Astrophysics Data System (ADS)

Becker, Joscha; Gütlein, Adrian; Sierra Cornejo, Natalia; Kiese, Ralf; Hertel, Dietrich; Kuzyakov, Yakov

2015-04-01

The savannah biome is a hotspot for biodiversity and wildlife conservation in Africa and recently got in the focus of research on carbon sequestration. Savannah ecosystems are under strong pressure from climate and land-use change, especially around populous areas like the Mt. Kilimanjaro region. Savannah vegetation in this area consists of grassland with isolated trees and is therefore characterized by high spatial variation of canopy cover, aboveground biomass and root structure. Canopy structure is known to affect microclimate, throughfall and evapotranspiration and thereby controls soil moisture conditions. Consequently, the canopy structure is a major regulator for soil ecological parameters and soil-atmospheric trace gas exchange (CO2, N2O, CH4) in water limited environments. The spatial distribution of these parameters and the connection between above and belowground processes are important to understand and predict ecosystem changes and estimate its vulnerability. Our objective was to determine trends and changes of soil parameters and relate their spatial variability to the vegetation structure. We chose three trees from each of the two most dominant species (Acacia nilotica and Balanites aegyptiaca) in our research area. For each tree, we selected transects with nine sampling points of the same relative distances to the stem. Distances were calculated in relation to the crown radius. At these each sampling point a soil core was taken and separated in 0-10 cm and 10-30 cm depth. We measured soil carbon (C) and nitrogen (N) storage, microbial biomass carbon C and N, soil respiration as well as root biomass and -density, soil temperature and soil water content. Each tree was characterized by crown spread, leaf area index and basal area. Preliminary results show that C and N stocks decreased about 50% with depth independently of distance to the tree. Soil water content under the tree crown increased with depth while it decreased under grass cover. Microbial Biomass C and N in the upper 10 cm decreased with distance (C: r²=0.22, p<0.001; N: r²=0.3, p<0.001) as well as total soil respiration. This decrease was affected by tree size but independent from tree species. We conclude that savannah ecosystems exhibit a large spatial variability of soil parameters within the upper horizons which is strongly depend on the structure of aboveground biomass.

Investigation of the relationships between the thermodynamic phase behavior and gelation behavior of a series of tripodal trisamide compounds

NASA Astrophysics Data System (ADS)

Feng, Li

Low molecular weight organic gelators(LMOGs) are important due to potential applications in many fields. Currently, most of the major studies focus on the empirical explanation of the crystallization for gelator assembly formation and morphologies, few efforts have been devoted to the thermodynamic phase behaviors and the effect of the non-ideal solution behavior on the structure of the resultant gels. In this research, tripodal trisamide compounds, synthesized from tris(2-aminoethyl)amine (TREN) by condensation with different acid chlorides, were studied as model LMOGs due to the simple one-step reaction and the commercially available chemical reactants. Gelation of organic solvents was investigated as a function of concentration and solvent solubility parameter.It has been found that the introduction of branches or cyclic units have dramatically improves the gelation ability compared to linear alkyl peripheral units. Fitting the liquidus lines using the regular solution model and calculation of the trisamide solubility parameter using solubility parameter theory gave good agreement with the trisamide solubility parameter calculated by group contribution methods. These results demonstrate that non-ideal solution behavior is an important factor in the gelation behavior of low molecular mass organic gelators. Understanding and controlling the thermodynamics and phase behaviors of the gel systems will provide effective ways to produce new efficient LMOGs in the future.