Interval-valued intuitionistic fuzzy matrix games based on Archimedean t-conorm and t-norm

NASA Astrophysics Data System (ADS)

Xia, Meimei

2018-04-01

Fuzzy game theory has been applied in many decision-making problems. The matrix game with interval-valued intuitionistic fuzzy numbers (IVIFNs) is investigated based on Archimedean t-conorm and t-norm. The existing matrix games with IVIFNs are all based on Algebraic t-conorm and t-norm, which are special cases of Archimedean t-conorm and t-norm. In this paper, the intuitionistic fuzzy aggregation operators based on Archimedean t-conorm and t-norm are employed to aggregate the payoffs of players. To derive the solution of the matrix game with IVIFNs, several mathematical programming models are developed based on Archimedean t-conorm and t-norm. The proposed models can be transformed into a pair of primal-dual linear programming models, based on which, the solution of the matrix game with IVIFNs is obtained. It is proved that the theorems being valid in the exiting matrix game with IVIFNs are still true when the general aggregation operator is used in the proposed matrix game with IVIFNs. The proposed method is an extension of the existing ones and can provide more choices for players. An example is given to illustrate the validity and the applicability of the proposed method.

Influence of the aggregate state on band structure and optical properties of C60 computed with different methods

NASA Astrophysics Data System (ADS)

Pal, Amrita; Arabnejad, Saeid; Yamashita, Koichi; Manzhos, Sergei

2018-05-01

C60 and C60 based molecules are efficient acceptors and electron transport layers for planar perovskite solar cells. While properties of these molecules are well studied by ab initio methods, those of solid C60, specifically its optical absorption properties, are not. We present a combined density functional theory-Density Functional Tight Binding (DFTB) study of the effect of solid state packing on the band structure and optical absorption of C60. The valence and conduction band edge energies of solid C60 differ on the order of 0.1 eV from single molecule frontier orbital energies. We show that calculations of optical properties using linear response time dependent-DFT(B) or the imaginary part of the dielectric constant (dipole approximation) can result in unrealistically large redshifts in the presence of intermolecular interactions compared to available experimental data. We show that optical spectra computed from the frequency-dependent real polarizability can better reproduce the effect of C60 aggregation on optical absorption, specifically with a generalized gradient approximation functional, and may be more suited to study effects of molecular aggregation.

The Aggregation of Single-Case Results Using Hierarchical Linear Models

ERIC Educational Resources Information Center

Van den Noortgate, Wim; Onghena, Patrick

2007-01-01

To investigate the generalizability of the results of single-case experimental studies, evaluating the effect of one or more treatments, in applied research various simultaneous and sequential replication strategies are used. We discuss one approach for aggregating the results for single-cases: the use of hierarchical linear models. This approach…

Investigation on chlorosomal antenna geometries: tube, lamella and spiral-type self-aggregates.

PubMed

Linnanto, Juha M; Korppi-Tommola, Jouko E I

2008-06-01

Molecular mechanics calculations and exciton theory have been used to study pigment organization in chlorosomes of green bacteria. Single and double rod, multiple concentric rod, lamella, and Archimedean spiral macrostructures of bacteriochlorophyll c molecules were created and their spectral properties evaluated. The effects of length, width, diameter, and curvature of the macrostructures as well as orientations of monomeric transition dipole moment vectors on the spectral properties of the aggregates were studied. Calculated absorption, linear dichroism, and polarization dependent fluorescence-excitation spectra of the studied long macrostructures were practically identical, but circular dichroism spectra turned out to be very sensitive to geometry and monomeric transition dipole moment orientations of the aggregates. The simulations for long multiple rod and spiral-type macrostructures, observed in recent high-resolution electron microscopy images (Oostergetel et al., FEBS Lett 581:5435-5439, 2007) gave shapes of circular dichroism spectra observed experimentally for chlorosomes. It was shown that the ratio of total circular dichroism intensity to integrated absorption of the Q(y) transition is a good measure of degree of tubular structures in the chlorosomes. Calculations suggest that the broad Q(y) line width of chlorosomes of sulfur bacteria could be due to (1) different orientations of the transition moment vectors in multi-walled rod structures or (2) a variety of Bchl-aggregate structures in the chlorosomes.

Strength of anisotropy in a granular material: Linear versus nonlinear contact model

NASA Astrophysics Data System (ADS)

La Ragione, Luigi; Gammariello, Marica; Recchia, Giuseppina

2016-12-01

In this paper, we deal with anisotropy in an idealized granular material made of a collection of frictional, elastic, contacting particles. We present a theoretical analysis for an aggregate of particles isotropically compressed and then sheared, in which two possible contacts laws between particles are considered: a linear contact law, where the contact stiffness is constant; and a nonlinear contact law, where the contact stiffness depends on the overlapping between particles. In the former case the anisotropy observed in the aggregate is associated with particle arrangement. In fact, although the aggregate is initially characterized by an isotropic network of contacts, during the loading, an anisotropic texture develops, which is measured by a fabric tensor. With a nonlinear contact law it is possible to develop anisotropy because contacting stiffnesses are different, depending on the orientation of the contact vectors with respect to the axis of the applied deformation. We find that before the peak load is reached, an aggregate made of particles with a linear contact law develops a much smaller anisotropy compared with that of an aggregate with a nonlinear law.

To Aggregate or Not and Potentially Better Questions for Clustered Data: The Need for Hierarchical Linear Modeling in CTE Research

ERIC Educational Resources Information Center

Nimon, Kim

2012-01-01

Using state achievement data that are openly accessible, this paper demonstrates the application of hierarchical linear modeling within the context of career technical education research. Three prominent approaches to analyzing clustered data (i.e., modeling aggregated data, modeling disaggregated data, modeling hierarchical data) are discussed…

Dynamic perturbation effects upon the circular dichroism intensity induced in an aggregate of dye chromophores bound to biopolymers

NASA Astrophysics Data System (ADS)

Kamiya, Mamoru

1980-11-01

The dynamic perturbation effects of polarizable monomer perturbers upon the circular dichroism intensity arising from absorption transitions of an arbitrary aggregate of dye chromophores bound to a large host polymer are formulated using the linear response theory in the decorrelation approximation, where the interchromophoric retardation phase factors are eliminated by a first-order Taylor expansion which is compatible with the use of the retarded helix selection rules in the long-wavelength approximation. A space-averaged and closed-form formulation of the non-conservative circular dichroism intensity which is perturbed by intensity with the outside perturber transitions is derived in the limit of the weak dynamic perturbation where perturber—perturber interactions are negligible. The relevant formulation is applied in order to investigate the intercalation model dependence of the non-conservative circular dichroism intensity induced at the visible absorption band of proflavine molecules intercalated in either poly(A—T) or poly(G—C).

On the theory of hysteretic magnetostriction of soft ferrogels

NASA Astrophysics Data System (ADS)

Zubarev, Andrey; Chirikov, Dmitry; Stepanov, Gennady; Borin, Dmitry; Lopez-Lopez, M. T.

2018-05-01

The paper deals with theoretical study of hysteretic magnetostriction of soft ferrogels - composite materials, consisting of the micron-sized magnetizable particles embedded into gel matrices. It is supposed that initially, before application of an external magnetic field, the particles are homogeneously and isotropically distributed in an elastic matrix. The theoretical explanation of the hysteresis phenomena is based on the conception that, under the field action, the particles rearrange into the linear chain-like aggregates. The typical length of the chains is determined by the competition between the force of magnetic attraction of the particles and the force of elastic deformation of the matrix.

An Application of Force Aggregate Theory in Family Communication Networks.

ERIC Educational Resources Information Center

Fontes, Norm; And Others

This study explores the effect that divorce has upon interpersonal influence in family communication directed at children. A paradigm utilizing Woefel's Forced Aggregate theory was developed for exploration of the problem area. A number of practical and theoretical implications are presented. The research is intended to have far-reaching…

Estimating linear temporal trends from aggregated environmental monitoring data

USGS Publications Warehouse

Erickson, Richard A.; Gray, Brian R.; Eager, Eric A.

2017-01-01

Trend estimates are often used as part of environmental monitoring programs. These trends inform managers (e.g., are desired species increasing or undesired species decreasing?). Data collected from environmental monitoring programs is often aggregated (i.e., averaged), which confounds sampling and process variation. State-space models allow sampling variation and process variations to be separated. We used simulated time-series to compare linear trend estimations from three state-space models, a simple linear regression model, and an auto-regressive model. We also compared the performance of these five models to estimate trends from a long term monitoring program. We specifically estimated trends for two species of fish and four species of aquatic vegetation from the Upper Mississippi River system. We found that the simple linear regression had the best performance of all the given models because it was best able to recover parameters and had consistent numerical convergence. Conversely, the simple linear regression did the worst job estimating populations in a given year. The state-space models did not estimate trends well, but estimated population sizes best when the models converged. We found that a simple linear regression performed better than more complex autoregression and state-space models when used to analyze aggregated environmental monitoring data.

Depletion forces drive polymer-like self-assembly in vibrofluidized granular materials†

PubMed Central

Nossal, Ralph

2011-01-01

Ranging from nano- to granular-scales, control of particle assembly can be achieved by limiting the available free space, for example by increasing the concentration of particles (“crowding”) or through their restriction to 2D environments. It is unclear, however, if self-assembly principles governing thermally-equilibrated molecules can also apply to mechanically-excited macroscopic particles in non-equilibrium steady-state. Here we show that low densities of vibrofluidized steel rods, when crowded by high densities of spheres and confined to quasi-2D planes, can self-assemble into linear polymer-like structures. Our 2D Monte Carlo simulations show similar finite sized aggregates in thermally equilibrated binary mixtures. Using theory and simulations, we demonstrate how depletion interactions create oriented “binding” forces between rigid rods to form these “living polymers.” Unlike rod-sphere mixtures in 3D that can demonstrate well-defined equilibrium phases, our mixtures confined to 2D lack these transitions because lower dimensionality favors the formation of linear aggregates, thus suppressing a true phase transition. The qualitative and quantitative agreement between equilibrium and granular patterning for these mixtures suggests that entropy maximization is the determining driving force for bundling. Furthermore, this study uncovers a previously unknown patterning behavior at both the granular and nanoscales, and may provide insights into the role of crowding at interfaces in molecular assembly. PMID:22039392

Study on photophysical and aggregation induced emission recognition of 1,8-naphthalimide probe for casein by spectroscopic method

NASA Astrophysics Data System (ADS)

Sun, Yang; Liu, Zhen; Liang, Xuhua; Fan, Jun; Han, Quan

2013-05-01

A novel water-soluble 1,8-naphthalimide derivative 1, bearing two acetic carboxylic groups, exhibited fluorescent turn-on recognition for casein based on the aggregation induced emission (AIE) character. The photophysical properties of 1 consisting of donor and acceptor units were investigated in different solutions. The fluorescence intensity decreased through taking advantage of twisted intramolecular charge transfer (TICT) and self-association emission with increasing solvent polarity. Moreover, the spectral red-shift and intensity quench in protic solvents were caused by the excited-state hydrogen bond strengthening effect. Density Functional Theory (DFT) calculations revealed that 1 exhibited a strong TICT character. The AIE mechanism of 1 with casein was due to 1 docked in the hydrophobic cavity between sub-micelles and bound with Tyr and Trp residues, resulting in the aggregation of 1 on the casein surface and emission enhancement. Based on this, a novel casein assay method was developed. The proposed exhibited a good linear range from 0.1 to 22 μg mL-1, with the detection limit of 2.8 ng mL-1. Satisfactory reproducibility, reversibility and a short response time were realized. This method was applied to the determination of casein in milk powder samples and the results were in good agreement with the result of Biuret method.

Neighborhood adversity, ethnic diversity, and weak social cohesion and social networks predict high rates of maternal depressive symptoms: a critical realist ecological study in South Western Sydney, Australia.

PubMed

Eastwood, John Graeme; Kemp, Lynn Ann; Jalaludin, Bin Badrudin; Phung, Hai Ngoc

2013-01-01

The aim of the study reported here is to explore ecological covariate and latent variable associations with perinatal depressive symptoms in South Western Sydney for the purpose of informing subsequent theory generation of perinatal context, depression, and the developmental origins of health and disease. Mothers (n = 15,389) delivering in 2002 and 2003 were assessed at two to three weeks after delivery for risk factors for depressive symptoms. The binary outcome variables were Edinburgh Postnatal Depression Scale (EPDS)> 9 and > 12. Aggregated EPDS > 9 was analyzed for 101 suburbs. Suburb-level variables were drawn from the 2001 Australian Census, New South Wales Crime Statistics, and aggregated individual-level risk factors. Analysis included exploratory factor analysis, univariate and multivariate likelihood, and Bayesian linear regression with conditional autoregressive components. The exploratory factor analysis identified six factors: neighborhood adversity, social cohesion, health behaviors, housing quality, social services, and support networks. Variables associated with neighborhood adversity, social cohesion, social networks, and ethnic diversity were consistently associated with aggregated depressive symptoms. The findings support the theoretical proposition that neighborhood adversity causes maternal psychological distress and depression within the context of social buffers including social networks, social cohesion, and social services.

Sizing aerosolized fractal nanoparticle aggregates through Bayesian analysis of wide-angle light scattering (WALS) data

NASA Astrophysics Data System (ADS)

Huber, Franz J. T.; Will, Stefan; Daun, Kyle J.

2016-11-01

Inferring the size distribution of aerosolized fractal aggregates from the angular distribution of elastically scattered light is a mathematically ill-posed problem. This paper presents a procedure for analyzing Wide-Angle Light Scattering (WALS) data using Bayesian inference. The outcome is probability densities for the recovered size distribution and aggregate morphology parameters. This technique is applied to both synthetic data and experimental data collected on soot-laden aerosols, using a measurement equation derived from Rayleigh-Debye-Gans fractal aggregate (RDG-FA) theory. In the case of experimental data, the recovered aggregate size distribution parameters are generally consistent with TEM-derived values, but the accuracy is impaired by the well-known limited accuracy of RDG-FA theory. Finally, we show how this bias could potentially be avoided using the approximation error technique.

Regularized learning of linear ordered-statistic constant false alarm rate filters (Conference Presentation)

NASA Astrophysics Data System (ADS)

Havens, Timothy C.; Cummings, Ian; Botts, Jonathan; Summers, Jason E.

2017-05-01

The linear ordered statistic (LOS) is a parameterized ordered statistic (OS) that is a weighted average of a rank-ordered sample. LOS operators are useful generalizations of aggregation as they can represent any linear aggregation, from minimum to maximum, including conventional aggregations, such as mean and median. In the fuzzy logic field, these aggregations are called ordered weighted averages (OWAs). Here, we present a method for learning LOS operators from training data, viz., data for which you know the output of the desired LOS. We then extend the learning process with regularization, such that a lower complexity or sparse LOS can be learned. Hence, we discuss what 'lower complexity' means in this context and how to represent that in the optimization procedure. Finally, we apply our learning methods to the well-known constant-false-alarm-rate (CFAR) detection problem, specifically for the case of background levels modeled by long-tailed distributions, such as the K-distribution. These backgrounds arise in several pertinent imaging problems, including the modeling of clutter in synthetic aperture radar and sonar (SAR and SAS) and in wireless communications.

Impact of asymmetrical flow field-flow fractionation on protein aggregates stability.

PubMed

Bria, Carmen R M; Williams, S Kim Ratanathanawongs

2016-09-23

The impact of asymmetrical flow field-flow fractionation (AF4) on protein aggregate species is investigated with the aid of multiangle light scattering (MALS) and dynamic light scattering (DLS). The experimental parameters probed in this study include aggregate stability in different carrier liquids, shear stress (related to sample injection), sample concentration (during AF4 focusing), and sample dilution (during separation). Two anti-streptavidin (anti-SA) IgG1 samples composed of low and high molar mass (M) aggregates are subjected to different AF4 conditions. Aggregates suspended and separated in phosphate buffer are observed to dissociate almost entirely to monomer. However, aggregates in citric acid buffer are partially stable with dissociation to 25% and 5% monomer for the low and high M samples, respectively. These results demonstrate that different carrier liquids change the aggregate stability and low M aggregates can behave differently than their larger counterparts. Increasing the duration of the AF4 focusing step showed no significant changes in the percent monomer, percent aggregates, or the average Ms in either sample. Syringe-induced shear related to sample injection resulted in an increase in hydrodynamic diameter (dh) as measured by batch mode DLS. Finally, calculations showed that dilution during AF4 separation is significantly lower than in size exclusion chromatography with dilution occurring mainly at the AF4 channel outlet and not during the separation. This has important ramifications when analyzing aggregates that rapidly dissociate (<∼2s) upon dilution as the size calculated by AF4 theory may be more accurate than that measured by online DLS. Experimentally, the dhs determined by online DLS generally agreed with AF4 theory except for the more well retained larger aggregates for which DLS showed smaller sizes. These results highlight the importance of using AF4 retention theory to understand the impacts of dilution on analytes. Copyright © 2016 Elsevier B.V. All rights reserved.

Intuitionistic fuzzy evidential power aggregation operator and its application in multiple criteria decision-making

NASA Astrophysics Data System (ADS)

Jiang, Wen; Wei, Boya

2018-02-01

The theory of intuitionistic fuzzy sets (IFS) is widely used for dealing with vagueness and the Dempster-Shafer (D-S) evidence theory has a widespread use in multiple criteria decision-making problems under uncertain situation. However, there are many methods to aggregate intuitionistic fuzzy numbers (IFNs), but the aggregation operator to fuse basic probability assignment (BPA) is rare. Power average (P-A) operator, as a powerful operator, is useful and important in information fusion. Motivated by the idea of P-A power, in this paper, a new operator based on the IFS and D-S evidence theory is proposed, which is named as intuitionistic fuzzy evidential power average (IFEPA) aggregation operator. First, an IFN is converted into a BPA, and the uncertainty is measured in D-S evidence theory. Second, the difference between BPAs is measured by Jousselme distance and a satisfying support function is proposed to get the support degree between each other effectively. Then the IFEPA operator is used for aggregating the original IFN and make a more reasonable decision. The proposed method is objective and reasonable because it is completely driven by data once some parameters are required. At the same time, it is novel and interesting. Finally, an application of developed models to the 'One Belt, One road' investment decision-making problems is presented to illustrate the effectiveness and feasibility of the proposed operator.

A novel heuristic for optimization aggregate production problem: Evidence from flat panel display in Malaysia

NASA Astrophysics Data System (ADS)

Al-Kuhali, K.; Hussain M., I.; Zain Z., M.; Mullenix, P.

2015-05-01

Aim: This paper contribute to the flat panel display industry it terms of aggregate production planning. Methodology: For the minimization cost of total production of LCD manufacturing, a linear programming was applied. The decision variables are general production costs, additional cost incurred for overtime production, additional cost incurred for subcontracting, inventory carrying cost, backorder costs and adjustments for changes incurred within labour levels. Model has been developed considering a manufacturer having several product types, which the maximum types are N, along a total time period of T. Results: Industrial case study based on Malaysia is presented to test and to validate the developed linear programming model for aggregate production planning. Conclusion: The model development is fit under stable environment conditions. Overall it can be recommended to adapt the proven linear programming model to production planning of Malaysian flat panel display industry.

Entropic effects, shape, and size of mixed micelles formed by copolymers with complex architectures

NASA Astrophysics Data System (ADS)

Kalogirou, Andreas; Gergidis, Leonidas N.; Moultos, Othonas; Vlahos, Costas

2015-11-01

The entropic effects in the comicellization behavior of amphiphilic A B copolymers differing in the chain size of solvophilic A parts were studied by means of molecular dynamics simulations. In particular, mixtures of miktoarm star copolymers differing in the molecular weight of solvophilic arms were investigated. We found that the critical micelle concentration values show a positive deviation from the analytical predictions of the molecular theory of comicellization for chemically identical copolymers. This can be attributed to the effective interactions between copolymers originated from the arm size asymmetry. The effective interactions induce a very small decrease in the aggregation number of preferential micelles triggering the nonrandom mixing between the solvophilic moieties in the corona. Additionally, in order to specify how the chain architecture affects the size distribution and the shape of mixed micelles we studied star-shaped, H-shaped, and homo-linked-rings-linear mixtures. In the first case the individual constituents form micelles with preferential and wide aggregation numbers and in the latter case the individual constituents form wormlike and spherical micelles.

Entropic effects, shape, and size of mixed micelles formed by copolymers with complex architectures.

PubMed

Kalogirou, Andreas; Gergidis, Leonidas N; Moultos, Othonas; Vlahos, Costas

2015-11-01

The entropic effects in the comicellization behavior of amphiphilic AB copolymers differing in the chain size of solvophilic A parts were studied by means of molecular dynamics simulations. In particular, mixtures of miktoarm star copolymers differing in the molecular weight of solvophilic arms were investigated. We found that the critical micelle concentration values show a positive deviation from the analytical predictions of the molecular theory of comicellization for chemically identical copolymers. This can be attributed to the effective interactions between copolymers originated from the arm size asymmetry. The effective interactions induce a very small decrease in the aggregation number of preferential micelles triggering the nonrandom mixing between the solvophilic moieties in the corona. Additionally, in order to specify how the chain architecture affects the size distribution and the shape of mixed micelles we studied star-shaped, H-shaped, and homo-linked-rings-linear mixtures. In the first case the individual constituents form micelles with preferential and wide aggregation numbers and in the latter case the individual constituents form wormlike and spherical micelles.

Linear regression crash prediction models : issues and proposed solutions.

DOT National Transportation Integrated Search

2010-05-01

The paper develops a linear regression model approach that can be applied to : crash data to predict vehicle crashes. The proposed approach involves novice data aggregation : to satisfy linear regression assumptions; namely error structure normality ...

An Aggregate IRT Procedure for Exploratory Factor Analysis

ERIC Educational Resources Information Center

Camilli, Gregory; Fox, Jean-Paul

2015-01-01

An aggregation strategy is proposed to potentially address practical limitation related to computing resources for two-level multidimensional item response theory (MIRT) models with large data sets. The aggregate model is derived by integration of the normal ogive model, and an adaptation of the stochastic approximation expectation maximization…

Kinetics of red blood cell rouleaux formation studied by light scattering

NASA Astrophysics Data System (ADS)

Szołna-Chodór, Alicja; Bosek, Maciej; Grzegorzewski, Bronisław

2015-02-01

Red blood cell (RBC) rouleaux formation was experimentally studied using a light scattering technique. The suspensions of RBCs were obtained from the blood of healthy donors. Hematocrit of the samples was adjusted ranging from 1% to 4%. Measurements of the intensity of the coherent component of light scattered by the suspensions were performed and the scattering coefficient of the suspensions was determined. The number of RBCs per rouleaux was obtained using anomalous diffraction theory. The technique was used to show the effect of time, hematocrit, and sample thickness on the process. The number of cells per rouleaux first increases linearly, reaches a critical value at ˜3 cells per rouleaux, and then a further increase in the rouleaux size is observed. The kinetic constant of the rouleaux growth in the linear region is found to be independent of hematocrit. The aggregation rate increases as the sample thickness increases. The time at which the critical region appears strongly decreases as the hematocrit of the suspension increases.

Holographic Characterization of Colloidal Fractal Aggregates

NASA Astrophysics Data System (ADS)

Wang, Chen; Cheong, Fook Chiong; Ruffner, David B.; Zhong, Xiao; Ward, Michael D.; Grier, David G.

In-line holographic microscopy images of micrometer-scale fractal aggregates can be interpreted with the Lorenz-Mie theory of light scattering and an effective-sphere model to obtain each aggregate's size and the population-averaged fractal dimension. We demonstrate this technique experimentally using model fractal clusters of polystyrene nanoparticles and fractal protein aggregates composed of bovine serum albumin and bovine pancreas insulin. This technique can characterize several thousand aggregates in ten minutes and naturally distinguishes aggregates from contaminants such as silicone oil droplets. Work supported by the SBIR program of the NSF.

Reduction in aggregation and energy transfer of quantum dots incorporated in polystyrene beads by kinetic entrapment due to cross-linking during polymerization.

PubMed

Vaidya, Shyam V; Couzis, Alex; Maldarelli, Charles

2015-03-17

We report the development of barcoded polystyrene microbeads, approximately 50 μm in diameter, which are encoded by incorporating multicolored semiconductor fluorescent nanocrystals (quantum dots or QDs) within the microbeads and using the emission spectrum of the embedded QDs as a spectral label. The polymer/nanocrystal bead composites are formed by polymerizing emulsified liquid droplets of styrene monomer and QDs suspended in an immiscible continuous phase (suspension polymerization). We focus specifically on the effect of divinylbenzene (DVB) added to cross-link the linearly growing styrene polymer chains and the effect of this cross-linking on the state of aggregation of the nanocrystals in the composite. Aggregated states of multicolor QDs give rise to nonradiative resonance energy transfer (RET) which distorts the emission label from a spectrum recorded in a reference solvent in which the nanocrystals are well dispersed and unaggregated. A simple barcode is chosen of a mixture of QDs emitting at 560 (yellow) and 620 nm (red). We find that for linear chain growth (no DVB), the QDs aggregate as is evident from the emission spectrum and the QD distribution as seen from confocal laser scanning microscopy (CLSM) and transmission electron microscopy (TEM) images. Increasing the extent of cross-linking by the addition of DVB is shown to significantly decrease the aggregation and provide a clear label. We suggest that in the absence of cross-linking, linearly growing polymer chains, through enthalpic and entropic effects, drive the nanocrystals into inclusions, while cross-linking kinetically entraps the particle and prevents their aggregation.

Ru(II)-based metallosurfactant forming inverted aggregates.

PubMed

Domínguez-Gutiérrez, David; Surtchev, Marko; Eiser, Erika; Elsevier, Cornelis J

2006-02-01

Knowing the advantages of incorporating a transition metal into interfaces, we report on the first inverted aggregates formed using metallosurfactants. The metallosurfactant possesses four long linear tails that account for the shielding of the polar headgroup in apolar solvents. The nature of the so-formed aggregates changes dramatically from inverted vesicles (toluene) to inverted micelles (hexane). The size of the aggregates was determined using dynamic light scattering. Atomic force microscopy allowed us to study the dry structure of the vesicles on a glass surface.

Boundary Layer Height and Buoyancy Determine the Horizontal Scale of Convective Self-Aggregation

DOE PAGES

Yang, Da

2018-01-24

Organized rainstorms and their associated overturning circulations can self-emerge over an ocean surface with uniform temperature in cloud-resolving simulations. This phenomenon is referred to as convective self-aggregation. Convective self-aggregation is argued to be an important building block for tropical weather systems and may help regulate tropical atmospheric humidity and thereby tropical climate stability. Here the author presents a boundary layer theory for the horizontal scale λ of 2D (x, z) convective self-aggregation by considering both the momentum and energy constraints for steady circulations. This theory suggests that λ scales with the product of the boundary layer height h and themore » square root of the amplitude of density variation between aggregated moist and dry regions in the boundary layer, and that this density variation mainly arises from the moisture variation due to the virtual effect of water vapor. Furthermore, this theory predicts the following: 1) the order of magnitude of λ is ~2000 km, 2) the aspect ratio of the boundary layer λ/h increases with surface warming, and 3) λ decreases when the virtual effect of water vapor is disabled. These predictions are confirmed using a sui te of cloud-resolving simulations spanning a wide range of climates.« less

Boundary Layer Height and Buoyancy Determine the Horizontal Scale of Convective Self-Aggregation

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

Yang, Da

Organized rainstorms and their associated overturning circulations can self-emerge over an ocean surface with uniform temperature in cloud-resolving simulations. This phenomenon is referred to as convective self-aggregation. Convective self-aggregation is argued to be an important building block for tropical weather systems and may help regulate tropical atmospheric humidity and thereby tropical climate stability. Here the author presents a boundary layer theory for the horizontal scale λ of 2D (x, z) convective self-aggregation by considering both the momentum and energy constraints for steady circulations. This theory suggests that λ scales with the product of the boundary layer height h and themore » square root of the amplitude of density variation between aggregated moist and dry regions in the boundary layer, and that this density variation mainly arises from the moisture variation due to the virtual effect of water vapor. Furthermore, this theory predicts the following: 1) the order of magnitude of λ is ~2000 km, 2) the aspect ratio of the boundary layer λ/h increases with surface warming, and 3) λ decreases when the virtual effect of water vapor is disabled. These predictions are confirmed using a sui te of cloud-resolving simulations spanning a wide range of climates.« less

Structure Prediction of Self-Assembled Dye Aggregates from Cryogenic Transmission Electron Microscopy, Molecular Mechanics, and Theory of Optical Spectra.

PubMed

Friedl, Christian; Renger, Thomas; Berlepsch, Hans V; Ludwig, Kai; Schmidt Am Busch, Marcel; Megow, Jörg

2016-09-01

Cryogenic transmission electron microscopy (cryo-TEM) studies suggest that TTBC molecules self-assemble in aqueous solution to form single-walled tubes with a diameter of about 35 Å. In order to reveal the arrangement and mutual orientations of the individual molecules in the tube, we combine information from crystal structure data of this dye with a calculation of linear absorbance and linear dichroism spectra and molecular dynamics simulations. We start with wrapping crystal planes in different directions to obtain tubes of suitable diameter. This set of tube models is evaluated by comparing the resulting optical spectra with experimental data. The tubes that can explain the spectra are investigated further by molecular dynamics simulations, including explicit solvent molecules. From the trajectories of the most stable tube models, the short-range ordering of the dye molecules is extracted and the optimization of the structure is iteratively completed. The final structural model is a tube of rings with 6-fold rotational symmetry, where neighboring rings are rotated by 30° and the transition dipole moments of the chromophores form an angle of 74° with respect to the symmetry axis of the tube. This model is in agreement with cryo-TEM images and can explain the optical spectra, consisting of a sharp red-shifted J-band that is polarized parallel to to the symmetry axis of the tube and a broad blue-shifted H-band polarized perpendicular to this axis. The general structure of the homogeneous spectrum of this hybrid HJ-aggregate is described by an analytical model that explains the difference in redistribution of oscillator strength inside the vibrational manifolds of the J- and H-bands and the relative intensities and excitation energies of those bands. In addition to the particular system investigated here, the present methodology can be expected to aid the structure prediction for a wide range of self-assembled dye aggregates.

Semilinear programming: applications and implementation

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

Mohan, S.

Semilinear programming is a method of solving optimization problems with linear constraints where the non-negativity restrictions on the variables are dropped and the objective function coefficients can take on different values depending on whether the variable is positive or negative. The simplex method for linear programming is modified in this thesis to solve general semilinear and piecewise linear programs efficiently without having to transform them into equivalent standard linear programs. Several models in widely different areas of optimization such as production smoothing, facility locations, goal programming and L/sub 1/ estimation are presented first to demonstrate the compact formulation that arisesmore » when such problems are formulated as semilinear programs. A code SLP is constructed using the semilinear programming techniques. Problems in aggregate planning and L/sub 1/ estimation are solved using SLP and equivalent linear programs using a linear programming simplex code. Comparisons of CPU times and number iterations indicate SLP to be far superior. The semilinear programming techniques are extended to piecewise linear programming in the implementation of the code PLP. Piecewise linear models in aggregate planning are solved using PLP and equivalent standard linear programs using a simple upper bounded linear programming code SUBLP.« less

MODELING POROUS DUST GRAINS WITH BALLISTIC AGGREGATES. II. LIGHT SCATTERING PROPERTIES

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

Shen Yue; Draine, B. T.; Johnson, Eric T.

2009-05-10

We study the light scattering properties of random ballistic aggregates constructed in Shen et al. Using the discrete-dipole approximation, we compute the scattering phase function and linear polarization for random aggregates with various sizes and porosities, and with two different compositions: 100% silicate and 50% silicate +50% graphite. We investigate the dependence of light scattering properties on wavelength, cluster size, and porosity using these aggregate models. We find that while the shape of the phase function depends mainly on the size parameter of the aggregates, the linear polarization depends on both the size parameter and the porosity of the aggregates,more » with increasing degree of polarization as the porosity increases. Contrary to previous studies, we argue that the monomer size has negligible effects on the light scattering properties of ballistic aggregates, as long as the constituent monomer is smaller than the incident wavelength up to 2{pi}a {sub 0}/{lambda} {approx} 1.6 where a {sub 0} is the monomer radius. Previous claims for such monomer size effects are in fact the combined effects of size parameter and porosity. Finally, we present aggregate models that can reproduce the phase function and polarization of scattered light from the AU Mic debris disk and from cometary dust, including the negative polarization observed for comets at scattering angles 160 deg. {approx}< {theta} < 180 deg. These aggregates have moderate porosities, P{approx}0.6, and are of sub-{mu}m size for the debris disk case, or {mu}m size for the comet case.« less

Connecting Observations and Reanalysis of the MJO with Theory

NASA Astrophysics Data System (ADS)

Powell, S. W.

2017-12-01

Over the past few years, refined theories have been advanced the explain the onset and/or propagation of the Madden-Julian Oscillation over the tropical warm pool. For example, Adames and Kim (2016) built on Sobel and Maloney (2012, 2013) to describe the MJO as a dispersive moisture wave whose instability mechanism is a radiative-convective instability supported by anvils of large mesoscale systems. Wang and Chen (2016) describe a similar frictionally coupled moisture mode that captures many basic features of the canonically observed MJO. Arnold and Randall (2015) hypothesize that the MJO might be described as self-aggregation of convection over the Indian Ocean. Fuchs and Raymond (2017) describe the MJO as a first baroclinic dispersive mode in a simplified model with a linear WISHE instability that shows decreased propagation speeds for lower wavelengths. Not all of these theories can be correct, and quite possibly none of them are fully. Intelligent use of observations and reanalysis of past MJO events can help guide development of MJO theory. For example, Powell (2017) shows that in MERRA-2 reanalysis, the MJO propagates as a convectively coupled Kelvin wave over the Western Hemisphere then transitions abruptly into a slower moving mode over the Indian Ocean. A complete MJO theory must account for both forms as, and when, the MJO circumnavigates. Observations (like TRMM and GPM data) and reanalysis can reveal the relative roles of cloud-scale processes and large-scale free tropospheric horizontal advection in "pre-moistening" the troposphere in the location of MJO initiation where subsequent propagation of an existing MJO occurs. This can, for example, help validate or refute aspects of moisture mode theory that require large-scale dynamics to moisten an area ahead of an active envelope of MJO-related convection before the MJO can propagate eastward. Radar and satellite observations might yield some insight into whether convective self-aggregation is a real phenomenon or if upscale growth of cloud elements into mesoscale systems is actually more responsible for the apparent large-scale organization of convection in the tropics, let alone within the MJO. I will present a few such examples of how careful exploration of observations and reanalysis might help guide MJO theory during the next several years.

Mathematical Techniques for Nonlinear System Theory.

DTIC Science & Technology

1981-09-01

This report deals with research results obtained in the following areas: (1) Finite-dimensional linear system theory by algebraic methods--linear...Infinite-dimensional linear systems--realization theory of infinite-dimensional linear systems; (3) Nonlinear system theory --basic properties of

Solvent and substituent effects on aggregation constants of perylene bisimide π-stacks--a linear free energy relationship analysis.

PubMed

Chen, Zhijian; Fimmel, Benjamin; Würthner, Frank

2012-08-14

A series of six perylene bisimides (PBIs) with hydrophilic and hydrophobic side chains at the imide nitrogens were applied for a comparative study of the solvent and structural effects on the aggregation behaviour of this class of dyes. A comparison of the binding constants in tetrachloromethane at room temperature revealed the highest binding constant of about 10(5) M(-1) for a PBI bearing 3,4,5-tridodecyloxyphenyl substituents at the imide nitrogens, followed by 3,4,5-tridodecylphenyl and alkyl-substituted PBIs, whereas no aggregation could be observed in the accessible concentration range for PBIs equipped with bulky 2,6-diisopropylphenyl substituents at the imide nitrogens. The aggregation behaviour of three properly soluble compounds was investigated in 17 different solvents covering a broad polarity range from nonpolar n-hexane to highly polar DMSO and water. Linear free energy relationships (LFER) revealed a biphasic behaviour between Gibbs free energies of aggregation and common empirical solvent polarity scales indicating particularly strong π-π stacking interactions in nonpolar aliphatic and polar alcoholic solvents whilst the weakest binding is observed in dichloromethane and chloroform. Accordingly, PBI aggregation is dominated by electrostatic interactions in nonpolar solvents and by solvophobic interactions in protic solvents. In water, the aggregation constant is increased far beyond LFER expectations pointing at a pronounced hydrophobic effect.

General theory for multiple input-output perturbations in complex molecular systems. 1. Linear QSPR electronegativity models in physical, organic, and medicinal chemistry.

PubMed

González-Díaz, Humberto; Arrasate, Sonia; Gómez-SanJuan, Asier; Sotomayor, Nuria; Lete, Esther; Besada-Porto, Lina; Ruso, Juan M

2013-01-01

In general perturbation methods starts with a known exact solution of a problem and add "small" variation terms in order to approach to a solution for a related problem without known exact solution. Perturbation theory has been widely used in almost all areas of science. Bhor's quantum model, Heisenberg's matrix mechanincs, Feyman diagrams, and Poincare's chaos model or "butterfly effect" in complex systems are examples of perturbation theories. On the other hand, the study of Quantitative Structure-Property Relationships (QSPR) in molecular complex systems is an ideal area for the application of perturbation theory. There are several problems with exact experimental solutions (new chemical reactions, physicochemical properties, drug activity and distribution, metabolic networks, etc.) in public databases like CHEMBL. However, in all these cases, we have an even larger list of related problems without known solutions. We need to know the change in all these properties after a perturbation of initial boundary conditions. It means, when we test large sets of similar, but different, compounds and/or chemical reactions under the slightly different conditions (temperature, time, solvents, enzymes, assays, protein targets, tissues, partition systems, organisms, etc.). However, to the best of our knowledge, there is no QSPR general-purpose perturbation theory to solve this problem. In this work, firstly we review general aspects and applications of both perturbation theory and QSPR models. Secondly, we formulate a general-purpose perturbation theory for multiple-boundary QSPR problems. Last, we develop three new QSPR-Perturbation theory models. The first model classify correctly >100,000 pairs of intra-molecular carbolithiations with 75-95% of Accuracy (Ac), Sensitivity (Sn), and Specificity (Sp). The model predicts probabilities of variations in the yield and enantiomeric excess of reactions due to at least one perturbation in boundary conditions (solvent, temperature, temperature of addition, or time of reaction). The model also account for changes in chemical structure (connectivity structure and/or chirality paterns in substrate, product, electrophile agent, organolithium, and ligand of the asymmetric catalyst). The second model classifies more than 150,000 cases with 85-100% of Ac, Sn, and Sp. The data contains experimental shifts in up to 18 different pharmacological parameters determined in >3000 assays of ADMET (Absorption, Distribution, Metabolism, Elimination, and Toxicity) properties and/or interactions between 31723 drugs and 100 targets (metabolizing enzymes, drug transporters, or organisms). The third model classifies more than 260,000 cases of perturbations in the self-aggregation of drugs and surfactants to form micelles with Ac, Sn, and Sp of 94-95%. The model predicts changes in 8 physicochemical and/or thermodynamics output parameters (critic micelle concentration, aggregation number, degree of ionization, surface area, enthalpy, free energy, entropy, heat capacity) of self-aggregation due to perturbations. The perturbations refers to changes in initial temperature, solvent, salt, salt concentration, solvent, and/or structure of the anion or cation of more than 150 different drugs and surfactants. QSPR-Perturbation Theory models may be useful for multi-objective optimization of organic synthesis, physicochemical properties, biological activity, metabolism, and distribution profiles towards the design of new drugs, surfactants, asymmetric ligands for catalysts, and other materials.

Literature search strategies for conducting knowledge-building and theory-generating qualitative systematic reviews.

PubMed

Finfgeld-Connett, Deborah; Johnson, E Diane

2013-01-01

To report literature search strategies for the purpose of conducting knowledge-building and theory-generating qualitative systematic reviews. Qualitative systematic reviews lie on a continuum from knowledge-building and theory-generating to aggregating and summarizing. Different types of literature searches are needed to optimally support these dissimilar reviews. Articles published between 1989-Autumn 2011. These documents were identified using a hermeneutic approach and multiple literature search strategies. Redundancy is not the sole measure of validity when conducting knowledge-building and theory-generating systematic reviews. When conducting these types of reviews, literature searches should be consistent with the goal of fully explicating concepts and the interrelationships among them. To accomplish this objective, a 'berry picking' approach is recommended along with strategies for overcoming barriers to finding qualitative research reports. To enhance integrity of knowledge-building and theory-generating systematic reviews, reviewers are urged to make literature search processes as transparent as possible, despite their complexity. This includes fully explaining and rationalizing what databases were used and how they were searched. It also means describing how literature tracking was conducted and grey literature was searched. In the end, the decision to cease searching also needs to be fully explained and rationalized. Predetermined linear search strategies are unlikely to generate search results that are adequate for purposes of conducting knowledge-building and theory-generating qualitative systematic reviews. Instead, it is recommended that iterative search strategies take shape as reviews evolve. © 2012 Blackwell Publishing Ltd.

A Game Theory Algorithm for Intra-Cluster Data Aggregation in a Vehicular Ad Hoc Network

PubMed Central

Chen, Yuzhong; Weng, Shining; Guo, Wenzhong; Xiong, Naixue

2016-01-01

Vehicular ad hoc networks (VANETs) have an important role in urban management and planning. The effective integration of vehicle information in VANETs is critical to traffic analysis, large-scale vehicle route planning and intelligent transportation scheduling. However, given the limitations in the precision of the output information of a single sensor and the difficulty of information sharing among various sensors in a highly dynamic VANET, effectively performing data aggregation in VANETs remains a challenge. Moreover, current studies have mainly focused on data aggregation in large-scale environments but have rarely discussed the issue of intra-cluster data aggregation in VANETs. In this study, we propose a multi-player game theory algorithm for intra-cluster data aggregation in VANETs by analyzing the competitive and cooperative relationships among sensor nodes. Several sensor-centric metrics are proposed to measure the data redundancy and stability of a cluster. We then study the utility function to achieve efficient intra-cluster data aggregation by considering both data redundancy and cluster stability. In particular, we prove the existence of a unique Nash equilibrium in the game model, and conduct extensive experiments to validate the proposed algorithm. Results demonstrate that the proposed algorithm has advantages over typical data aggregation algorithms in both accuracy and efficiency. PMID:26907272

A Game Theory Algorithm for Intra-Cluster Data Aggregation in a Vehicular Ad Hoc Network.

PubMed

Chen, Yuzhong; Weng, Shining; Guo, Wenzhong; Xiong, Naixue

2016-02-19

Vehicular ad hoc networks (VANETs) have an important role in urban management and planning. The effective integration of vehicle information in VANETs is critical to traffic analysis, large-scale vehicle route planning and intelligent transportation scheduling. However, given the limitations in the precision of the output information of a single sensor and the difficulty of information sharing among various sensors in a highly dynamic VANET, effectively performing data aggregation in VANETs remains a challenge. Moreover, current studies have mainly focused on data aggregation in large-scale environments but have rarely discussed the issue of intra-cluster data aggregation in VANETs. In this study, we propose a multi-player game theory algorithm for intra-cluster data aggregation in VANETs by analyzing the competitive and cooperative relationships among sensor nodes. Several sensor-centric metrics are proposed to measure the data redundancy and stability of a cluster. We then study the utility function to achieve efficient intra-cluster data aggregation by considering both data redundancy and cluster stability. In particular, we prove the existence of a unique Nash equilibrium in the game model, and conduct extensive experiments to validate the proposed algorithm. Results demonstrate that the proposed algorithm has advantages over typical data aggregation algorithms in both accuracy and efficiency.

The Aggregate Supply Curve: Keynes and Downwardly Sticky Money Wages.

ERIC Educational Resources Information Center

Wells, Paul

1985-01-01

Keynes's explanation of both the rationale underlying downwardly sticky money wages and the consequences this phenomenon has for macroeconomic theory are reviewed. An aggregate supply curve appropriate to today's economy is then interpreted. (Author/RM)

Does Aggregate School-Wide Achievement Mediate Fifth Grade Outcomes for Former Early Childhood Education Participants?

ERIC Educational Resources Information Center

Curenton, Stephanie M.; Dong, Nianbo; Shen, Xiangjin

2015-01-01

This study used a multilevel mediation model to test the theory that former early childhood education (ECE) attendees' 5th grade achievement is mediated by the aggregate school-wide achievement of their elementary school. Aggregate school-wide achievement was defined as the percentage of 5th graders in a school who were at/above academic…

The Mathematics of Aggregation, Interdependence, Organizations and Systems of Nash Equilibria (NE): A Replacement for Game Theory

DTIC Science & Technology

2011-06-01

there a free-market economist in the House?, American Journal of Economics and Sociology, 66(2): 309-334. Jasny, B. R., Zahn, L.M., & Marshall, E...1   The Mathematics of Aggregation, Interdependence, Organizations and Systems of Nash equilibria (NE): A replacement for Game Theory...level data to group, organization and systems levels, making it one of social science’s biggest challenges, if not the most important (Giles, 2011). For

The breakup mechanism of biomolecular and colloidal aggregates in a shear flow

NASA Astrophysics Data System (ADS)

Ó Conchúir, Breanndán; Zaccone, Alessio

2014-03-01

The theory of self-assembly of colloidal particles in shear flow is incomplete. Previous analytical approaches have failed to capture the microscopic interplay between diffusion, shear and intermolecular interactions which controls the aggregates fate in shear. In this work we analytically solved the drift-diffusion equation for the breakup rate of a dimer in flow. Then applying rigidity percolation theory, we found that the lifetime of a generic cluster formed under shear is controlled by the typical lifetime of a single bond in its interior, which in turn depends on the efficiency of the stress transmitted from other bonds in the cluster. We showed that aggregate breakup is a thermally-activated process where the activation energy is controlled by the interplay between intermolecular forces and the shear drift, and where structural parameters determine whether cluster fragmentation or surface erosion prevails. In our latest work, we analyzed floppy modes and nonaffine deformations to derive a lower bound on the fractal dimension df below which aggregates are mechanically unstable, ie. for large aggregates df ~= 2.4. This theoretical framework is in quantitative agreement with experiments and can be used for population balance modeling of colloidal and protein aggregation.

Effects of multiple scattering on radiative properties of soot fractal aggregates

NASA Astrophysics Data System (ADS)

Yon, Jérôme; Liu, Fengshan; Bescond, Alexandre; Caumont-Prim, Chloé; Rozé, Claude; Ouf, François-Xavier; Coppalle, Alexis

2014-01-01

The in situ optical characterization of smokes composed of soot particles relies on light extinction, angular static light scattering (SLS), or laser induced incandescence (LII). These measurements are usually interpreted by using the Rayleigh-Debye-Gans theory for Fractal Aggregates (RDG-FA). RDG-FA is simple to use but it completely neglects the impact of multiple scattering (MS) within soot aggregates. In this paper, based on a scaling approach that takes into account MS effects, an extended form of the RDG-FA theory is proposed in order to take into account these effects. The parameters of this extended theory and their dependency on the number of primary sphere inside the aggregate (1

A study of the effects of an experimental spiral physics curriculum taught to sixth grade girls and boys

NASA Astrophysics Data System (ADS)

Davis, Edith G.

The pilot study compared the effectiveness of using an experimental spiral physics curriculum to a traditional linear physics curriculum for sixth through eighth grades. The study also surveyed students' parents and principals about students' academic history and background as well as identified resilient children's attributes for academic success. The pilot study was used to help validate the testing instrument as well as help refine the complete study. The purpose of the complete study was to compare the effectiveness of using an experimental spiral physics curriculum and a traditional linear curriculum with sixth graders only; seventh and eighth graders were dropped in the complete study. The study also surveyed students' parents, teachers, and principals about students' academic history and background as well as identified resilient children's attributes for academic success. Both the experimental spiral physics curriculum and the traditional linear physics curriculum increased physics achievement; however, there was no statistically significant difference in effectiveness of teaching experimental spiral physics curriculum in the aggregated sixth grade group compared to the traditional linear physics curriculum. It is important to note that the majority of the subgroups studied did show statistically significant differences in effectiveness for the experimental spiral physics curriculum compared to the traditional linear physics curriculum. The Grounded Theory analysis of resilient student characteristics resulted in categories for future studies including the empathy factor ("E" factor), the tenacity factor ("T" factor), the relational factor ("R" factor), and the spiritual factor ("S" factor).

Automatic analysis of microscopic images of red blood cell aggregates

NASA Astrophysics Data System (ADS)

Menichini, Pablo A.; Larese, Mónica G.; Riquelme, Bibiana D.

2015-06-01

Red blood cell aggregation is one of the most important factors in blood viscosity at stasis or at very low rates of flow. The basic structure of aggregates is a linear array of cell commonly termed as rouleaux. Enhanced or abnormal aggregation is seen in clinical conditions, such as diabetes and hypertension, producing alterations in the microcirculation, some of which can be analyzed through the characterization of aggregated cells. Frequently, image processing and analysis for the characterization of RBC aggregation were done manually or semi-automatically using interactive tools. We propose a system that processes images of RBC aggregation and automatically obtains the characterization and quantification of the different types of RBC aggregates. Present technique could be interesting to perform the adaptation as a routine used in hemorheological and Clinical Biochemistry Laboratories because this automatic method is rapid, efficient and economical, and at the same time independent of the user performing the analysis (repeatability of the analysis).

Morphological Evolution of Nanocluster Aggregates and Single Crystals in Alkaline Zinc Electrodeposition

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

Desai, D; Turney, DE; Anantharaman, B

2014-04-24

The morphology of Zn electrodeposits is studied on carbon-coated transmission electron microscopy grids. At low over-potentials (eta = -50 mV), the morphology develops by aggregation at two distinct length scales: similar to 5 nm diameter monocrystalline nanoclusters form similar to 50 nm diameter polycrystalline aggregates, and the aggregates form a branched network. Epitaxial (00 (0) over bar2) growth above an overpotential of vertical bar eta(c)vertical bar > 125 mV leads to the formation of hexagonal single crystals up to 2 mu m in diameter. Potentiostatic current transients were used to calculate the nucleation rate from Scharifker et al.'s model. Themore » exp(eta) dependence of the nucleation rates indicates that atomistic nucleation theory explains the nucleation process better than Volmer-Weber theory. A kinetic model is provided using the rate equations of vapor solidification to simulate the evolution of the different morphologies. On solving these equations, we show that aggregation is attributed to cluster impingement and cluster diffusion while single-crystal formation is attributed to direct attachment.« less

Forecasting Pell Program Applications Using Structural Aggregate Models.

ERIC Educational Resources Information Center

Cavin, Edward S.

1995-01-01

Demand for Pell Grant financial aid has become difficult to predict when using the current microsimulation model. This paper proposes an alternative model that uses aggregate data (based on individuals' microlevel decisions and macrodata on family incomes, college costs, and opportunity wages) and avoids some limitations of simple linear models.…

CAMELOT: A machine learning approach for coarse-grained simulations of aggregation of block-copolymeric protein sequences

PubMed Central

Ruff, Kiersten M.; Harmon, Tyler S.; Pappu, Rohit V.

2015-01-01

We report the development and deployment of a coarse-graining method that is well suited for computer simulations of aggregation and phase separation of protein sequences with block-copolymeric architectures. Our algorithm, named CAMELOT for Coarse-grained simulations Aided by MachinE Learning Optimization and Training, leverages information from converged all atom simulations that is used to determine a suitable resolution and parameterize the coarse-grained model. To parameterize a system-specific coarse-grained model, we use a combination of Boltzmann inversion, non-linear regression, and a Gaussian process Bayesian optimization approach. The accuracy of the coarse-grained model is demonstrated through direct comparisons to results from all atom simulations. We demonstrate the utility of our coarse-graining approach using the block-copolymeric sequence from the exon 1 encoded sequence of the huntingtin protein. This sequence comprises of 17 residues from the N-terminal end of huntingtin (N17) followed by a polyglutamine (polyQ) tract. Simulations based on the CAMELOT approach are used to show that the adsorption and unfolding of the wild type N17 and its sequence variants on the surface of polyQ tracts engender a patchy colloid like architecture that promotes the formation of linear aggregates. These results provide a plausible explanation for experimental observations, which show that N17 accelerates the formation of linear aggregates in block-copolymeric N17-polyQ sequences. The CAMELOT approach is versatile and is generalizable for simulating the aggregation and phase behavior of a range of block-copolymeric protein sequences. PMID:26723608

Kinetics of red blood cell rouleaux formation studied by light scattering.

PubMed

Szolna-Chodór, Alicja; Bosek, Maciej; Grzegorzewski, Bronislaw

2015-02-01

Red blood cell (RBC) rouleaux formation was experimentally studied using a light scattering technique. The suspensions of RBCs were obtained from the blood of healthy donors. Hematocrit of the samples was adjusted ranging from 1% to 4%. Measurements of the intensity of the coherent component of light scattered by the suspensions were performed and the scattering coefficient of the suspensions was determined. The number of RBCs per rouleaux was obtained using anomalous diffraction theory. The technique was used to show the effect of time, hematocrit, and sample thickness on the process. The number of cells per rouleaux first increases linearly, reaches a critical value at ∼3 cells per rouleaux, and then a further increase in the rouleaux size is observed. The kinetic constant of the rouleaux growth in the linear region is found to be independent of hematocrit. The aggregation rate increases as the sample thickness increases. The time at which the critical region appears strongly decreases as the hematocrit of the suspension increases. © 2015 Society of Photo-Optical Instrumentation Engineers (SPIE)

Defining and systematic analyses of aggregation indices to evaluate degree of calcium oxalate crystal aggregation

NASA Astrophysics Data System (ADS)

Chaiyarit, Sakdithep; Thongboonkerd, Visith

2017-12-01

Crystal aggregation is one of the most crucial steps in kidney stone pathogenesis. However, previous studies of crystal aggregation were rarely done and quantitative analysis of aggregation degree was handicapped by a lack of the standard measurement. We thus performed an in vitro assay to generate aggregation of calcium oxalate monohydrate (COM) crystals with various concentrations (25-800 µg/ml) in saturated aggregation buffer. The crystal aggregates were analyzed by microscopic examination, UV-visible spectrophotometry, and GraphPad Prism6 software to define a total of 12 aggregation indices (including number of aggregates, aggregated mass index, optical density, aggregation coefficient, span, number of aggregates at plateau time-point, aggregated area index, aggregated diameter index, aggregated symmetry index, time constant, half-life, and rate constant). The data showed linear correlation between crystal concentration and almost all of these indices, except only for rate constant. Among these, number of aggregates provided the greatest regression coefficient (r=0.997; p<0.001), whereas the equally second rank included aggregated mass index and optical density (r=0.993; p<0.001 and r=‑0.993; p<0.001, respectively) and the equally forth were aggregation coefficient and span (r=0.991; p<0.001 for both). These five indices are thus recommended as the most appropriate indices for quantitative analysis of COM crystal aggregation in vitro.

Computing aggregate properties of preimages for 2D cellular automata.

PubMed

Beer, Randall D

2017-11-01

Computing properties of the set of precursors of a given configuration is a common problem underlying many important questions about cellular automata. Unfortunately, such computations quickly become intractable in dimension greater than one. This paper presents an algorithm-incremental aggregation-that can compute aggregate properties of the set of precursors exponentially faster than naïve approaches. The incremental aggregation algorithm is demonstrated on two problems from the two-dimensional binary Game of Life cellular automaton: precursor count distributions and higher-order mean field theory coefficients. In both cases, incremental aggregation allows us to obtain new results that were previously beyond reach.

The coherence problem with th Unified Neutral Theory of biodiversity

Treesearch

James S. Clark

2012-01-01

The Unified Neutral Theory of Biodiversity (UNTB), proposed as an alternative to niche theory, has been viewed as a theory that species coexist without niche differences, without fitness differences, or with equal probability of success. Support is claimed when models lacking species differences predict highly aggregated metrics, such as species abundance distributions...

Design of a microfluidic system for red blood cell aggregation investigation.

PubMed

Mehri, R; Mavriplis, C; Fenech, M

2014-06-01

The purpose of this paper is to design a microfluidic apparatus capable of providing controlled flow conditions suitable for red blood cell (RBC) aggregation analysis. The linear velocity engendered from the controlled flow provides constant shear rates used to qualitatively analyze RBC aggregates. The design of the apparatus is based on numerical and experimental work. The numerical work consists of 3D numerical simulations performed using a research computational fluid dynamics (CFD) solver, Nek5000, while the experiments are conducted using a microparticle image velocimetry system. A Newtonian model is tested numerically and experimentally, then blood is tested experimentally under several conditions (hematocrit, shear rate, and fluid suspension) to be compared to the simulation results. We find that using a velocity ratio of 4 between the two Newtonian fluids, the layer corresponding to blood expands to fill 35% of the channel thickness where the constant shear rate is achieved. For blood experiments, the velocity profile in the blood layer is approximately linear, resulting in the desired controlled conditions for the study of RBC aggregation under several flow scenarios.

A program plan addressing carpal tunnel syndrome: the utility of King's goal attainment theory.

PubMed

Norgan, G H; Ettipio, A M; Lasome, C E

1995-08-01

1. Today's nurse is prepared to address the needs of groups of individuals who share common characteristics or risks (aggregates). Program planning skills and ability to use nursing theory can enhance the nurse's effectiveness in addressing the needs of such aggregates. 2. Carpal tunnel syndrome and other repetitive stress injuries are very costly to industry, both in terms of monetary loss and lost work hours. Such injuries can be reduced in the workplace through careful observation and communication of trends by the nurse. 3. The systems perspective of King's goal attainment theory guided the nurse in problem solving and facilitating the development of a workplace capable of responding to trends as they occur.

J-aggregation of a water-soluble tetracationic porphyrin in mixed LB films with a calix[8]arene carboxylic acid derivative.

PubMed

Miguel, Gustavo de; Pérez-Morales, Marta; Martín-Romero, María T; Muñoz, Eulogia; Richardson, Tim H; Camacho, Luis

2007-03-27

The molecular organization of a mixed film, containing a water-soluble tetracationic porphyrin (TMPyP) and a p-tert-butyl calix[8]arene octacarboxylic acid derivative (C8A), at the air-water interface and on a solid support (LB film), has been investigated. Although the TMPyP aggregation was not detected at the air-water interface, TMPyP J-aggregates have been found in the LB films (Y-type). Unlike tetraanionic porphyrins, for example TSPP, the TMPyP J-aggregates are not induced by a zwitterion formation. The TMPyP J-aggregation is a result of a "double comb" configuration, where porphyrins from opposite layers are interwoven in a linear infinite J-aggregate. Our results confirm that TMPyP molecules tend to self-aggregate strongly, provided the electrostatic repulsions of their peripheral groups are cancelled by the anionic groups of the C8A matrix.

Combined linear theory/impact theory method for analysis and design of high speed configurations

NASA Technical Reports Server (NTRS)

Brooke, D.; Vondrasek, D. V.

1980-01-01

Pressure distributions on a wing body at Mach 4.63 are calculated. The combined theory is shown to give improved predictions over either linear theory or impact theory alone. The combined theory is also applied in the inverse design mode to calculate optimum camber slopes at Mach 4.63. Comparisons with optimum camber slopes obtained from unmodified linear theory show large differences. Analysis of the results indicate that the combined theory correctly predicts the effect of thickness on the loading distributions at high Mach numbers, and that finite thickness wings optimized at high Mach numbers using unmodified linear theory will not achieve the minimum drag characteristics for which they are designed.

Linearization instability for generic gravity in AdS spacetime

NASA Astrophysics Data System (ADS)

Altas, Emel; Tekin, Bayram

2018-01-01

In general relativity, perturbation theory about a background solution fails if the background spacetime has a Killing symmetry and a compact spacelike Cauchy surface. This failure, dubbed as linearization instability, shows itself as non-integrability of the perturbative infinitesimal deformation to a finite deformation of the background. Namely, the linearized field equations have spurious solutions which cannot be obtained from the linearization of exact solutions. In practice, one can show the failure of the linear perturbation theory by showing that a certain quadratic (integral) constraint on the linearized solutions is not satisfied. For non-compact Cauchy surfaces, the situation is different and for example, Minkowski space having a non-compact Cauchy surface, is linearization stable. Here we study, the linearization instability in generic metric theories of gravity where Einstein's theory is modified with additional curvature terms. We show that, unlike the case of general relativity, for modified theories even in the non-compact Cauchy surface cases, there are some theories which show linearization instability about their anti-de Sitter backgrounds. Recent D dimensional critical and three dimensional chiral gravity theories are two such examples. This observation sheds light on the paradoxical behavior of vanishing conserved charges (mass, angular momenta) for non-vacuum solutions, such as black holes, in these theories.

Elasticity and critical bending moment of model colloidal aggregates.

PubMed

Pantina, John P; Furst, Eric M

2005-04-08

The bending mechanics of singly bonded colloidal aggregates are measured using laser tweezers. We find that the colloidal bonds are capable of supporting significant torques, providing a direct measurement of the tangential interactions between particles. A critical bending moment marks the limit of linear bending elasticity, past which small-scale rearrangements occur. These mechanical properties underlie the rheology and dynamics of colloidal gels formed by diffusion-limited cluster aggregation, and give critical insight into the contact interactions between Brownian particles.

When does "economic man" dominate social behavior?

PubMed

Camerer, Colin F; Fehr, Ernst

2006-01-06

The canonical model in economics considers people to be rational and self-regarding. However, much evidence challenges this view, raising the question of when "Economic Man" dominates the outcome of social interactions, and when bounded rationality or other-regarding preferences dominate. Here we show that strategic incentives are the key to answering this question. A minority of self-regarding individuals can trigger a "noncooperative" aggregate outcome if their behavior generates incentives for the majority of other-regarding individuals to mimic the minority's behavior. Likewise, a minority of other-regarding individuals can generate a "cooperative" aggregate outcome if their behavior generates incentives for a majority of self-regarding people to behave cooperatively. Similarly, in strategic games, aggregate outcomes can be either far from or close to Nash equilibrium if players with high degrees of strategic thinking mimic or erase the effects of others who do very little strategic thinking. Recently developed theories of other-regarding preferences and bounded rationality explain these findings and provide better predictions of actual aggregate behavior than does traditional economic theory.

Tackling non-linearities with the effective field theory of dark energy and modified gravity

NASA Astrophysics Data System (ADS)

Frusciante, Noemi; Papadomanolakis, Georgios

2017-12-01

We present the extension of the effective field theory framework to the mildly non-linear scales. The effective field theory approach has been successfully applied to the late time cosmic acceleration phenomenon and it has been shown to be a powerful method to obtain predictions about cosmological observables on linear scales. However, mildly non-linear scales need to be consistently considered when testing gravity theories because a large part of the data comes from those scales. Thus, non-linear corrections to predictions on observables coming from the linear analysis can help in discriminating among different gravity theories. We proceed firstly by identifying the necessary operators which need to be included in the effective field theory Lagrangian in order to go beyond the linear order in perturbations and then we construct the corresponding non-linear action. Moreover, we present the complete recipe to map any single field dark energy and modified gravity models into the non-linear effective field theory framework by considering a general action in the Arnowitt-Deser-Misner formalism. In order to illustrate this recipe we proceed to map the beyond-Horndeski theory and low-energy Hořava gravity into the effective field theory formalism. As a final step we derived the 4th order action in term of the curvature perturbation. This allowed us to identify the non-linear contributions coming from the linear order perturbations which at the next order act like source terms. Moreover, we confirm that the stability requirements, ensuring the positivity of the kinetic term and the speed of propagation for scalar mode, are automatically satisfied once the viability of the theory is demanded at linear level. The approach we present here will allow to construct, in a model independent way, all the relevant predictions on observables at mildly non-linear scales.

Analyzing Multilevel Data: An Empirical Comparison of Parameter Estimates of Hierarchical Linear Modeling and Ordinary Least Squares Regression

ERIC Educational Resources Information Center

Rocconi, Louis M.

2011-01-01

Hierarchical linear models (HLM) solve the problems associated with the unit of analysis problem such as misestimated standard errors, heterogeneity of regression and aggregation bias by modeling all levels of interest simultaneously. Hierarchical linear modeling resolves the problem of misestimated standard errors by incorporating a unique random…

Counter effect of sucrose on ethanol-induced aggregation of protein.

PubMed

Yadav, Jay Kant; Chandani, N; Pande Prajakt, P R; Chauhan, Jyoti Bala

2010-12-01

The present paper is an attempt to study the mechanism of ethanol induced aggregation of chicken egg albumin and to stabilize the protein against ethanol induced aggregation. The protein aggregation was determined by monitoring the light scattering of protein aggregates spectrophotometrically. The protein undergoes certain structural changes in water-ethanol solution and the degree of aggregation was found to be linearly depending upon the concentration of alcohol used. The intrinsic fluorescence study showed a large blue shift in the λ(max) (16 nm) in the presence of 50% ethanol. The ANS fluorescence intensity was found to be gradually increasing with increasing concentration of ethanol. This indicates an increase in the hydrophobic cluster on the protein surface and as a result the hydrophobic interaction is the major driving force for the aggregate formation. Addition of sucrose significantly reduced the ethanol-induced protein aggregation. In presence of 50% sucrose the ethanol the aggregation was reduced to 5%. The study reveals that addition of sucrose brings out changes in the solvent distribution and prevents the structural changes in protein which lead the aggregation.

Interstellar fossil Mg-26 and its possible relationship to excess meteoritic Mg-26

NASA Technical Reports Server (NTRS)

Clayton, Donald D.

1986-01-01

A plausible scenario is advanced for explainig a linear correlation found in some solar system solids between their Mg-26/Mg-24 isotopic ratios and their Al/Mg elemental abundance ratios. This scenario involves three stages: (1) the mechanical aggregation of an average ensemble of Al-bearing dust particles that is postulated to be modestly enriched in the Al/Mg abundance ratio because the aggregated particles themselves are; (2) the extraction, perhaps but not necessarily by hot distillation, of almost all Mg, leaving an aggregate with a large Al/Mg ratio and a large Mg-26 excess; and (3) the uptake of normal ambient Mg by the resulting hot Al-rich solid as it cools in Mg-rich vapor. A linear correlation in solids between their Mg-26/Mg-24 isotopic ratio and their aluminum enrichment may be a fossil correlation inherited from interstellar dust.

Primary and aggregate color centers in proton irradiated LiF crystals and thin films for luminescent solid state detectors

NASA Astrophysics Data System (ADS)

Piccinini, M.; Ambrosini, F.; Ampollini, A.; Bonfigli, F.; Libera, S.; Picardi, L.; Ronsivalle, C.; Vincenti, M. A.; Montereali, R. M.

2015-04-01

Proton beams of 3 MeV energy, produced by the injector of a linear accelerator for proton therapy, were used to irradiate at room temperature lithium fluoride crystals and polycrystalline thin films grown by thermal evaporation. The irradiation fluence range was 1011-1015 protons/cm2. The proton irradiation induced the stable formation of primary and aggregate color centers. Their formation was investigated by optical absorption and photoluminescence spectroscopy. The F2 and F3+ photoluminescence intensities, carefully measured in LiF crystals and thin films, show linear behaviours up to different maximum values of the irradiation fluence, after which a quenching is observed, depending on the nature of the samples (crystals and films). The Principal Component Analysis, applied to the absorption spectra of colored crystals, allowed to clearly identify the formation of more complex aggregate defects in samples irradiated at highest fluences.

Structural characterization of astaxanthin aggregates as revealed by analysis and simulation of optical spectra

NASA Astrophysics Data System (ADS)

Lu, Liping; Hu, Taoping; Xu, Zhigang

2017-10-01

Carotenoids can self-assemble in hydrated polar solvents to form J- or H-type aggregates, inducing dramatic changes in photophysical properties. Here, we measured absorption and emission spectra of astaxanthin in ethanol-water solution using ultraviolet-visible and fluorescence spectrometers. Two types of aggregates were distinguished in mixed solution at different water contents by absorption spectra. After addition of water, all probed samples immediately formed H-aggregates with maximum blue shift of 31 nm. In addition, J-aggregate was formed in 1:3 ethanol-water solution measured after an hour. Based on Frenkel exciton model, we calculated linear absorption and emission spectra of these aggregates to describe aggregate structures in solution. For astaxanthin, experimental results agreed well with the fitted spectra of H-aggregate models, which consisted of tightly packed stacks of individual molecules, including hexamers, trimers, and dimers. Transition moment of single astaxanthin in ethanol was obtained by Gaussian 09 program package to estimate the distance between molecules in aggregates. Intermolecular distance of astaxanthin aggregates ranges from 0.45 nm to 0.9 nm. Fluorescence analysis showed that between subbands, strong exciton coupling induced rapid relaxation of H-aggregates. This coupling generated larger Stokes shift than monomers and J-aggregates.

A model for the kinetics of homotypic cellular aggregation under static conditions

NASA Technical Reports Server (NTRS)

Neelamegham, S.; Munn, L. L.; Zygourakis, K.; McIntire, L. V. (Principal Investigator)

1997-01-01

We present the formulation and testing of a mathematical model for the kinetics of homotypic cellular aggregation. The model considers cellular aggregation under no-flow conditions as a two-step process. Individual cells and cell aggregates 1) move on the tissue culture surface and 2) collide with other cells (or aggregates). These collisions lead to the formation of intercellular bonds. The aggregation kinetics are described by a system of coupled, nonlinear ordinary differential equations, and the collision frequency kernel is derived by extending Smoluchowski's colloidal flocculation theory to cell migration and aggregation on a two-dimensional surface. Our results indicate that aggregation rates strongly depend upon the motility of cells and cell aggregates, the frequency of cell-cell collisions, and the strength of intercellular bonds. Model predictions agree well with data from homotypic lymphocyte aggregation experiments using Jurkat cells activated by 33B6, an antibody to the beta 1 integrin. Since cell migration speeds and all the other model parameters can be independently measured, the aggregation model provides a quantitative methodology by which we can accurately evaluate the adhesivity and aggregation behavior of cells.

Aggregation of asbestos fibers in water: role of solution chemistry

NASA Astrophysics Data System (ADS)

Wu, L.; Ortiz, C. P.; Jerolmack, D. J.

2016-12-01

Aggregation kinetics and stability of colloidal particles have been extensively studied using bulk techniques such as dynamic light scattering; these techniques involve large ensembles of particles and interpretation of results is difficult when particles are non-spherical and poorly characterized, as is always the case with non-ideal natural hazardous materials such as asbestos fibers. These difficulties hinder greatly progress on fundamental understanding of whether the classic colloidal aggregation theories can be applied to natural materials and how the heterogeneity of particles (e.g., shape) affects the colloidal aggregation kinetics and structure. By using in-situ microscopy and particle tracking techniques, we were able to observe the particle-by-particle growth of aggregated formed by elongated particles (synthetic glass rods and natural asbestos fibers) and demonstrated the rod-shaped geometry induced novel structures and growth dynamics that challenge existing theory. In this study, we continue to use asbestos as model system of elongated colloidal contaminant, and investigate the effects of changing solution chemistry (e.g., ionic strength, pH, and natural organic matter (NOM)), on growth dynamics and aggregates structure. The results show that aggregate growth curves are self-similar with a characteristic timescale that increases with increasing pH. By varying ionic strength for fixed pH values, we determine that the ccc is sensitive to pH. Fractal dimension decreases slightly with increasing pH and decreasing ionic strength, indicating that stronger inter-particle repulsion create sparser aggregates; however, the magnitude of the solution chemistry effects is much smaller than that of colloid shape. In monovalent solutions, regardless of their concentration, HA drastically reduces the aggregation kinetics of asbestos fiber. This work may lead to enhanced prediction of the colloidal contaminants' mobility in the environment, bioavailability, and toxicity to organisms.

High spatial resolution mapping of surface plasmon resonance modes in single and aggregated gold nanoparticles assembled on DNA strands

NASA Astrophysics Data System (ADS)

Diaz-Egea, Carlos; Sigle, Wilfried; van Aken, Peter A.; Molina, Sergio I.

2013-07-01

We present the mapping of the full plasmonic mode spectrum for single and aggregated gold nanoparticles linked through DNA strands to a silicon nitride substrate. A comprehensive analysis of the electron energy loss spectroscopy images maps was performed on nanoparticles standing alone, dimers, and clusters of nanoparticles. The experimental results were confirmed by numerical calculations using the Mie theory and Gans-Mie theory for solving Maxwell's equations. Both bright and dark surface plasmon modes have been unveiled.

Non-Linear Dynamics of Saturn’s Rings

NASA Astrophysics Data System (ADS)

Esposito, Larry W.

2015-11-01

Non-linear processes can explain why Saturn’s rings are so active and dynamic. Ring systems differ from simple linear systems in two significant ways: 1. They are systems of granular material: where particle-to-particle collisions dominate; thus a kinetic, not a fluid description needed. We find that stresses are strikingly inhomogeneous and fluctuations are large compared to equilibrium. 2. They are strongly forced by resonances: which drive a non-linear response, pushing the system across thresholds that lead to persistent states.Some of this non-linearity is captured in a simple Predator-Prey Model: Periodic forcing from the moon causes streamline crowding; This damps the relative velocity, and allows aggregates to grow. About a quarter phase later, the aggregates stir the system to higher relative velocity and the limit cycle repeats each orbit.Summary of Halo Results: A predator-prey model for ring dynamics produces transient structures like ‘straw’ that can explain the halo structure and spectroscopy: This requires energetic collisions (v ≈ 10m/sec, with throw distances about 200km, implying objects of scale R ≈ 20km).Transform to Duffing Eqn : With the coordinate transformation, z = M2/3, the Predator-Prey equations can be combined to form a single second-order differential equation with harmonic resonance forcing.Ring dynamics and history implications: Moon-triggered clumping at perturbed regions in Saturn’s rings creates both high velocity dispersion and large aggregates at these distances, explaining both small and large particles observed there. We calculate the stationary size distribution using a cell-to-cell mapping procedure that converts the phase-plane trajectories to a Markov chain. Approximating the Markov chain as an asymmetric random walk with reflecting boundaries allows us to determine the power law index from results of numerical simulations in the tidal environment surrounding Saturn. Aggregates can explain many dynamic aspects of the rings and can renew rings by shielding and recycling the material within them, depending on how long the mass is sequestered. We can ask: Are Saturn’s rings a chaotic non-linear driven system?

Discrete stochastic charging of aggregate grains

NASA Astrophysics Data System (ADS)

Matthews, Lorin S.; Shotorban, Babak; Hyde, Truell W.

2018-05-01

Dust particles immersed in a plasma environment become charged through the collection of electrons and ions at random times, causing the dust charge to fluctuate about an equilibrium value. Small grains (with radii less than 1 μm) or grains in a tenuous plasma environment are sensitive to single additions of electrons or ions. Here we present a numerical model that allows examination of discrete stochastic charge fluctuations on the surface of aggregate grains and determines the effect of these fluctuations on the dynamics of grain aggregation. We show that the mean and standard deviation of charge on aggregate grains follow the same trends as those predicted for spheres having an equivalent radius, though aggregates exhibit larger variations from the predicted values. In some plasma environments, these charge fluctuations occur on timescales which are relevant for dynamics of aggregate growth. Coupled dynamics and charging models show that charge fluctuations tend to produce aggregates which are much more linear or filamentary than aggregates formed in an environment where the charge is stationary.

Reconciling the understanding of 'hydrophobicity' with physics-based models of proteins.

PubMed

Harris, Robert C; Pettitt, B Montgomery

2016-03-02

The idea that a 'hydrophobic energy' drives protein folding, aggregation, and binding by favoring the sequestration of bulky residues from water into the protein interior is widespread. The solvation free energies (ΔGsolv) of small nonpolar solutes increase with surface area (A), and the free energies of creating macroscopic cavities in water increase linearly with A. These observations seem to imply that there is a hydrophobic component (ΔGhyd) of ΔGsolv that increases linearly with A, and this assumption is widely used in implicit solvent models. However, some explicit-solvent molecular dynamics studies appear to contradict these ideas. For example, one definition (ΔG(LJ)) of ΔGhyd is that it is the free energy of turning on the Lennard-Jones (LJ) interactions between the solute and solvent. However, ΔG(LJ) decreases with A for alanine and glycine peptides. Here we argue that these apparent contradictions can be reconciled by defining ΔGhyd to be a near hard core insertion energy (ΔGrep), as in the partitioning proposed by Weeks, Chandler, and Andersen. However, recent results have shown that ΔGrep is not a simple function of geometric properties of the molecule, such as A and the molecular volume, and that the free energy of turning on the attractive part of the LJ potential cannot be computed from first-order perturbation theory for proteins. The theories that have been developed from these assumptions to predict ΔGhyd are therefore inadequate for proteins.

Effects of Inter- and Intra-aggregate Pore Space on the Soil-Gas Diffusivity Behavior in Unsaturated, Undisturbed Volcanic Ash Soils

NASA Astrophysics Data System (ADS)

Resurreccion, A. C.; Kawamoto, K.; Komatsu, T.; Moldrup, P.

2006-12-01

Volcanic ash soils (Andisols) have a unique dual porosity structure that results in good drainage and high soil- water retention. Despite of the complicated and highly developed soil structure, recent studies have reported a simple, highly linear relation between the soil-gas diffusion coefficient, Dp, and the soil-air content, ɛ, for several Japanese Andisols. In this study, we explain the linear Dp(ɛ) behavior from the effects of the inter- and intra-aggregate pore-size distributions. We couple the bimodal van Genuchten soil-water retention model with a general Dp(ɛ) model, ɛ^{X}, allowing the tortuosity- connectivity factor X to vary with pF (= log(-ψ; the soil-water matric potential in cm H2O)). Measured data suggest that the tortuosity-connectivity parameter X is at the minimum at pF 3 (where X ~ 2, following Buckingham, 1904), equal to the water retention point where a separation of inter- and intra-aggregate effects on Dp is observed. At pF < 3, the X values increased as pF decreased because of inactive/remote air-filled pore space entrapped by the inter-connected water films between inter-aggregate pore spaces. At pF > 3, X increased to a high value at very dry conditions due to remote air-filled space inside the intra-aggregate pores. By combining the complex dual porosity soil-water retention model with the power- law gas diffusivity model using a parabolic X(pF) function, the surprisingly simple linear behavior of Dp with ɛ was captured while the variation of Dp with pF followed a dual s-shaped curve similar to the water retention curve. A simple linear model to predict Dp(ɛ) is suggested, with slope C and threshold soil-air content, ɛth, calculated from the power-law model ɛ^{X} at pF 2 (near field capacity) and at pF 4.1 (near wilting point) using the same X value (= 2.3) at both pF in agreement with measured data. This linear Dp(ɛ) model performed better, especially at dry conditions, compared to the traditionally-used predictive models when tested against several independent Andisol datasets from literature.

The effects of buoyancy on shear-induced melt bands in a compacting porous medium

NASA Astrophysics Data System (ADS)

Butler, S. L.

2009-03-01

It has recently been shown [Holtzman, B., Groebner, N., Zimmerman, M., Ginsberg, S., Kohlstedt, D., 2003. Stress-driven melt segregation in partially molten rocks. Geochem. Geophys. Geosyst. 4, Art. No. 8607; Holtzman, B.K., Kohlstedt, D.L., 2007. Stress-driven melt segregation and strain partitioning in partially molten rocks: effects of stress and strain. J. Petrol. 48, 2379-2406] that when partially molten rock is subjected to simple shear, bands of high and low porosity are formed at a particular angle to the direction of instantaneous maximum extension. These have been modeled numerically and it has been speculated that high porosity bands may form an interconnected network with a bulk, effective permeability that is enhanced in a direction parallel to the bands. As a result, the bands may act to focus mantle melt towards the axis of mid-ocean ridges [Katz, R.F., Spiegelman, M., Holtzman, B., 2006. The dynamics of melt and shear localization in partially molten aggregates. Nature 442, 676-679]. In this contribution, we examine the combined effects of buoyancy and matrix shear on a deforming porous layer. The linear theory of Spiegelman [Spiegelman, M., 1993. Flow in deformable porous media. Part 1. Simple analysis. J. Fluid Mech. 247, 17-38; Spiegelman, M., 2003. Linear analysis of melt band formation by simple shear. Geochem. Geophys. Geosyst. 4, doi:10.1029/2002GC000499, Article 8615] and Katz et al. [Katz, R.F., Spiegelman, M., Holtzman, B., 2006. The dynamics of melt and shear localization in partially molten aggregates. Nature 442, 676-679] is generalized to include both the effects of buoyancy and matrix shear on a deformable porous layer with strain-rate dependent rheology. The predictions of linear theory are compared with the early time evolution of our 2D numerical model and they are found to be in excellent agreement. For conditions similar to the upper mantle, buoyancy forces can be similar to or much greater than matrix shear-induced forces. The results of the numerical model indicate that bands form when buoyancy forces are large and that these can significantly alter the direction of the flow of liquid away from vertical. The bands form at angles similar to the angle of maximum instantaneous growth rate. Consequently, for strongly strain-rate dependent rheology, there may be two sets of bands formed that are symmetric about the direction of maximum compressive stress in the background mantle flow. This second set of bands would reduce the efficiency with which melt bands would focus melts towards the ridge axis.

Network Aggregation in Transportation Planning : Volume II : A Fixed Point Method for Treating Traffic Equilibria

DOT National Transportation Integrated Search

1978-04-01

Volume 2 defines a new algorithm for the network equilibrium model that works in the space of path flows and is based on the theory of fixed point method. The goals of the study were broadly defined as the identification of aggregation practices and ...

Lumpy Demand and the Diagrammatics of Aggregation.

ERIC Educational Resources Information Center

Shmanske, Stephen; Packey, Daniel

1999-01-01

Illustrates how a simple discontinuity in an individual's demand curve, or inverse-demand curve, affects the shape of market aggregate curves. Shows, for private goods, that an infinitesimal change in quantity can lead to large changes in consumption patterns; for collective goods, the analysis suggests a theory of coalition building. (DSK)

Statistical Inference for Cultural Consensus Theory

DTIC Science & Technology

2014-02-24

Social Network Conference XXXII , Redondo Beach, California, March 2012. Agrawal, K. (Presenter), and Batchelder, W. H. Cultural Consensus Theory...Aggregating Complete Signed Graphs Under a Balance Constraint -- Part 2. International Sunbelt Social Network Conference XXXII , Redondo Beach

50 CFR 29.21-2 - Application procedures.

Code of Federal Regulations, 2014 CFR

2014-10-01

...) State of local governments or agencies or instrumentalities thereof except as to rights-of-way... schedule: (A) For linear facilities (e.g., powerlines, pipelines, roads, etc.). Length Payment Less than 5... application includes both linear and nonlinear facilities, payment will be the aggregate of amounts under...

50 CFR 29.21-2 - Application procedures.

Code of Federal Regulations, 2013 CFR

2013-10-01

...) State of local governments or agencies or instrumentalities thereof except as to rights-of-way... schedule: (A) For linear facilities (e.g., powerlines, pipelines, roads, etc.). Length Payment Less than 5... application includes both linear and nonlinear facilities, payment will be the aggregate of amounts under...

Crime, shame, reintegration, and cross-national homicide: a partial test of reintegrative shaming theory.

PubMed

Schaible, Lonnie M; Hughes, Lorine A

2011-01-01

Reintegrative shaming theory (RST) argues that social aggregates characterized by high levels of communitarianism and nonstigmatizing shaming practices benefit from relatively low levels of crime. We combine aggregate measures from the World Values Survey with available macro-level data to test this hypothesis. Additionally, we examine the extent to which communitarianism and shaming mediate the effects of cultural and structural factors featured prominently in other macro-level theoretical frameworks (e.g., inequality, modernity, sex ratio, etc.). Findings provide some support for RST, showing homicide to vary with societal levels of communitarianism and informal stigmatization. However, while the effects of modernity and sex ratio were mediated by RST processes, suppression was indicated for economic inequality. Implications for theory and research are discussed.

Validation of the Short Gambling Harm Screen (SGHS): A Tool for Assessment of Harms from Gambling.

PubMed

Browne, Matthew; Goodwin, Belinda C; Rockloff, Matthew J

2018-06-01

It is common for jurisdictions tasked with minimising gambling-related harm to conduct problem gambling prevalence studies for the purpose of monitoring the impact of gambling on the community. However, given that both public health theory and empirical findings suggest that harms can occur without individuals satisfying clinical criteria of addiction, there is a recognized conceptual disconnect between the prevalence of clinical problem gamblers, and aggregate harm to the community. Starting with an initial item pool of 72 specific harms caused by problematic gambling, our aim was to develop a short gambling harms scale (SGHS) to screen for the presence and degree of harm caused by gambling. An Internet panel of 1524 individuals who had gambled in the last year completed a 72-item checklist, along with the Personal Wellbeing Index, the PGSI, and other measures. We selected 10 items for the SGHS, with the goals of maximising sensitivity and construct coverage. Psychometric analysis suggests very strong reliability, homogeneity and unidimensionality. Non-zero responses on the SGHS were associated with a large decrease in personal wellbeing, with wellbeing decreasing linearly with the number of harms indicated. We conclude that weighted SGHS scores can be aggregated at the population level to yield a sensitive and valid measure of gambling harm.

Macro and micro rate zonal analytical centrifugation of polydisperse and slowly diffusing sedimenting systems in isovolumetric density gradients. Application to cartilage proteoglycans.

PubMed

Müller, F J; Pezon, C F; Pita, J C

1989-06-13

A method to study the polydispersity of zonally sedimenting and slowly diffusing macromolecules or particles in isokinetic or isovolumetric density gradients is presented. First, a brief theory is given for predicting the zonal profile after a "triangular" (or "inverse") zone is centrifuged. This type of zone is essential to preserve hydrodynamic stability of the very slowly diffusing polydisperse solutes. It is proven, both by semitheoretical considerations and by computer calculations, that the resulting concentration profile of macrosolute is almost identical with that obtainable with a rectangular zone coextensive with the triangular one and carrying the same total mass. Next, practical procedures are described for the convectionless layering of very small triangular zones (50 microL or less). The linearity and stability of the zones are experimentally tested and verified. Finally, the method is applied to cartilage proteoglycan preparations that included either the monomeric molecules only or both the monomeric and the aggregated ones. The zonal results are compared with those obtained by using conventional boundary sedimentation. The two sets of results are seen to coincide fairly well, thus proving that the present technique can add to preparative zonal centrifugation the analytical precision of boundary sedimentation. A multimodal polydisperse system is suggested to describe the aggregated proteoglycan macromolecules.

Non-Linear Dynamics of Saturn's Rings

NASA Astrophysics Data System (ADS)

Esposito, L. W.

2015-12-01

Non-linear processes can explain why Saturn's rings are so active and dynamic. Some of this non-linearity is captured in a simple Predator-Prey Model: Periodic forcing from the moon causes streamline crowding; This damps the relative velocity, and allows aggregates to grow. About a quarter phase later, the aggregates stir the system to higher relative velocity and the limit cycle repeats each orbit, with relative velocity ranging from nearly zero to a multiple of the orbit average: 2-10x is possible. Summary of Halo Results: A predator-prey model for ring dynamics produces transient structures like 'straw' that can explain the halo structure and spectroscopy: Cyclic velocity changes cause perturbed regions to reach higher collision speeds at some orbital phases, which preferentially removes small regolith particles; Surrounding particles diffuse back too slowly to erase the effect: this gives the halo morphology; This requires energetic collisions (v ≈ 10m/sec, with throw distances about 200km, implying objects of scale R ≈ 20km); We propose 'straw', as observed ny Cassini cameras. Transform to Duffing Eqn : With the coordinate transformation, z = M2/3, the Predator-Prey equations can be combined to form a single second-order differential equation with harmonic resonance forcing. Ring dynamics and history implications: Moon-triggered clumping at perturbed regions in Saturn's rings creates both high velocity dispersion and large aggregates at these distances, explaining both small and large particles observed there. This confirms the triple architecture of ring particles: a broad size distribution of particles; these aggregate into temporary rubble piles; coated by a regolith of dust. We calculate the stationary size distribution using a cell-to-cell mapping procedure that converts the phase-plane trajectories to a Markov chain. Approximating the Markov chain as an asymmetric random walk with reflecting boundaries allows us to determine the power law index from results of numerical simulations in the tidal environment surrounding Saturn. Aggregates can explain many dynamic aspects of the rings and can renew rings by shielding and recycling the material within them, depending on how long the mass is sequestered. We can ask: Are Saturn's rings a chaotic non-linear driven system?

Non-linear interaction of a detonation/vorticity wave

NASA Technical Reports Server (NTRS)

Lasseigne, D. G.; Jackson, T. L.; Hussaini, M. Y.

1991-01-01

The interaction of an oblique, overdriven detonation wave with a vorticity disturbance is investigated by a direct two-dimensional numerical simulation using a multi-domain, finite-difference solution of the compressible Euler equations. The results are compared to those of linear theory, which predict that the effect of exothermicity on the interaction is relatively small except possibly near a critical angle where linear theory no longer holds. It is found that the steady-state computational results agree with the results of linear theory. However, for cases with incident angle near the critical angle, moderate disturbance amplitudes, and/or sudden transient encounter with a disturbance, the effects of exothermicity are more pronounced than predicted by linear theory. Finally, it is found that linear theory correctly determines the critical angle.

Social complexity, modernity and suicide: an assessment of Durkheim's suicide from the perspective of a non-linear analysis of complex social systems.

PubMed

Condorelli, Rosalia

2016-01-01

Can we share even today the same vision of modernity which Durkheim left us by its suicide analysis? or can society 'surprise us'? The answer to these questions can be inspired by several studies which found that beginning the second half of the twentieth century suicides in western countries more industrialized and modernized do not increase in a constant, linear way as modernization and social fragmentation process increases, as well as Durkheim's theory seems to lead us to predict. Despite continued modernizing process, they found stabilizing or falling overall suicide rate trends. Therefore, a gradual process of adaptation to the stress of modernization associated to low social integration levels seems to be activated in modern society. Assuming this perspective, the paper highlights as this tendency may be understood in the light of the new concept of social systems as complex adaptive systems, systems which are able to adapt to environmental perturbations and generate as a whole surprising, emergent effects due to nonlinear interactions among their components. So, in the frame of Nonlinear Dynamical System Modeling, we formalize the logic of suicide decision-making process responsible for changes at aggregate level in suicide growth rates by a nonlinear differential equation structured in a logistic way, and in so doing we attempt to capture the mechanism underlying the change process in suicide growth rate and to test the hypothesis that system's dynamics exhibits a restrained increase process as expression of an adaptation process to the liquidity of social ties in modern society. In particular, a Nonlinear Logistic Map is applied to suicide data in a modern society such as the Italian one from 1875 to 2010. The analytic results, seeming to confirm the idea of the activation of an adaptation process to the liquidity of social ties, constitutes an opportunity for a more general reflection on the current configuration of modern society, by relating the Durkheimian Theory with the Halbwachs' Theory and most current visions of modernity such as the Baumanian one. Complexity completes the interpretative framework by rooting the generating mechanism of adaptation process in the precondition of a new General Theory of Systems making the non linearity property of social system's interactions and surprise the functioning and evolution rule of social systems.

Behavioural social choice: a status report.

PubMed

Regenwetter, Michel; Grofman, Bernard; Popova, Anna; Messner, William; Davis-Stober, Clintin P; Cavagnaro, Daniel R

2009-03-27

Behavioural social choice has been proposed as a social choice parallel to seminal developments in other decision sciences, such as behavioural decision theory, behavioural economics, behavioural finance and behavioural game theory. Behavioural paradigms compare how rational actors should make certain types of decisions with how real decision makers behave empirically. We highlight that important theoretical predictions in social choice theory change dramatically under even minute violations of standard assumptions. Empirical data violate those critical assumptions. We argue that the nature of preference distributions in electorates is ultimately an empirical question, which social choice theory has often neglected. We also emphasize important insights for research on decision making by individuals. When researchers aggregate individual choice behaviour in laboratory experiments to report summary statistics, they are implicitly applying social choice rules. Thus, they should be aware of the potential for aggregation paradoxes. We hypothesize that such problems may substantially mar the conclusions of a number of (sometimes seminal) papers in behavioural decision research.

The single scattering properties of soot aggregates with concentric core-shell spherical monomers

NASA Astrophysics Data System (ADS)

Wu, Yu; Cheng, Tianhai; Gu, Xingfa; Zheng, Lijuan; Chen, Hao; Xu, Hui

2014-03-01

Anthropogenic soot aerosols are shown as complex, fractal-like aggregated structures with high light absorption efficiency. In atmospheric environment, soot monomers may tend to acquire a weakly absorbing coating, such as an organic coating, which introduces further complexity to the optical properties of the aggregates. The single scattering properties of soot aggregates can be significantly influenced by the coated status of these kinds of aerosols. In this article, the monomers of fractal soot aggregates are modelled as semi-external mixtures (physical contact) with constant radius of soot core and variable sizes of the coating for specific soot volume fractions. The single scattering properties of these coated soot particles, such as phase function, the cross sections of extinction and absorption, single scattering albedo (SSA) and asymmetry parameter (ASY), are calculated using the numerically exact superposition T-matrix method. The random-orientation averaging results have shown that the single scattering properties of these coated soot aggregates are significantly different from the single volume-equivalent core-shell sphere approximation using the Mie theory and the homogeneous aggregates with uncoated monomers using the effective medium theory, such as Maxwell-Garnett and Bruggemann approximations, which overestimate backscattering of coated soot. It is found that the SSA and cross sections of extinction and absorption are increased for soot aggregates with thicker weakly absorbing coating on the monomers. Especially, the SSA values of these simulated aggregates with less soot core volume fractions are remarkably (~50% for core volume fraction of soot aggregates of 0.5, ~100% for a core volume fraction of 0.2, at 0.67 μm) larger than for uncoated soot particles without consideration of coating. Moreover, the cross sections of extinction and absorption are underestimated by the computation of equivalent homogeneous fractal aggregate approximation (within 5% for the T-matrix method and 10-25% for the Rayleigh-Debye-Gans approximation due to different soot volume fractions). Further understanding of the optical properties of these coated soot aggregates would be helpful for both environment monitoring and climate studies.

Graph Theory and Ion and Molecular Aggregation in Aqueous Solutions.

PubMed

Choi, Jun-Ho; Lee, Hochan; Choi, Hyung Ran; Cho, Minhaeng

2018-04-20

In molecular and cellular biology, dissolved ions and molecules have decisive effects on chemical and biological reactions, conformational stabilities, and functions of small to large biomolecules. Despite major efforts, the current state of understanding of the effects of specific ions, osmolytes, and bioprotecting sugars on the structure and dynamics of water H-bonding networks and proteins is not yet satisfactory. Recently, to gain deeper insight into this subject, we studied various aggregation processes of ions and molecules in high-concentration salt, osmolyte, and sugar solutions with time-resolved vibrational spectroscopy and molecular dynamics simulation methods. It turns out that ions (or solute molecules) have a strong propensity to self-assemble into large and polydisperse aggregates that affect both local and long-range water H-bonding structures. In particular, we have shown that graph-theoretical approaches can be used to elucidate morphological characteristics of large aggregates in various aqueous salt, osmolyte, and sugar solutions. When ion and molecular aggregates in such aqueous solutions are treated as graphs, a variety of graph-theoretical properties, such as graph spectrum, degree distribution, clustering coefficient, minimum path length, and graph entropy, can be directly calculated by considering an ensemble of configurations taken from molecular dynamics trajectories. Here we show percolating behavior exhibited by ion and molecular aggregates upon increase in solute concentration in high solute concentrations and discuss compelling evidence of the isomorphic relation between percolation transitions of ion and molecular aggregates and water H-bonding networks. We anticipate that the combination of graph theory and molecular dynamics simulation methods will be of exceptional use in achieving a deeper understanding of the fundamental physical chemistry of dissolution and in describing the interplay between the self-aggregation of solute molecules and the structure and dynamics of water.

Graph Theory and Ion and Molecular Aggregation in Aqueous Solutions

NASA Astrophysics Data System (ADS)

Choi, Jun-Ho; Lee, Hochan; Choi, Hyung Ran; Cho, Minhaeng

2018-04-01

In molecular and cellular biology, dissolved ions and molecules have decisive effects on chemical and biological reactions, conformational stabilities, and functions of small to large biomolecules. Despite major efforts, the current state of understanding of the effects of specific ions, osmolytes, and bioprotecting sugars on the structure and dynamics of water H-bonding networks and proteins is not yet satisfactory. Recently, to gain deeper insight into this subject, we studied various aggregation processes of ions and molecules in high-concentration salt, osmolyte, and sugar solutions with time-resolved vibrational spectroscopy and molecular dynamics simulation methods. It turns out that ions (or solute molecules) have a strong propensity to self-assemble into large and polydisperse aggregates that affect both local and long-range water H-bonding structures. In particular, we have shown that graph-theoretical approaches can be used to elucidate morphological characteristics of large aggregates in various aqueous salt, osmolyte, and sugar solutions. When ion and molecular aggregates in such aqueous solutions are treated as graphs, a variety of graph-theoretical properties, such as graph spectrum, degree distribution, clustering coefficient, minimum path length, and graph entropy, can be directly calculated by considering an ensemble of configurations taken from molecular dynamics trajectories. Here we show percolating behavior exhibited by ion and molecular aggregates upon increase in solute concentration in high solute concentrations and discuss compelling evidence of the isomorphic relation between percolation transitions of ion and molecular aggregates and water H-bonding networks. We anticipate that the combination of graph theory and molecular dynamics simulation methods will be of exceptional use in achieving a deeper understanding of the fundamental physical chemistry of dissolution and in describing the interplay between the self-aggregation of solute molecules and the structure and dynamics of water.

Model for amorphous aggregation processes

NASA Astrophysics Data System (ADS)

Stranks, Samuel D.; Ecroyd, Heath; van Sluyter, Steven; Waters, Elizabeth J.; Carver, John A.; von Smekal, Lorenz

2009-11-01

The amorphous aggregation of proteins is associated with many phenomena, ranging from the formation of protein wine haze to the development of cataract in the eye lens and the precipitation of recombinant proteins during their expression and purification. While much literature exists describing models for linear protein aggregation, such as amyloid fibril formation, there are few reports of models which address amorphous aggregation. Here, we propose a model to describe the amorphous aggregation of proteins which is also more widely applicable to other situations where a similar process occurs, such as in the formation of colloids and nanoclusters. As first applications of the model, we have tested it against experimental turbidimetry data of three proteins relevant to the wine industry and biochemistry, namely, thaumatin, a thaumatinlike protein, and α -lactalbumin. The model is very robust and describes amorphous experimental data to a high degree of accuracy. Details about the aggregation process, such as shape parameters of the aggregates and rate constants, can also be extracted.

Waves and aggregation patterns in myxobacteria

NASA Astrophysics Data System (ADS)

Igoshin, Oleg A.; Welch, Roy; Kaiser, Dale; Oster, George

2004-03-01

Under starvation conditions, a population of myxobacteria aggregates to build a fruiting body whose shape is species-specific and within which the cells sporulate. Early in this process, cells often pass through a "ripple phase" characterized by traveling linear, concentric, and spiral waves. These waves are different from the waves observed during slime mold aggregation that depend on diffusible morphogens, because myxobacteria communicate by direct contact. The difference is most dramatic when waves collide: rather than annihilating one another, myxobacterial waves appear to pass through one another unchanged. Under certain conditions, the spacing and location of the nascent fruiting bodies is determined by the wavelength and pattern of the waves. Later in fruiting body development, waves are replaced by streams of cells that circulate around small initial aggregates enlarging and rounding them. Still later, pairs of motile aggregates coalesce to form larger aggregates that develop into fruiting bodies. Here we present a mathematical model that quantitatively explains these wave and aggregation phenomena.

Tensile strength and fracture of cemented granular aggregates.

PubMed

Affes, R; Delenne, J-Y; Monerie, Y; Radjaï, F; Topin, V

2012-11-01

Cemented granular aggregates include a broad class of geomaterials such as sedimentary rocks and some biomaterials such as the wheat endosperm. We present a 3D lattice element method for the simulation of such materials, modeled as a jammed assembly of particles bound together by a matrix partially filling the interstitial space. From extensive simulation data, we analyze the mechanical properties of aggregates subjected to tensile loading as a function of matrix volume fraction and particle-matrix adhesion. We observe a linear elastic behavior followed by a brutal failure along a fracture surface. The effective stiffness before failure increases almost linearly with the matrix volume fraction. We show that the tensile strength of the aggregates increases with both the increasing tensile strength at the particle-matrix interface and decreasing stress concentration as a function of matrix volume fraction. The proportion of broken bonds in the particle phase reveals a range of values of the particle-matrix adhesion and matrix volume fraction for which the cracks bypass the particles and hence no particle damage occurs. This limit is shown to depend on the relative toughness of the particle-matrix interface with respect to the particles.

Tannin-assisted aggregation of natively unfolded proteins

NASA Astrophysics Data System (ADS)

Zanchi, D.; Narayanan, T.; Hagenmuller, D.; Baron, A.; Guyot, S.; Cabane, B.; Bouhallab, S.

2008-06-01

Tannin-protein interactions are essentially physical: hydrophobic and hydrogen-bond-mediated. We explored the tannin-assisted protein aggregation on the case of β-casein, which is a natively unfolded protein known for its ability to form micellar aggregates. We used several tannins with specified length. Our SAXS results show that small tannins increase the number of proteins per micelle, but keeping their size constant. It leads to a tannin-assisted compactization of micelles. Larger tannins, with linear dimensions greater than the crown width of micelles, lead to the aggregation of micelles by a bridging effect. Experimental results can be understood within a model where tannins are treated as effective enhancers of hydrophobic attraction between specific sites in proteins.

Ring aggregation pattern of metro passenger trips: A study using smart card data

NASA Astrophysics Data System (ADS)

Wang, Ziyang; Hu, Yuxin; Zhu, Peng; Qin, Yong; Jia, Limin

2018-02-01

With the widespread implementation of smart cards and with more travel details being recorded, travel patterns can be studied more precisely and deeply. Although considerable attention has been paid to travel patterns, the relationship between travel patterns and the functional structure of a city is yet to be well understood. In this research, we study this relationship by analysing metro passenger trip data (in Beijing and Shenzhen in China and London in the United Kingdom), and we present two unprecedented findings. First, through averaging, a linear relationship is found to exist between individual travel distance and the distance between the origin and the city centre. The underlying mechanism is a travel pattern we call "ring aggregation", i.e., the daily movement of city passengers is aggregated into a ring (with approximately equal distances to the city centre). Then, for commuting trips, the daily travel pattern can be regarded as switching between the outer residential ring and the inner work ring. Second, this linear relationship and the ring aggregation pattern seem to be exclusive characteristics of metro systems (and may also fit other moderate- and long-distance transportation modes) but do not apply to short-distance transportation modes, such as bicycles and taxis. This finding implies that the ring aggregation pattern is a product of the relationship between travel patterns and the city functional structure at a large scope.

A Paradigm Regained: Conflict Perspective on Language Use in Bilingual Educational and Social Contexts.

ERIC Educational Resources Information Center

Williams, Eddie

The validity of the consensus paradigm dominant in sociolinguistics is questioned. Social scientists working in this paradigm take the perspective of society as an aggregate operating through agreement between its constituent elements, working to the benefit of the aggregate. The best-known of the consensus-oriented theories is…

Investigating the mechanism of aggregation of colloidal particles during electrophoretic deposition

NASA Astrophysics Data System (ADS)

Guelcher, Scott Arthur

Charged particles deposited near an electrode aggregate to form ordered clusters in the presence of both dc and ac applied electric fields. The aggregation process could have important applications in areas such as coatings technology and ceramics processing. This thesis has sought to identify the phenomena driving the aggregation process. According to the electroosmotic flow developed by Solomentsev et al. (1997), aggregation in dc electric fields is caused by convection in the electroosmotic flow about deposited particles, and it is therefore an electrokinetic phenomenon which scales linearly with the electric field and the zeta-potential of the particles. Trajectories of pairs of particles aggregating to form doublets have been shown to scale linearly with the electric field and the zeta-potential of the particles, as predicted by the electroosmotic flow model. Furthermore, quantitative agreement has been demonstrated between the experimental and calculated trajectories for surface-to-surface separation distances between the particles ranging from one to two radii. The trajectories were calculated from the electroosmotic flow model with no fitting parameters; the only inputs to the model were the mobility of the deposited particles, the zeta- potential of the particles, and the applied electric field, all of which were measured independently. Clustering of colloidal particles deposited near an electrode in ac fields has also been observed, but a suitable model for the aggregation process has not been proposed and quantitative data in the literature are scarce. Trajectories of pairs of particles aggregating to form doublets in an ac field have been shown to scale with the root-mean-square (rms) electric field raised to the power 1.4 over the range of electric fields 10-35 V/cm (100-Hz sine and square waves). The aggregation is also frequency dependent; the doublets aggregate fastest at 30 Hz (square wave) and slowest at 500 Hz (square wave), while the interaction is repulsive at 1 kHz (square wave). The advantage of ac fields is that the process can operated at frequencies sufficiently high to avoid the negative effects of electrochemical reactions.

Quantum corrections to the generalized Proca theory via a matter field

NASA Astrophysics Data System (ADS)

Amado, André; Haghani, Zahra; Mohammadi, Azadeh; Shahidi, Shahab

2017-09-01

We study the quantum corrections to the generalized Proca theory via matter loops. We consider two types of interactions, linear and nonlinear in the vector field. Calculating the one-loop correction to the vector field propagator, three- and four-point functions, we show that the non-linear interactions are harmless, although they renormalize the theory. The linear matter-vector field interactions introduce ghost degrees of freedom to the generalized Proca theory. Treating the theory as an effective theory, we calculate the energy scale up to which the theory remains healthy.

Investigation of Aggregates as a Model for Titan's Aerosols Using Microwave Analog Experiments and Radiative Transfer Theory

NASA Astrophysics Data System (ADS)

Thomas-Osip, J. E.; Gustafson, B. Å. S.

1996-09-01

It has been suggested that the aerosols in the atmosphere of Titan have an aggregate morphology (Bar-Nun et al., 1988: West and Smith, 1991). Previous studies were based on formulations of the Discrete Dipole Approximation to calculate the single scattering properties of such aggregates. These studies were limited in the size of the individual spheres and total size of the aggregate. We present microwave to light analog scattering measurements and radiative transfer calculations for aggregates of 250-500 individual spheres near the Raleigh size limit in a plane parallel atmosphere. The advantages of using microwave analog experiments include the possibility of investigating a broad range of particle sizes and morphologies.

Block-accelerated aggregation multigrid for Markov chains with application to PageRank problems

NASA Astrophysics Data System (ADS)

Shen, Zhao-Li; Huang, Ting-Zhu; Carpentieri, Bruno; Wen, Chun; Gu, Xian-Ming

2018-06-01

Recently, the adaptive algebraic aggregation multigrid method has been proposed for computing stationary distributions of Markov chains. This method updates aggregates on every iterative cycle to keep high accuracies of coarse-level corrections. Accordingly, its fast convergence rate is well guaranteed, but often a large proportion of time is cost by aggregation processes. In this paper, we show that the aggregates on each level in this method can be utilized to transfer the probability equation of that level into a block linear system. Then we propose a Block-Jacobi relaxation that deals with the block system on each level to smooth error. Some theoretical analysis of this technique is presented, meanwhile it is also adapted to solve PageRank problems. The purpose of this technique is to accelerate the adaptive aggregation multigrid method and its variants for solving Markov chains and PageRank problems. It also attempts to shed some light on new solutions for making aggregation processes more cost-effective for aggregation multigrid methods. Numerical experiments are presented to illustrate the effectiveness of this technique.

Aggregate Size Dependence of Amyloid Adsorption onto Charged Interfaces

PubMed Central

2017-01-01

Amyloid aggregates are associated with a range of human neurodegenerative disorders, and it has been shown that neurotoxicity is dependent on aggregate size. Combining molecular simulation with analytical theory, a predictive model is proposed for the adsorption of amyloid aggregates onto oppositely charged surfaces, where the interaction is governed by an interplay between electrostatic attraction and entropic repulsion. Predictions are experimentally validated against quartz crystal microbalance–dissipation experiments of amyloid beta peptides and fragmented fibrils in the presence of a supported lipid bilayer. Assuming amyloids as rigid, elongated particles, we observe nonmonotonic trends for the extent of adsorption with respect to aggregate size and preferential adsorption of smaller aggregates over larger ones. Our findings describe a general phenomenon with implications for stiff polyions and rodlike particles that are electrostatically attracted to a surface. PMID:29284092

Continuum modeling of twinning, amorphization, and fracture: theory and numerical simulations

NASA Astrophysics Data System (ADS)

Clayton, J. D.; Knap, J.

2018-03-01

A continuum mechanical theory is used to model physical mechanisms of twinning, solid-solid phase transformations, and failure by cavitation and shear fracture. Such a sequence of mechanisms has been observed in atomic simulations and/or experiments on the ceramic boron carbide. In the present modeling approach, geometric quantities such as the metric tensor and connection coefficients can depend on one or more director vectors, also called internal state vectors. After development of the general nonlinear theory, a first problem class considers simple shear deformation of a single crystal of this material. For homogeneous fields or stress-free states, algebraic systems or ordinary differential equations are obtained that can be solved by numerical iteration. Results are in general agreement with atomic simulation, without introduction of fitted parameters. The second class of problems addresses the more complex mechanics of heterogeneous deformation and stress states involved in deformation and failure of polycrystals. Finite element calculations, in which individual grains in a three-dimensional polycrystal are fully resolved, invoke a partially linearized version of the theory. Results provide new insight into effects of crystal morphology, activity or inactivity of different inelasticity mechanisms, and imposed deformation histories on strength and failure of the aggregate under compression and shear. The importance of incorporation of inelastic shear deformation in realistic models of amorphization of boron carbide is noted, as is a greater reduction in overall strength of polycrystals containing one or a few dominant flaws rather than many diffusely distributed microcracks.

A Resume of Stochastic, Time-Varying, Linear System Theory with Application to Active-Sonar Signal-Processing Problems

DTIC Science & Technology

1981-06-15

relationships 5 3. Normalized energy in ambiguity function for i = 0 14 k ilI SACLANTCEN SR-50 A RESUME OF STOCHASTIC, TIME-VARYING, LINEAR SYSTEM THEORY WITH...the order in which systems are concatenated is unimportant. These results are exactly analogous to the results of time-invariant linear system theory in...REFERENCES 1. MEIER, L. A rdsum6 of deterministic time-varying linear system theory with application to active sonar signal processing problems, SACLANTCEN

Formation of thermally induced aggregates of the soya globulin beta-conglycinin.

PubMed

Mills, E N; Huang, L; Noel, T R; Gunning, A P; Morris, V J

2001-06-11

The effect of ionic strength (I) on the formation of thermally induced aggregates by the 7S globular storage protein of soya, beta-conglycinin, has been studied using atomic force microscopy. Aggregates were only apparent when I> or =0.1, and had a fibrous appearance, with a height (diameter) of 8-11 nm. At high ionic strength (I=1.0) the aggregates appeared to associate into clumps. When aggregate formation was studied at I=0.2, it was clear that aggregation only began at temperatures above the main thermal transition for the protein at 75 degrees C, as determined by differential scanning calorimetry. This coincided with a small change in secondary structure, as indicated by circular dichroism spectroscopy, suggesting that a degree of unfolding was necessary for aggregation to proceed. Despite prolonged heating the size of the aggregates did not increase indefinitely, suggesting that certain beta-conglycinin isoforms were able to act as chain terminators. At higher protein concentrations (1% w/v) the linear aggregates appeared to form large macroaggregates, which may be the precursors of protein gel formation. The ability of beta-conglycinin to form such distinctive aggregates is discussed in relation to the presence of acidic inserts in certain of the beta-conglycinin subunits, which may play an important role in limiting aggregate length.

Interplay between Self-Assembled Structures and Energy Level Alignment of Benzenediamine on Au(111) Surfaces

NASA Astrophysics Data System (ADS)

Li, Guo; Neaton, Jeffrey

2015-03-01

Using van der Waals-corrected density functional theory (DFT) calculations, we study the adsorption of benzene-diamine (BDA) molecules on Au(111) surfaces. We find that at low surface coverage, the adsorbed molecules prefer to stay isolated from each other in a monomer phase, due to the inter-molecular dipole-dipole repulsions. However, when the coverage rises above a critical value of 0.9nm-2, the adsorbed molecules aggregate into linear structures via hydrogen bonding between amine groups, consistent with recent experiments [Haxton, Zhou, Tamblyn, et al, Phys. Rev. Lett. 111, 265701 (2013)]. Moreover, we find that these linear structures at high density considerably reduces the Au work function (relative to a monomer phase). Due to reduced surface polarization effects, we estimate that the resonance energy of the highest occupied molecular orbital of the adsorbed BDA molecule relative to the Au Fermi level is significantly lower than the monomer phase by more than 0.5 eV, consistent with the experimental measurements [DellAngela, Kladnik, and Cossaro, et al., Nano Lett. 10, 2470 (2010)]. This work supported by DOE (the JCAP under Award Number DE-SC000499 and the Molecular Foundry of LBNL), and computational resources provided by NERSC.

Computing aggregate properties of preimages for 2D cellular automata

NASA Astrophysics Data System (ADS)

Beer, Randall D.

2017-11-01

Computing properties of the set of precursors of a given configuration is a common problem underlying many important questions about cellular automata. Unfortunately, such computations quickly become intractable in dimension greater than one. This paper presents an algorithm—incremental aggregation—that can compute aggregate properties of the set of precursors exponentially faster than naïve approaches. The incremental aggregation algorithm is demonstrated on two problems from the two-dimensional binary Game of Life cellular automaton: precursor count distributions and higher-order mean field theory coefficients. In both cases, incremental aggregation allows us to obtain new results that were previously beyond reach.

Applications of aggregation theory to sustainability assessment

DOE PAGES

Pollesch, N.; Dale, V. H.

2015-04-01

In order to aid in transition towards operations that promote sustainability goals, researchers and stakeholders use sustainability assessments. Although assessments take various forms, many utilize diverse sets of indicators that can number anywhere from two to over 2000. Indices, composite indicators, or aggregate values are used to simplify high dimensional and complex data sets and to clarify assessment results. Although the choice of aggregation function is a key component in the development of the assessment, there are few examples to be found in literature to guide appropriate aggregation function selection. This paper develops a connection between the mathematical study ofmore » aggregation functions and sustainability assessment in order to aid in providing criteria for aggregation function selection. Relevant mathematical properties of aggregation functions are presented and interpreted. Lastly, we provide cases of these properties and their relation to previous sustainability assessment research. Examples show that mathematical aggregation properties can be used to address the topics of compensatory behavior and weak versus strong sustainability, aggregation of data under varying units of measurements, multiple site multiple indicator aggregation, and the determination of error bounds in aggregate output for normalized and non-normalized indicator measures.« less

Linear and nonlinear 2D finite element analysis of sloshing modes and pressures in rectangular tanks subject to horizontal harmonic motions

NASA Astrophysics Data System (ADS)

Virella, Juan C.; Prato, Carlos A.; Godoy, Luis A.

2008-05-01

The influence of nonlinear wave theory on the sloshing natural periods and their modal pressure distributions are investigated for rectangular tanks under the assumption of two-dimensional behavior. Natural periods and mode shapes are computed and compared for both linear wave theory (LWT) and nonlinear wave theory (NLWT) models, using the finite element package ABAQUS. Linear wave theory is implemented in an acoustic model, whereas a plane strain problem with large displacements is used in NLWT. Pressure distributions acting on the tank walls are obtained for the first three sloshing modes using both linear and nonlinear wave theory. It is found that the nonlinearity does not have significant effects on the natural sloshing periods. For the sloshing pressures on the tank walls, different distributions were found using linear and nonlinear wave theory models. However, in all cases studied, the linear wave theory conservatively estimated the magnitude of the pressure distribution, whereas larger pressures resultant heights were obtained when using the nonlinear theory. It is concluded that the nonlinearity of the surface wave does not have major effects in the pressure distribution on the walls for rectangular tanks.

Electrokinetic Aggregation of Colloidal Particles on Electrodes

NASA Astrophysics Data System (ADS)

Anderson, John L.; Solomentsev, Yuri E.; Guelcher, Scott A.

1999-11-01

Colloidal particles deposited on an electrode have been observed to attract each other and form clusters in the presence of an applied electric field. This aggregation is important to the formation of dense monolayer films during electrophoretic depositon processes. Under dc fields two particles attract each other over a length scale comparable to the particle size, and the velocity of approach between two particles is proportional to the applied electric field and the particles' zeta potential. We have developed a theory for particle aggregation based on electroosmotic flow about each deposited particle. Experimental results for the relative motion of two particles are in good quantitative agreement with the theory. Our recent experiments with ac fields also show attraction between particles that is roughly proportional to the rms electric field but inversely proportional to the frequency. We discuss here a model based on electrokinetic processes that can account for some of the observations in ac fields.

The effect of time-dependent macromolecular crowding on the kinetics of protein aggregation: a simple model for the onset of age-related neurodegenerative disease

NASA Astrophysics Data System (ADS)

Minton, Allen

2014-08-01

A linear increase in the concentration of "inert" macromolecules with time is incorporated into simple excluded volume models for protein condensation or fibrillation. Such models predict a long latent period during which no significant amount of protein aggregates, followed by a steep increase in the total amount of aggregate. The elapsed time at which these models predict half-conversion of model protein to aggregate varies by less than a factor of two when the intrinsic rate constant for condensation or fibril growth of the protein is varied over many orders of magnitude. It is suggested that this concept can explain why the symptoms of neurodegenerative diseases associated with the aggregation of very different proteins and peptides appear at approximately the same advanced age in humans.

Atomic-scale simulation of dust grain collisions: Surface chemistry and dissipation beyond existing theory

NASA Astrophysics Data System (ADS)

Quadery, Abrar H.; Doan, Baochi D.; Tucker, William C.; Dove, Adrienne R.; Schelling, Patrick K.

2017-10-01

The early stages of planet formation involve steps where submicron-sized dust particles collide to form aggregates. However, the mechanism through which millimeter-sized particles aggregate to kilometer-sized planetesimals is still not understood. Dust grain collision experiments carried out in the environment of the Earth lead to the prediction of a 'bouncing barrier' at millimeter-sizes. Theoretical models, e.g., Johnson-Kendall-Roberts and Derjaguin-Muller-Toporov theories, lack two key features, namely the chemistry of dust grain surfaces, and a mechanism for atomic-scale dissipation of energy. Moreover, interaction strengths in these models are parameterized based on experiments done in the Earth's environment. To address these issues, we performed atomic-scale simulations of collisions between nonhydroxylated and hydroxylated amorphous silica nanoparticles. We used the ReaxFF approach which enables modeling chemical reactions using an empirical potential. We found that nonhydroxylated nanograins tend to adhere with much higher probability than suggested by existing theories. By contrast, hydroxylated nanograins exhibit a strong tendency to bounce. Also, the interaction between dust grains has the characteristics of a strong chemical force instead of weak van der Waals forces. This suggests that the formation of strong chemical bonds and dissipation via internal atomic vibration may result in aggregation beyond what is expected based on our current understanding. Our results also indicate that experiments should more carefully consider surface conditions to mimic the space environment. We also report results of simulations with molten silica nanoparticles. It is found that molten particles are more likely to adhere due to viscous dissipation, which supports theories that suggest aggregation to kilometer scales might require grains to be in a molten state.

Acetonitrile Ion Suppression in Atmospheric Pressure Ionization Mass Spectrometry

NASA Astrophysics Data System (ADS)

Colizza, Kevin; Mahoney, Keira E.; Yevdokimov, Alexander V.; Smith, James L.; Oxley, Jimmie C.

2016-11-01

Efforts to analyze trace levels of cyclic peroxides by liquid chromatography/mass spectrometry gave evidence that acetonitrile suppressed ion formation. Further investigations extended this discovery to ketones, linear peroxides, esters, and possibly many other types of compounds, including triazole and menadione. Direct ionization suppression caused by acetonitrile was observed for multiple adduct types in both electrospray ionization and atmospheric pressure chemical ionization. The addition of only 2% acetonitrile significantly decreased the sensitivity of analyte response. Efforts to identify the mechanism were made using various nitriles. The ion suppression was reduced by substitution of an acetonitrile hydrogen with an electron-withdrawing group, but was exacerbated by electron-donating or steric groups adjacent to the nitrile. Although current theory does not explain this phenomenon, we propose that polar interactions between the various functionalities and the nitrile may be forming neutral aggregates that manifest as ionization suppression.

National Income, Inequality and Global Patterns of Cigarette Use

PubMed Central

Pampel, Fred

2011-01-01

Declining tobacco use in high-income nations and rising tobacco use in low- and middle-income nations raises questions about the sources of worldwide patterns of smoking. Theories posit a curvilinear influence of national income based on the balance of affordability and health-cost effects. In addition, however, economic inequality, gender inequality and government policies may moderate the rise and fall in smoking prevalence with national income. This study tests these arguments using aggregate data for 145 nations and measures of smoking prevalence circa 2000. The results show nonlinear effects of national income for males that take the form of an inverted U, but show linear effects for females. They also show non-additive effects of economic inequality for males that moderate both the rise and decline of smoking with national income and non-additive effects of gender equality for females that moderate the positive effect of national income. PMID:21874072

Maximum Likelihood Item Easiness Models for Test Theory without an Answer Key

ERIC Educational Resources Information Center

France, Stephen L.; Batchelder, William H.

2015-01-01

Cultural consensus theory (CCT) is a data aggregation technique with many applications in the social and behavioral sciences. We describe the intuition and theory behind a set of CCT models for continuous type data using maximum likelihood inference methodology. We describe how bias parameters can be incorporated into these models. We introduce…

Traffic Flow Management Using Aggregate Flow Models and the Development of Disaggregation Methods

NASA Technical Reports Server (NTRS)

Sun, Dengfeng; Sridhar, Banavar; Grabbe, Shon

2010-01-01

A linear time-varying aggregate traffic flow model can be used to develop Traffic Flow Management (tfm) strategies based on optimization algorithms. However, there are no methods available in the literature to translate these aggregate solutions into actions involving individual aircraft. This paper describes and implements a computationally efficient disaggregation algorithm, which converts an aggregate (flow-based) solution to a flight-specific control action. Numerical results generated by the optimization method and the disaggregation algorithm are presented and illustrated by applying them to generate TFM schedules for a typical day in the U.S. National Airspace System. The results show that the disaggregation algorithm generates control actions for individual flights while keeping the air traffic behavior very close to the optimal solution.

Effect of Fly-Ash on Corrosion Resistance Characteristics of Rebar Embedded in Recycled Aggregate Concrete

NASA Astrophysics Data System (ADS)

Revathi, Purushothaman; Nikesh, P.

2018-04-01

In the frame of an extended research programme dealing with the utilization of recycled aggregate in concrete, the corrosion resistance characteristics of rebars embedded in recycled aggregate concrete is studied. Totally five series of concrete mixtures were prepared with fly-ash as replacement for cement in the levels of 10-30% by weight of cement. Corrosion studies by 90 days ponding test, linear polarization test and impressed voltage tests were carried out, in order to investigate whether corrosion behaviour of the rebars has improved due to the replacement of cement with fly-ash. Results showed that the replacement of cement with fly-ash in the range of 20-30% improves the corrosion resistance characteristics of recycled aggregate concrete.

Determination of monomer concentrations in crystallizing lysozyme solutions

NASA Technical Reports Server (NTRS)

Wilson, L. J.; Pusey, Marc L.

1992-01-01

We have developed a non-optical technique for the study of aggregation in lysozyme and other protein solutions. By monitoring the rate at which lysozyme traverses a semipermeable membrane it was possible to quantitate the degree of aggregation in supersaturated solutions. Using this technique, we have measured the concentration of monomers and larger aggregates in under- and oversaturated lysozyme solutions, and in the presence of crystals, at pH 4.0 and 3 percent NaCl (0.1M NaAc). Comparison of these concentration profiles with (110) face growth rate data supports the theory that tetragonal lysozyme crystals grow by addition of preformed aggregates and not by monomer addition. The data suggest that a considerable population of aggregates larger than dimers are present at lysozyme concentrations above 22 mg/ml. Determination of dimer concentrations, and equilibrium constants for subsequent aggregation levels, are currently underway.

The response of multidegree-of-freedom systems with quadratic non-linearities to a harmonic parametric resonance

NASA Astrophysics Data System (ADS)

Nayfeh, A. H.

1983-09-01

An analysis is presented of the response of multidegree-of-freedom systems with quadratic non-linearities to a harmonic parametric excitation in the presence of an internal resonance of the combination type ω3 ≈ ω2 + ω1, where the ωn are the linear natural frequencies of the systems. In the case of a fundamental resonance of the third mode (i.e., Ω ≈ω 3, where Ω is the frequency of the excitation), one can identify two critical values ζ 1 and ζ 2, where ζ 2 ⩾ ζ 1, of the amplitude F of the excitation. The value F = ζ2 corresponds to the transition from stable to unstable solutions. When F < ζ1, the motion decays to zero according to both linear and non-linear theories. When F > ζ2, the motion grows exponentially with time according to the linear theory but the non-linearity limits the motion to a finite amplitude steady state. The amplitude of the third mode, which is directly excited, is independent of F, whereas the amplitudes of the first and second modes, which are indirectly excited through the internal resonance, are functions of F. When ζ1 ⩽ F ⩽ ζ2, the motion decays or achieves a finite amplitude steady state depending on the initial conditions according to the non-linear theory, whereas it decays to zero according to the linear theory. This is an example of subcritical instability. In the case of a fundamental resonance of either the first or second mode, the trivial response is the only possible steady state. When F ⩽ ζ2, the motion decays to zero according to both linear and non-linear theories. When F > ζ2, the motion grows exponentially with time according to the linear theory but it is aperiodic according to the non-linear theory. Experiments are being planned to check these theoretical results.

Estimation of polydispersity in aggregating red blood cells by quantitative ultrasound backscatter analysis.

PubMed

de Monchy, Romain; Rouyer, Julien; Destrempes, François; Chayer, Boris; Cloutier, Guy; Franceschini, Emilie

2018-04-01

Quantitative ultrasound techniques based on the backscatter coefficient (BSC) have been commonly used to characterize red blood cell (RBC) aggregation. Specifically, a scattering model is fitted to measured BSC and estimated parameters can provide a meaningful description of the RBC aggregates' structure (i.e., aggregate size and compactness). In most cases, scattering models assumed monodisperse RBC aggregates. This study proposes the Effective Medium Theory combined with the polydisperse Structure Factor Model (EMTSFM) to incorporate the polydispersity of aggregate size. From the measured BSC, this model allows estimating three structural parameters: the mean radius of the aggregate size distribution, the width of the distribution, and the compactness of the aggregates. Two successive experiments were conducted: a first experiment on blood sheared in a Couette flow device coupled with an ultrasonic probe, and a second experiment, on the same blood sample, sheared in a plane-plane rheometer coupled to a light microscope. Results demonstrated that the polydisperse EMTSFM provided the best fit to the BSC data when compared to the classical monodisperse models for the higher levels of aggregation at hematocrits between 10% and 40%. Fitting the polydisperse model yielded aggregate size distributions that were consistent with direct light microscope observations at low hematocrits.

Does bathymetry drive coastal whale shark (Rhincodon typus) aggregations?

PubMed Central

Stewart, Bryce D.; McClean, Colin J.; Hancock, James; Rees, Richard

2018-01-01

Background The whale shark (Rhincodon typus) is known to aggregate in a number of coastal locations globally, however what causes these aggregations to form where they do is largely unknown. This study examines whether bathymetry is an important driver of coastal aggregation locations for R. typus through bathymetry’s effect on primary productivity and prey availability. This is a global study taking into account all coastal areas within R. typus’ range. Methods R. typus aggregation locations were identified through an extensive literature review. Global bathymetric data were compared at R. typus aggregation locations and a large random selection of non-aggregation areas. Generalised linear models were used to assess which bathymetric characteristic had the biggest influence on aggregation presence. Results Aggregation sites were significantly shallower than non-aggregation sites and in closer proximity to deep water (the mesopelagic zone) by two orders of magnitude. Slope at aggregation sites was significantly steeper than non-aggregation sites. These three bathymetric variables were shown to have the biggest association with aggregation sites, with up to 88% of deviation explained by the GLMs. Discussion The three key bathymetric characteristics similar at the aggregation sites are known to induce upwelling events, increase primary productivity and consequently attract numerous other filter feeding species. The location of aggregation sites in these key areas can be attributed to this increased prey availability, thought to be the main reason R. typus aggregations occur, extensively outlined in the literature. The proximity of aggregations to shallow areas such as reefs could also be an important factor why whale sharks thermoregulate after deep dives to feed. These findings increase our understanding of whale shark behaviour and may help guide the identification and conservation of further aggregation sites.

On cooperative effects and aggregation of GNNQQNY and NNQQNY peptides

NASA Astrophysics Data System (ADS)

Nochebuena, Jorge; Ireta, Joel

2015-10-01

Some health disturbances like neurodegenerative diseases are associated to the presence of amyloids. GNNQQNY and NNQQNY peptides are considered as prototypical examples for studying the formation of amyloids. These exhibit quite different aggregation behaviors despite they solely differ in size by one residue. To get insight into the reasons for such difference, we have examined association energies of aggregates (parallel β-sheets, fibril-spines, and crystal structures) from GNNQQNY and NNQQY using density functional theory. As we found that GNNQQNY tends to form a zwitterion in the crystal structure, we have investigated the energetics of parallel β-sheets and fibril-spines in the canonical and zwitterionic states. We found that the formation of GNNQQNY aggregates is energetically more favored than the formation of the NNQQNY ones. We show that the latter is connected to the network of hydrogen bonds formed by each aggregate. Moreover, we found that the formation of some NNQQNY aggregates is anticooperative, whereas cooperative with GNNQQNY. These results have interesting implications for deciphering the factors determining peptide aggregation propensities.

Strong coupling-like phenomenon in single metallic nanoparticle embedded in molecular J-aggregates

NASA Astrophysics Data System (ADS)

Feng, Xin; Wang, Chen; Ma, Hongjing; Chen, Yuanyuan; Duan, Gaoyan; Zhang, Pengfei; Song, Gang

2018-02-01

Strong coupling-like phenomenon between plasmonic cavities and emitters provides a new way to realize the quantum-like effect controlling at microscale/nanoscale. We investigate the strong coupling-like phenomenon in the structure of single metallic nanoparticle embedded in molecular J-aggregates by the classical simulation method and show that the size of the metallic nanoparticle and the oscillator strength of molecular J-aggregates impact the strong coupling-like phenomenon. The strong coupling-like phenomenon is induced by the interactions between two dipoles formed by the metallic nanoparticle and molecular J-aggregates or the interactions between the dipole generated from molecular J-aggregates and the quadrupole generated from the metallic nanoparticle. The strong coupling-like phenomenon appears evidently with the increase in oscillator strength of molecular J-aggregates. The detuning energy linearly decreases with the increase in radius of the metallic nanoparticle. Our structure has potential applications in quantum networks, quantum key distributions and so on.

Effects of garlic extract on platelet aggregation: a randomized placebo-controlled double-blind study.

PubMed

Morris, J; Burke, V; Mori, T A; Vandongen, R; Beilin, L J

1995-01-01

1. Studies of the effects of garlic on platelet aggregation have produced inconsistent results possibly related to variations in study design and in the garlic preparations used. 2. The present study examined the effects on platelet aggregation and serum thromboxane and lyso-platelet activating factor, of feeding garlic extract to healthy men using a placebo-controlled, double-blind design. The effects of the same garlic preparation on platelet aggregation in vitro were also investigated. 3. There were no significant differences in platelet aggregation with adenosine diphosphate, platelet activating factor (PAF) or collagen according to treatment group. Serum thromboxane and lysoPAF also showed no change related to garlic supplements. 4. In vitro aggregation with collagen decreased linearly with increasing amounts of garlic extract, but concentrations were higher than those attainable in vivo. Gastrointestinal side effects prevented the use of higher doses of garlic which must be considered to be pharmacological as they exceed changes achievable by dietary modification.

Erythrocyte aggregation under high pressure studied by laser photometry and mathematical analysis.

PubMed

Toyama, Yoshiharu; Yoshida, Hisashi; Yamamoto, Takao; Dobashi, Toshiaki

2016-04-01

The effects of hydrostatic pressure on erythrocyte aggregation have been studied by laser photometry and analysis based on a phenomenological theory. Samples were prepared by suspending swine erythrocytes in their own plasma. A high-pressure vessel consisting of a stainless-steel block with a hole to hold a sample cell and two sapphire windows to allows the passage of a He-Ne laser beam was used in the experimental setup. The suspension was stirred at 1500 rpm to disperse the erythrocytes homogeneously. Immediately after reducing the stirring rate from 1500 rpm to 300 rpm, the transmitted light intensity (I) was recorded every 10 ms under a high pressure of 40-200 MPa. The value of I increased with time (t) owing to erythrocyte aggregation. From the phenomenological theory, the equation ΔI(t)=ΔIeq[1-e(-Kt)/(1-B(1-e(-Kt)))] was derived for the change in the transmitted light intensity (ΔI) due to erythrocyte aggregation, where ΔIeq is the transmitted light intensity in the steady state, K is a time constant and B is a constant that represents the ratio of the number of interaction sites on erythrocyte aggregates at time t to that in the steady state. The observed time courses of ΔI obtained at all pressures could be closely fitted to the theoretical equation. ΔIeq roughly increased with increasing pressure. On the other hand, K and B abruptly decreased above 120 MPa. The growth rate of aggregates decreased above 120 MPa. These results suggest a change in the mechanism of erythrocyte aggregation at approximately 120 MPa. We discuss the physical meaning of the parameters. Copyright © 2015 Elsevier B.V. All rights reserved.

Characterization of Diesel Soot Aggregates by Scattering and Extinction Methods

NASA Astrophysics Data System (ADS)

Kamimoto, Takeyuki

2006-07-01

Characteristics of diesel soot particles sampled from diesel exhaust of a common-rail turbo-charged diesel engine are quantified by scattering and extinction diagnostics using newly build two laser-based instruments. The radius of gyration representing the aggregates size is measured by the angular distribution of scattering intensity, while the soot mass concentration is measured by a two-wavelength extinction method. An approach to estimate the refractive index of diesel soot by an analysis of the extinction and scattering data using an aggregates scattering theory is proposed.

Quantification of Anti-Aggregation Activity of Chaperones: A Test-System Based on Dithiothreitol-Induced Aggregation of Bovine Serum Albumin

PubMed Central

Borzova, Vera A.; Markossian, Kira A.; Kara, Dmitriy A.; Chebotareva, Natalia A.; Makeeva, Valentina F.; Poliansky, Nikolay B.; Muranov, Konstantin O.; Kurganov, Boris I.

2013-01-01

The methodology for quantification of the anti-aggregation activity of protein and chemical chaperones has been elaborated. The applicability of this methodology was demonstrated using a test-system based on dithiothreitol-induced aggregation of bovine serum albumin at 45°C as an example. Methods for calculating the initial rate of bovine serum albumin aggregation (v agg) have been discussed. The comparison of the dependences of v agg on concentrations of intact and cross-linked α-crystallin allowed us to make a conclusion that a non-linear character of the dependence of v agg on concentration of intact α-crystallin was due to the dynamic mobility of the quaternary structure of α-crystallin and polydispersity of the α-crystallin–target protein complexes. To characterize the anti-aggregation activity of the chemical chaperones (arginine, arginine ethyl ester, arginine amide and proline), the semi-saturation concentration [L]0.5 was used. Among the chemical chaperones studied, arginine ethyl ester and arginine amide reveal the highest anti-aggregation activity ([L]0.5 = 53 and 58 mM, respectively). PMID:24058554

Naked-eye detection of potassium ions in a novel gold nanoparticle aggregation-based aptasensor

NASA Astrophysics Data System (ADS)

Naderi, Mahboube; Hosseini, Morteza; Ganjali, Mohammad Reza

2018-04-01

In this work, we studied the feasibility of interaction among gold nanoparticles (AuNPs) and a cationic dye in an aptasensor system for the detection of potassium ions. The presence and absence of potassium in the solution was distinguishable by different colors (between orange and green) appeared after reaction. Cationic dye (Y5GL) acts as a new aggregator for AuNP-based sensors which changes the aggregated AuNP solution color from blue-purple to green. In the presence of K+ ions, the aptamer dissociated from the surface of the AuNP so that free AuNPs and cationic dye make the solution green. The aptasensor showed that the analytical linear range was from 10 nM to 50 mM and the detection limit was 4.4 nM. Also, we examined the practicality of this method on a simple paper based platform. The linear range of the colorimetric paper sensor covered of K+ concentration from 10 μM to 40 mM and the detection limit of 6.2 μM was obtained. The selectivity of AuNP aggregation-based sensor improved by the use of cationic dye. Rapidity, simplicity, high sensitivity and excellent selectivity made this assay suitable for practical determination of K+ in real urine samples.

Peptide concentration alters intermediate species in amyloid β fibrillation kinetics

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

Garvey, M., E-mail: megan.garvey@molbiotech.rwth-aachen.de; Morgado, I., E-mail: immorgado@ualg.pt

2013-04-12

Highlights: ► Aβ(1–40) aggregation in vitro has been monitored at different concentrations. ► Aβ(1–40) fibrillation does not always follow conventional kinetic mechanisms. ► We demonstrate non-linear features in the kinetics of Aβ(1–40) fibril formation. ► At high Aβ(1–40) concentrations secondary processes dictate fibrillation speed. ► Intermediate species may play significant roles on final amyloid fibril development. -- Abstract: The kinetic mechanism of amyloid aggregation remains to be fully understood. Investigations into the species present in the different kinetic phases can assist our comprehension of amyloid diseases and further our understanding of the mechanism behind amyloid β (Aβ) (1–40) peptide aggregation.more » Thioflavin T (ThT) fluorescence and transmission electron microscopy (TEM) have been used in combination to monitor Aβ(1–40) aggregation in vitro at both normal and higher than standard concentrations. The observed fibrillation behaviour deviates, in several respects, from standard concepts of the nucleation–polymerisation models and shows such features as concentration-dependent non-linear effects in the assembly mechanism. Aβ(1–40) fibrillation kinetics do not always follow conventional kinetic mechanisms and, specifically at high concentrations, intermediate structures become populated and secondary processes may further modify the fibrillation mechanism.« less

Variation of the shape and morphological properties of silica and metal oxide powders by electro homogeneous precipitation

DOEpatents

Harris, M.T.; Basaran, O.A.; Sisson, W.G.; Brunson, R.R.

1997-02-18

The present invention provides a method for preparing irreversible linear aggregates (fibrils) of metal oxide powders by utilizing static or pulsed DC electrical fields across a relatively non-conducting liquid solvent in which organometal compounds or silicon alkoxides have been dissolved. The electric field is applied to the relatively non-conducting solution throughout the particle formation and growth process promoting the formation of either linear aggregates (fibrils) or spherical shaped particles as desired. Thus the present invention provides a physical method for altering the size, shape and porosity of precursor hydrous metal oxide or hydrous silicon oxide powders for the development of advanced ceramics with improved strength and insulating capacity. 3 figs.

Feasibility of combining linear theory and impact theory methods for the analysis and design of high speed configurations

NASA Technical Reports Server (NTRS)

Brooke, D.; Vondrasek, D. V.

1978-01-01

The aerodynamic influence coefficients calculated using an existing linear theory program were used to modify the pressures calculated using impact theory. Application of the combined approach to several wing-alone configurations shows that the combined approach gives improved predictions of the local pressure and loadings over either linear theory alone or impact theory alone. The approach not only removes most of the short-comings of the individual methods, as applied in the Mach 4 to 8 range, but also provides the basis for an inverse design procedure applicable to high speed configurations.

Rydberg aggregates

NASA Astrophysics Data System (ADS)

Wüster, S.; Rost, J.-M.

2018-02-01

We review Rydberg aggregates, assemblies of a few Rydberg atoms exhibiting energy transport through collective eigenstates, considering isolated atoms or assemblies embedded within clouds of cold ground-state atoms. We classify Rydberg aggregates, and provide an overview of their possible applications as quantum simulators for phenomena from chemical or biological physics. Our main focus is on flexible Rydberg aggregates, in which atomic motion is an essential feature. In these, simultaneous control over Rydberg-Rydberg interactions, external trapping and electronic energies, allows Born-Oppenheimer surfaces for the motion of the entire aggregate to be tailored as desired. This is illustrated with theory proposals towards the demonstration of joint motion and excitation transport, conical intersections and non-adiabatic effects. Additional flexibility for quantum simulations is enabled by the use of dressed dipole-dipole interactions or the embedding of the aggregate in a cold gas or Bose-Einstein condensate environment. Finally we provide some guidance regarding the parameter regimes that are most suitable for the realization of either static or flexible Rydberg aggregates based on Li or Rb atoms. The current status of experimental progress towards enabling Rydberg aggregates is also reviewed.

Melittin Aggregation in Aqueous Solutions: Insight from Molecular Dynamics Simulations.

PubMed

Liao, Chenyi; Esai Selvan, Myvizhi; Zhao, Jun; Slimovitch, Jonathan L; Schneebeli, Severin T; Shelley, Mee; Shelley, John C; Li, Jianing

2015-08-20

Melittin is a natural peptide that aggregates in aqueous solutions with paradigmatic monomer-to-tetramer and coil-to-helix transitions. Since little is known about the molecular mechanisms of melittin aggregation in solution, we simulated its self-aggregation process under various conditions. After confirming the stability of a melittin tetramer in solution, we observed—for the first time in atomistic detail—that four separated melittin monomers aggregate into a tetramer. Our simulated dependence of melittin aggregation on peptide concentration, temperature, and ionic strength is in good agreement with prior experiments. We propose that melittin mainly self-aggregates via a mechanism involving the sequential addition of monomers, which is supported by both qualitative and quantitative evidence obtained from unbiased and metadynamics simulations. Moreover, by combining computer simulations and a theory of the electrical double layer, we provide evidence to suggest why melittin aggregation in solution likely stops at the tetramer, rather than forming higher-order oligomers. Overall, our study not only explains prior experimental results at the molecular level but also provides quantitative mechanistic information that may guide the engineering of melittin for higher efficacy and safety.

Employing Theories Far beyond Their Limits - Linear Dichroism Theory.

PubMed

Mayerhöfer, Thomas G

2018-05-15

Using linear polarized light, it is possible in case of ordered structures, such as stretched polymers or single crystals, to determine the orientation of the transition moments of electronic and vibrational transitions. This not only helps to resolve overlapping bands, but also assigning the symmetry species of the transitions and to elucidate the structure. To perform spectral evaluation quantitatively, a sometimes "Linear Dichroism Theory" called approach is very often used. This approach links the relative orientation of the transition moment and polarization direction to the quantity absorbance. This linkage is highly questionable for several reasons. First of all, absorbance is a quantity that is by its definition not compatible with Maxwell's equations. Furthermore, absorbance seems not to be the quantity which is generally compatible with linear dichroism theory. In addition, linear dichroism theory disregards that it is not only the angle between transition moment and polarization direction, but also the angle between sample surface and transition moment, that influences band shape and intensity. Accordingly, the often invoked "magic angle" has never existed and the orientation distribution influences spectra to a much higher degree than if linear dichroism theory would hold strictly. A last point that is completely ignored by linear dichroism theory is the fact that partially oriented or randomly-oriented samples usually consist of ordered domains. It is their size relative to the wavelength of light that can also greatly influence a spectrum. All these findings can help to elucidate orientation to a much higher degree by optical methods than currently thought possible by the users of linear dichroism theory. Hence, it is the goal of this contribution to point out these shortcomings of linear dichroism theory to its users to stimulate efforts to overcome the long-lasting stagnation of this important field. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Detection and characterization of red blood cell (RBC) aggregation with photoacoustics

NASA Astrophysics Data System (ADS)

Hysi, Eno; Saha, Ratan K.; Rui, Min; Kolios, Michael C.

2012-02-01

Red blood cells (RBCs) aggregate in the presence of increased plasma fibrinogen and low shear forces during blood flow. RBC aggregation has been observed in deep vein thrombosis, sepsis and diabetes. We propose using photoacoustics (PA) as a non-invasive imaging modality to detect RBC aggregation. The theoretical and experimental feasibility of PA for detecting and characterizing aggregation was assessed. A simulation study was performed to generate PA signals from non-aggregated and aggregated RBCs using a frequency domain approach and to study the PA signals' dependence on hematocrit and aggregate size. The effect of the finite bandwidth nature of transducers on the PA power spectra was also investigated. Experimental confirmation of theoretical results was conducted using porcine RBC samples exposed to 1064 nm optical wavelength using the Imagio Small Animal PA imaging system (Seno Medical Instruments, Inc., San Antonio, TX). Aggregation was induced with Dextran-70 (Sigma-Aldrich, St. Louis, MO) and the effect of hematocrit and aggregation level was investigated. The theoretical and experimental PA signal amplitude increased linearly with increasing hematocrit. The theoretical dominant frequency content of PA signals shifted towards lower frequencies (<30 MHz) and 9 dB enhancements in spectral power were observed as the size of aggregates increased compared to non-aggregating RBCs. Calibration of the PA spectra with the transducer response obtained from a 200 nm gold film was performed to remove system dependencies. Analysis of the spectral parameters from the calibrated spectra suggested that PA can assess the degree of aggregation at multiple hematocrit and aggregation levels.

A Linear Theory for Inflatable Plates of Arbitrary Shape

NASA Technical Reports Server (NTRS)

McComb, Harvey G., Jr.

1961-01-01

A linear small-deflection theory is developed for the elastic behavior of inflatable plates of which Airmat is an example. Included in the theory are the effects of a small linear taper in the depth of the plate. Solutions are presented for some simple problems in the lateral deflection and vibration of constant-depth rectangular inflatable plates.

Modeling Multivalent Ligand-Receptor Interactions with Steric Constraints on Configurations of Cell-Surface Receptor Aggregates

PubMed Central

Monine, Michael I.; Posner, Richard G.; Savage, Paul B.; Faeder, James R.; Hlavacek, William S.

2010-01-01

Abstract We use flow cytometry to characterize equilibrium binding of a fluorophore-labeled trivalent model antigen to bivalent IgE-FcεRI complexes on RBL cells. We find that flow cytometric measurements are consistent with an equilibrium model for ligand-receptor binding in which binding sites are assumed to be equivalent and ligand-induced receptor aggregates are assumed to be acyclic. However, this model predicts extensive receptor aggregation at antigen concentrations that yield strong cellular secretory responses, which is inconsistent with the expectation that large receptor aggregates should inhibit such responses. To investigate possible explanations for this discrepancy, we evaluate four rule-based models for interaction of a trivalent ligand with a bivalent cell-surface receptor that relax simplifying assumptions of the equilibrium model. These models are simulated using a rule-based kinetic Monte Carlo approach to investigate the kinetics of ligand-induced receptor aggregation and to study how the kinetics and equilibria of ligand-receptor interaction are affected by steric constraints on receptor aggregate configurations and by the formation of cyclic receptor aggregates. The results suggest that formation of linear chains of cyclic receptor dimers may be important for generating secretory signals. Steric effects that limit receptor aggregation and transient formation of small receptor aggregates may also be important. PMID:20085718

INTERDISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: Aggregation Behaviors of a Two-Species System with Lose-Lose Interactions

NASA Astrophysics Data System (ADS)

Song, Mei-Xia; Lin, Zhen-Quan; Li, Xiao-Dong; Ke, Jian-Hong

2010-06-01

We propose an aggregation evolution model of two-species (A- and B-species) aggregates to study the prevalent aggregation phenomena in social and economic systems. In this model, A- and B-species aggregates perform self-exchange-driven growths with the exchange rate kernels K (k,l) = Kkl and L(k,l) = Lkl, respectively, and the two species aggregates perform self-birth processes with the rate kernels J1(k) = J1k and J2(k) = J2k, and meanwhile the interaction between the aggregates of different species A and B causes a lose-lose scheme with the rate kernel H(k,l) = Hkl. Based on the mean-field theory, we investigated the evolution behaviors of the two species aggregates to study the competitions among above three aggregate evolution schemes on the distinct initial monomer concentrations A0 and B0 of the two species. The results show that the evolution behaviors of A- and B-species are crucially dominated by the competition between the two self-birth processes, and the initial monomer concentrations A0 and B0 play important roles, while the lose-lose scheme play important roles in some special cases.

Graphing the Model or Modeling the Graph? Not-so-Subtle Problems in Linear IS-LM Analysis.

ERIC Educational Resources Information Center

Alston, Richard M.; Chi, Wan Fu

1989-01-01

Outlines the differences between the traditional and modern theoretical models of demand for money. States that the two models are often used interchangeably in textbooks, causing ambiguity. Argues against the use of linear specifications that imply that income velocity can increase without limit and that autonomous components of aggregate demand…

A new measure of molecular attractions between nanoparticles near kT adhesion energy

NASA Astrophysics Data System (ADS)

Kendall, Kevin; Dhir, Aman; Du, Shangfeng

2009-07-01

The weak molecular attractions of nanoparticles are important because they drive self-assembly mechanisms, allow processing in dispersions e.g. of pigments, catalysts or device structures, influence disease through the attraction of viruses to cells and also cause potential toxic effects through nanoparticle interference with biomolecules and organs. The problem is to understand these small forces which pull nanoparticles into intimate contact; forces which are comparable with 3kT/2z the thermal impact force experienced by an average Brownian particle hitting a linear repulsive potential of range z. Here we describe a new method for measuring the atomic attractions of nanoparticles based on the observation of aggregates produced by these small forces. The method is based on the tracking of individual monosize nanoparticles whose diameter can be calculated from the Stokes-Einstein analysis of the tracks in aqueous suspensions. Then the doublet aggregates are distinguished because they move slower and are also very much brighter than the dispersed nanoparticles. By finding the ratio of doublets to singlets, the adhesive energy between the particles can be calculated from known statistical thermodynamic theory using assumptions about the shape of the interaction potential. In this way, very small adhesion energies of 2kT have been measured, smaller than those seen previously by atomic force microscopy (AFM) and scanning tunneling microscopy (STM).

A study on the performance of concrete containing recycled aggregates and ceramic as materials replacement

NASA Astrophysics Data System (ADS)

Azmi, N. B.; Khalid, F. S.; Irwan, J. M.; Anting, N.; Mazenan, P. N.

2017-11-01

Natural fine aggregate materials are commonly used in development and commercial construction in Malaysia. In fact, concrete production was increased as linear with the growing Malaysia economy. However, an issue was production of concrete was to locate adequate sources of natural fine aggregates. There lot of studies have been conducted in order to replace the fine aggregate in which natural fine aggregate replace with the waste material in concrete preparation. Therefore, this study aims to utilize the Recycled Concrete Aggregate (RCA) and ceramic waste which has great potential to replace the natural aggregate in concrete mix with different type of method, admixture, and parameters. This research were focused on compressive strength and water absorption test to determine the optimum mix ratio of concrete mix. The concrete aggregate was chosen due to improvement capillary bonding mechanisms and ceramic presented similar strength compared to the conventional concrete using natural aggregate. Percent of replacement have been used in this study was at 25%, 35% and 45% of the RCA and 5%, 10% and 15% for ceramic, respectively. Furthermore, this research was conduct to find the optimum percentage of aggregate replacement, using water-cement ratio of 0.55 with concrete grade 25/30. The best percentage of replacement was the RCA35% C15% with the compressive strength of 34.72 MPa and the water absorption was satisfied.

Concentration-dependent changes in apparent diffusion coefficients as indicator for colloidal stability of protein solutions.

PubMed

Bauer, Katharina Christin; Göbel, Mathias; Schwab, Marie-Luise; Schermeyer, Marie-Therese; Hubbuch, Jürgen

2016-09-10

The colloidal stability of a protein solution during downstream processing, formulation, and storage is a key issue for the biopharmaceutical production process. Thus, knowledge about colloidal solution characteristics, such as the tendency to form aggregates or high viscosity, at various processing conditions is of interest. This work correlates changes in the apparent diffusion coefficient as a parameter of protein interactions with observed protein aggregation and dynamic viscosity of the respective protein samples. For this purpose, the diffusion coefficient, the protein phase behavior, and the dynamic viscosity in various systems containing the model proteins α-lactalbumin, lysozyme, and glucose oxidase were studied. Each of these experiments revealed a wide range of variations in protein interactions depending on protein type, protein concentration, pH, and the NaCl concentration. All these variations showed to be mirrored by changes in the apparent diffusion coefficient in the respective samples. Whereas stable samples with relatively low viscosity showed an almost linear dependence, the deviation from the concentration-dependent linearity indicated both an increase in the sample viscosity and probability of protein aggregation. This deviation of the apparent diffusion coefficient from concentration-dependent linearity was independent of protein type and solution properties for this study. Thus, this single parameter shows the potential to act as a prognostic tool for colloidal stability of protein solutions. Copyright © 2016 Elsevier B.V. All rights reserved.

Localization length and intraband scattering of excitons in linear aggregates

NASA Astrophysics Data System (ADS)

Lemaistre, J. P.

1999-07-01

A theoretical model to describe the intraband scattering of excitons in linear aggregates of finite size which exhibit strong intermolecular interactions is presented. From the calculation of the aggregate eigenstates, the localization length of excitons is evaluated for various configurations featuring physical situations like trapping, edge effects, inclusion of diagonal and/or orientational disorders. The intraband scattering is studied by considering the exciton-phonon stochastic coupling induced by the thermal bath. This coupling creates local dynamical fluctuations in the site energies which are characterized by their amplitude ( Δ) and their correlation time ( τc). Expressions of scattering rates are provided and used in a Pauli master equation to calculate the time dependence of the eigenstates populations after initial excitation of the quasi exciton-band. It is shown that the time evolution of the lowest state population as well as the Stokes shift strongly depend on τc. Comparison of the theoretical results to time-resolved experiments performed on triaryl pyrylium salts allows us to interpret the observed Stokes shift and to derive an average value of the exciton-phonon correlation time.

A fractal comparison of real and Austrian business cycle models

NASA Astrophysics Data System (ADS)

Mulligan, Robert F.

2010-06-01

Rescaled range and power spectral density analysis are applied to examine a diverse set of macromonetary data for fractal character and stochastic dependence. Fractal statistics are used to evaluate two competing models of the business cycle, Austrian business cycle theory and real business cycle theory. Strong evidence is found for antipersistent stochastic dependence in transactions money (M1) and components of the monetary aggregates most directly concerned with transactions, which suggests an activist monetary policy. Savings assets exhibit persistent long memory, as do those monetary aggregates which include savings assets, such as savings money (M2), M2 minus small time deposits, and money of zero maturity (MZM). Virtually all measures of economic activity display antipersistence, and this finding is invariant to whether the measures are adjusted for inflation, including real gross domestic product, real consumption expenditures, real fixed private investment, and labor productivity. This strongly disconfirms real business cycle theory.

Quasi-linear theory via the cumulant expansion approach

NASA Technical Reports Server (NTRS)

Jones, F. C.; Birmingham, T. J.

1974-01-01

The cumulant expansion technique of Kubo was used to derive an intergro-differential equation for f , the average one particle distribution function for particles being accelerated by electric and magnetic fluctuations of a general nature. For a very restricted class of fluctuations, the f equation degenerates exactly to a differential equation of Fokker-Planck type. Quasi-linear theory, including the adiabatic assumption, is an exact theory for this limited class of fluctuations. For more physically realistic fluctuations, however, quasi-linear theory is at best approximate.

Nonlinear Large Deflection Theory with Modified Aeroelastic Lifting Line Aerodynamics for a High Aspect Ratio Flexible Wing

NASA Technical Reports Server (NTRS)

Nguyen, Nhan; Ting, Eric; Chaparro, Daniel

2017-01-01

This paper investigates the effect of nonlinear large deflection bending on the aerodynamic performance of a high aspect ratio flexible wing. A set of nonlinear static aeroelastic equations are derived for the large bending deflection of a high aspect ratio wing structure. An analysis is conducted to compare the nonlinear bending theory with the linear bending theory. The results show that the nonlinear bending theory is length-preserving whereas the linear bending theory causes a non-physical effect of lengthening the wing structure under the no axial load condition. A modified lifting line theory is developed to compute the lift and drag coefficients of a wing structure undergoing a large bending deflection. The lift and drag coefficients are more accurately estimated by the nonlinear bending theory due to its length-preserving property. The nonlinear bending theory yields lower lift and span efficiency than the linear bending theory. A coupled aerodynamic-nonlinear finite element model is developed to implement the nonlinear bending theory for a Common Research Model (CRM) flexible wing wind tunnel model to be tested in the University of Washington Aeronautical Laboratory (UWAL). The structural stiffness of the model is designed to give about 10% wing tip deflection which is large enough that could cause the nonlinear deflection effect to become significant. The computational results show that the nonlinear bending theory yields slightly less lift than the linear bending theory for this wind tunnel model. As a result, the linear bending theory is deemed adequate for the CRM wind tunnel model.

Ion radial diffusion in an electrostatic impulse model for stormtime ring current formation

NASA Technical Reports Server (NTRS)

Chen, Margaret W.; Schulz, Michael; Lyons, Larry R.; Gorney, David J.

1992-01-01

Two refinements to the quasi-linear theory of ion radial diffusion are proposed and examined analytically with simulations of particle trajectories. The resonance-broadening correction by Dungey (1965) is applied to the quasi-linear diffusion theory by Faelthammar (1965) for an individual model storm. Quasi-linear theory is then applied to the mean diffusion coefficients resulting from simulations of particle trajectories in 20 model storms. The correction for drift-resonance broadening results in quasi-linear diffusion coefficients with discrepancies from the corresponding simulated values that are reduced by a factor of about 3. Further reductions in the discrepancies are noted following the averaging of the quasi-linear diffusion coefficients, the simulated coefficients, and the resonance-broadened coefficients for the 20 storms. Quasi-linear theory provides good descriptions of particle transport for a single storm but performs even better in conjunction with the present ensemble-averaging.

Dynamical properties and acceleration of hierarchical dust in the vicinity of comet 67P/Churyumov-Gerasimenko

NASA Astrophysics Data System (ADS)

Skorov, Yu; Reshetnyk, V.; Rezac, L.; Zhao, Y.; Marschall, R.; Blum, J.; Hartogh, P.

2018-07-01

A significant fraction of cometary dust grains leaving the nucleus surface are extremely porous and fluffy particles as revealed by recent observation from the Rosetta mission. In this paper our aim is to investigate the dynamics of such grains when subjected to a gas flow, representing the cometary outgassing. We perform numerical experiments to quantify how the internal porous texture is reflected in quantities such as effective cross-section, gas drag coefficient, and light scattering efficiency. We also derive particle speeds for the different types of aggregates as a function of radial distance and compare them to the observations by the GIADA instrument. Using our original method for constructing hierarchical aggregates we increase the level of aggregation to reach particle sizes up to few millimeters, consistent with the observations. In addition, a non-constant gas velocity is now considered in the framework of free molecular as well as fully collisional flow models, and radiation pressure calculations use the effective medium theory appropriate for such particles. These improvements lead us to conclude that dynamical models should account for accelerating gas flow, which leads to a smaller terminal speed of fluffy dust grains. Secondly, solar radiation pressure calculated based on the Mie theory approximation can lead to orders of magnitude error for the very porous particles, instead the effective medium theory should be used. Finally, although numerical simulations can reproduce the GIADA measurements of dust speeds, we cannot conclude that there exists a preferred model of porous particles build as a ballistic cluster aggregate.

Dynamical properties and acceleration of hierarchical dust in the vicinity of comet 67P/Churyumov-Gerasimenko

NASA Astrophysics Data System (ADS)

Skorov, Yu; Reshetnyk, V.; Rezac, L.; Zhao, Y.; Marschall, R.; Blum, J.; Hartogh, P.

2018-04-01

A significant fraction of cometary dust grains leaving the nucleus surface are extremely porous and fluffy particles as recent observation from the Rosetta mission revealed. In this paper our aim is to investigate the dynamics of such grains when subjected to a gas flow, representing the cometary outgassing. We perform numerical experiments to quantify how the internal porous texture is reflected in quantities such as: effective cross-section, gas drag coefficient, and light scattering efficiency. We also derive particle speeds for the different types of aggregates as a function of radial distance and compare them to the observations by the GIADA instrument. Using our original method for constructing hierarchical aggregates we increase the level of aggregation to reach particle sizes up to few millimeters, consistent with the observations. In addition, a non-constant gas velocity is now considered in the framework of free molecular as well as fully collisional flow models, and radiation pressure calculations use the effective medium theory appropriate for such particles. These improvements lead us to conclude that dynamical models should account for accelerating gas flow, which leads to a smaller terminal speed of fluffy dust grains. Second, solar radiation pressure calculated based on the Mie theory approximation can lead to orders of magnitude error for the very porous particles, instead the effective medium theory should be used. Finally, although numerical simulations can reproduce the GIADA measurements of dust speeds, we cannot conclude that there exists a preferred model of porous particles build as a ballistic cluster aggregate.

Newton's method: A link between continuous and discrete solutions of nonlinear problems

NASA Technical Reports Server (NTRS)

Thurston, G. A.

1980-01-01

Newton's method for nonlinear mechanics problems replaces the governing nonlinear equations by an iterative sequence of linear equations. When the linear equations are linear differential equations, the equations are usually solved by numerical methods. The iterative sequence in Newton's method can exhibit poor convergence properties when the nonlinear problem has multiple solutions for a fixed set of parameters, unless the iterative sequences are aimed at solving for each solution separately. The theory of the linear differential operators is often a better guide for solution strategies in applying Newton's method than the theory of linear algebra associated with the numerical analogs of the differential operators. In fact, the theory for the differential operators can suggest the choice of numerical linear operators. In this paper the method of variation of parameters from the theory of linear ordinary differential equations is examined in detail in the context of Newton's method to demonstrate how it might be used as a guide for numerical solutions.

Fluorescence dye-based detection of mAb aggregates in CHO culture supernatants.

PubMed

Paul, Albert Jesuran; Schwab, Karen; Prokoph, Nina; Haas, Elena; Handrick, René; Hesse, Friedemann

2015-06-01

Product yields, efficacy, and safety of monoclonal antibodies (mAbs) are reduced by the formation of higher molecular weight aggregates during upstream processing. In-process characterization of mAb aggregate formation is a challenge since there is a lack of a fast detection method to identify mAb aggregates in cell culture. In this work, we present a rapid method to characterize mAb aggregate-containing Chinese hamster ovary (CHO) cell culture supernatants. The fluorescence dyes thioflavin T (ThT) and 4-4-bis-1-phenylamino-8-naphthalene sulfonate (Bis-ANS) enabled the detection of soluble as well as large mAb aggregates. Partial least square (PLS) regression models were used to evaluate the linearity of the dye-based mAb aggregate detection in buffer down to a mAb aggregate concentration of 2.4 μg mL(-1). Furthermore, mAb aggregates were detected in bioprocess medium using Bis-ANS and ThT. Dye binding to aggregates was stable for 60 min, making the method robust and reliable. Finally, the developed method using 10 μmol L(-1) Bis-ANS enabled discrimination between CHO cell culture supernatants containing different levels of mAb aggregates. The method can be adapted for high-throughput screening, e.g., to screen for cell culture conditions influencing mAb product quality, and hence can contribute to the improvement of production processes of biopharmaceuticals in mammalian cell culture.

Non-Markovian Quantum State Diffusion for temperature-dependent linear spectra of light harvesting aggregates

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

Ritschel, Gerhard; Möbius, Sebastian; Eisfeld, Alexander, E-mail: eisfeld@mpipks-dresden.mpg.de

2015-01-21

Non-Markovian Quantum State Diffusion (NMQSD) has turned out to be an efficient method to calculate excitonic properties of aggregates composed of organic chromophores, taking into account the coupling of electronic transitions to vibrational modes of the chromophores. NMQSD is an open quantum system approach that incorporates environmental degrees of freedom (the vibrations in our case) in a stochastic way. We show in this paper that for linear optical spectra (absorption, circular dichroism), no stochastics is needed, even for finite temperatures. Thus, the spectra can be obtained by propagating a single trajectory. To this end, we map a finite temperature environmentmore » to the zero temperature case using the so-called thermofield method. The resulting equations can then be solved efficiently by standard integrators.« less

Kinetics of a Migration-Driven Aggregation-Fragmentation Process

NASA Astrophysics Data System (ADS)

Zhuang, You-Yi; Lin, Zhen-Quan; Ke, Jian-Hong

2003-08-01

We propose a reversible model of the migration-driven aggregation-fragmentation process with the symmetric migration rate kernels K(k;j)=K^'(k;j)=λ kj^v and the constant aggregation rates I1, I2 and fragmentation rates J1, J2. Based on the mean-field theory, we investigate the evolution behavior of the aggregate size distributions in several cases with different values of index υ. We find that the fragmentation reaction plays a more important role in the kinetic behaviors of the system than the aggregation and migration. When J1=0 and J2 =0, the aggregate size distributions ak(t) and bk(t) obey the conventional scaling law, while when J1>0 and J2>0, they obey the modified scaling law with an exponential scaling function. The total mass of either species remains conserved. The project supported by National Natural Science Foundation of China under Grant Nos. 10275048 and 10175008, and Natural Science Foundation of Zhejiang Province of China under Grant No. 102067

Physical mechanisms for chemotactic pattern formation by bacteria.

PubMed Central

Brenner, M P; Levitov, L S; Budrene, E O

1998-01-01

This paper formulates a theory for chemotactic pattern formation by the bacteria Escherichia coli in the presence of excreted attractant. In a chemotactically neutral background, through chemoattractant signaling, the bacteria organize into swarm rings and aggregates. The analysis invokes only those physical processes that are both justifiable by known biochemistry and necessary and sufficient for swarm ring migration and aggregate formation. Swarm rings migrate in the absence of an external chemoattractant gradient. The ring motion is caused by the depletion of a substrate that is necessary to produce attractant. Several scaling laws are proposed and are demonstrated to be consistent with experimental data. Aggregate formation corresponds to finite time singularities in which the bacterial density diverges at a point. Instabilities of swarm rings leading to aggregate formation occur via a mechanism similar to aggregate formation itself: when the mass density of the swarm ring exceeds a threshold, the ring collapses cylindrically and then destabilizes into aggregates. This sequence of events is demonstrated both in the theoretical model and in the experiments. PMID:9545032

On the radiative properties of soot aggregates part 1: Necking and overlapping

NASA Astrophysics Data System (ADS)

Yon, J.; Bescond, A.; Liu, F.

2015-09-01

There is a strong interest in accurately modelling the radiative properties of soot aggregates (also known as black carbon particles) emitted from combustion systems and fires to gain improved understanding of the role of black carbon to global warming. This study conducted a systematic investigation of the effects of overlapping and necking between neighbouring primary particles on the radiative properties of soot aggregates using the discrete dipole approximation. The degrees of overlapping and necking are quantified by the overlapping and necking parameters. Realistic soot aggregates were generated numerically by constructing overlapping and necking to fractal aggregates formed by point-touch primary particles simulated using a diffusion-limited cluster aggregation algorithm. Radiative properties (differential scattering, absorption, total scattering, specific extinction, asymmetry factor and single scattering albedo) were calculated using the experimentally measured soot refractive index over the spectral range of 266-1064 nm for 9 combinations of the overlapping and necking parameters. Overlapping and necking affect significantly the absorption and scattering properties of soot aggregates, especially in the near UV spectrum due to the enhanced multiple scattering effects within an aggregate. By using correctly modified aggregate properties (fractal dimension, prefactor, primary particle radius, and the number of primary particle) and by accounting for the effects of multiple scattering, the simple Rayleigh-Debye-Gans theory for fractal aggregates can reproduce reasonably accurate radiative properties of realistic soot aggregates.

Markov chain aggregation and its applications to combinatorial reaction networks.

PubMed

Ganguly, Arnab; Petrov, Tatjana; Koeppl, Heinz

2014-09-01

We consider a continuous-time Markov chain (CTMC) whose state space is partitioned into aggregates, and each aggregate is assigned a probability measure. A sufficient condition for defining a CTMC over the aggregates is presented as a variant of weak lumpability, which also characterizes that the measure over the original process can be recovered from that of the aggregated one. We show how the applicability of de-aggregation depends on the initial distribution. The application section is devoted to illustrate how the developed theory aids in reducing CTMC models of biochemical systems particularly in connection to protein-protein interactions. We assume that the model is written by a biologist in form of site-graph-rewrite rules. Site-graph-rewrite rules compactly express that, often, only a local context of a protein (instead of a full molecular species) needs to be in a certain configuration in order to trigger a reaction event. This observation leads to suitable aggregate Markov chains with smaller state spaces, thereby providing sufficient reduction in computational complexity. This is further exemplified in two case studies: simple unbounded polymerization and early EGFR/insulin crosstalk.

Aggregation in charged nanoparticles solutions induced by different interactions

NASA Astrophysics Data System (ADS)

Abbas, S.; Kumar, Sugam; Aswal, V. K.; Kohlbrecher, J.

2016-05-01

Small-angle neutron scattering (SANS) has been used to study the aggregation of anionic silica nanoparticles as induced through different interactions. The nanoparticle aggregation is induced by addition of salt (NaCl), cationic protein (lysozyme) and non-ionic surfactant (C12E10) employing different kind of interactions. The results show that the interaction in presence of salt can be explained using DLVO theory whereas non-DLVO forces play important role for interaction of nanoparticles with protein and surfactant. The presence of salt screens the repulsion between charged nanoparticles giving rise to a net attraction in the DLVO potential. On the other hand, strong electrostatic attraction between nanoparticle and oppositely charged protein leads to protein-mediated nanoparticle aggregation. In case of non-ionic surfactant, the relatively long-range attractive depletion interaction is found to be responsible for the particle aggregation. Interestingly, the completely different interactions lead to similar kind of aggregate morphology. The nanoparticle aggregates formed are found to have mass fractal nature having a fractal dimension (~2.5) consistent with diffusion limited type of fractal morphology in all three cases.

Group living in squamate reptiles: a review of evidence for stable aggregations.

PubMed

Gardner, Michael G; Pearson, Sarah K; Johnston, Gregory R; Schwarz, Michael P

2016-11-01

How sociality evolves and is maintained remains a key question in evolutionary biology. Most studies to date have focused on insects, birds, and mammals but data from a wider range of taxonomic groups are essential to identify general patterns and processes. The extent of social behaviour among squamate reptiles is under-appreciated, yet they are a promising group for further studies. Living in aggregations is posited as an important step in the evolution of more complex sociality. We review data on aggregations among squamates and find evidence for some form of aggregations in 94 species across 22 families. Of these, 18 species across 7 families exhibited 'stable' aggregations that entail overlapping home ranges and stable membership in long-term (years) or seasonal aggregations. Phylogenetic analysis suggests that stable aggregations have evolved multiple times in squamates. We: (i) identify significant gaps in our understanding; (ii) outline key traits which should be the focus of future research; and (iii) outline the potential for utilising reproductive skew theory to provide insights into squamate sociality. © 2015 Cambridge Philosophical Society.

Aggregation in charged nanoparticles solutions induced by different interactions

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

Abbas, S.; Kumar, Sugam; Aswal, V. K., E-mail: vkaswal@barc.gov.in

2016-05-23

Small-angle neutron scattering (SANS) has been used to study the aggregation of anionic silica nanoparticles as induced through different interactions. The nanoparticle aggregation is induced by addition of salt (NaCl), cationic protein (lysozyme) and non-ionic surfactant (C12E10) employing different kind of interactions. The results show that the interaction in presence of salt can be explained using DLVO theory whereas non-DLVO forces play important role for interaction of nanoparticles with protein and surfactant. The presence of salt screens the repulsion between charged nanoparticles giving rise to a net attraction in the DLVO potential. On the other hand, strong electrostatic attraction betweenmore » nanoparticle and oppositely charged protein leads to protein-mediated nanoparticle aggregation. In case of non-ionic surfactant, the relatively long-range attractive depletion interaction is found to be responsible for the particle aggregation. Interestingly, the completely different interactions lead to similar kind of aggregate morphology. The nanoparticle aggregates formed are found to have mass fractal nature having a fractal dimension (~2.5) consistent with diffusion limited type of fractal morphology in all three cases.« less

A general theory of linear cosmological perturbations: scalar-tensor and vector-tensor theories

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

Lagos, Macarena; Baker, Tessa; Ferreira, Pedro G.

We present a method for parametrizing linear cosmological perturbations of theories of gravity, around homogeneous and isotropic backgrounds. The method is sufficiently general and systematic that it can be applied to theories with any degrees of freedom (DoFs) and arbitrary gauge symmetries. In this paper, we focus on scalar-tensor and vector-tensor theories, invariant under linear coordinate transformations. In the case of scalar-tensor theories, we use our framework to recover the simple parametrizations of linearized Horndeski and ''Beyond Horndeski'' theories, and also find higher-derivative corrections. In the case of vector-tensor theories, we first construct the most general quadratic action for perturbationsmore » that leads to second-order equations of motion, which propagates two scalar DoFs. Then we specialize to the case in which the vector field is time-like (à la Einstein-Aether gravity), where the theory only propagates one scalar DoF. As a result, we identify the complete forms of the quadratic actions for perturbations, and the number of free parameters that need to be defined, to cosmologically characterize these two broad classes of theories.« less

Chemical colloids versus biological colloids: a comparative study for the elucidation of the mechanism of protein fiber formation

NASA Technical Reports Server (NTRS)

Xu, Shaohua; Wu, David; Arnsdorf, Morton; Johnson, Robert; Getz, Godfrey S.; Cabana, Veneracion G.

2005-01-01

Fiber formation from murine serum amyloid A1 (SAA) was compared to the linear aggregation and fiber formation of colloidal gold particles. Here we report the similarities of these processes. Upon incubation with acetic acid, SAA misfolds and adopts a new conformation, which we termed saa. saa apparently is less soluble than SAA in aqueous solution; it aggregates and forms nucleation units and then fibers. The fibers appear as a string of the nucleation units. Additionally, an external electric field promotes saa fiber formation. These properties of saa are reminiscent of colloidal gold formation from gold ions and one-dimensional aggregation of the gold colloids. Colloidal gold particles were also found to be capable of aggregating one-dimensionally under an electric field or in the presence of polylysine. These gold fibers resembled in structure that of saa fibers. In summary, protein aggregation and formation of fibers appear to follow the generalized principles derived in colloidal science for the aggregation of atoms and molecules, including polymers such as polypeptides. The analysis of colloidal gold formation and of one-dimensional aggregation provides a simple model system for the elucidation of some aspects of protein fiber formation.

A hypothetical hierarchical mechanism of the self-assembly of the Escherichia coli RNA polymerase σ(70) subunit.

PubMed

Koroleva, O N; Dubrovin, E V; Tolstova, A P; Kuzmina, N V; Laptinskaya, T V; Yaminsky, I V; Drutsa, V L

2016-02-21

Diverse morphology of aggregates of amyloidogenic proteins has been attracting much attention in the last few years, and there is still no complete understanding of the relationships between various types of aggregates. In this work, we propose the model, which universally explains the formation of morphologically different (wormlike and rodlike) aggregates on the example of a σ(70) subunit of RNA polymerase, which has been recently shown to form amyloid fibrils. Aggregates were studied using AFM in solution and depolarized dynamic light scattering. The obtained results demonstrate comparably low Young's moduli of the wormlike structures (7.8-12.3 MPa) indicating less structured aggregation of monomeric proteins than that typical for β-sheet formation. To shed light on the molecular interaction of the protein during the aggregation, early stages of fibrillization of the σ(70) subunit were modeled using all-atom molecular dynamics. Simulations have shown that the σ(70) subunit is able to form quasi-symmetric extended dimers, which may further interact with each other and grow linearly. The proposed general model explains different pathways of σ(70) subunit aggregation and may be valid for other amyloid proteins.

Nature of the narrow optical band in H*-aggregates: Dozy-chaos–exciton coupling

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

Egorov, Vladimir V., E-mail: egorov@photonics.ru

2014-07-15

Dozy chaos emerges as a combined effect of the collective chaotic motion of electrons and nuclei, and their chaotic electromagnetic interactions in the transient state of molecules experiencing quantum transitions. Following earlier discussions of the well-known Brönsted relations for proton-transfer reactions; the temperature-dependent electron transfer in Langmuir–Blodgett films; the shape of the optical bands of polymethine dye monomers, their dimers, and J-aggregates, this paper reports one more application of the dozy-chaos theory of molecular quantum transitions. The qualitative and quantitative explanations for shape of a narrow and blue-shifted optical absorption band in H{sup *}-aggregates is given on the basis ofmore » the dozy-chaos theory by taking into account the dozy-chaos–exciton coupling effect. It is emphasized that in the H{sup *}-aggregate chromophore (dimer of cyclic bis-thiacarbocyanines) there is a competition between two Frenkel exciton transitions through the chaotic reorganization motion of nuclear environment. As a result, the highly organized quantum transition to the upper exciton state becomes an exciton-induced source of dozy chaos for the low organized transition to the lower exciton state. This manifests itself in appearing the narrow peak and broad wing in the optical spectrum pattern of H{sup *}-aggregates. A similar enhancement in the H{sup *}-effect caused by the strengthening of the exciton coupling in H{sup *}-dimers, which could be achieved by synthesizing tertiary and quarternary thiacarbocyanine monomers, is predicted.« less

An enstrophy-based linear and nonlinear receptivity theory

NASA Astrophysics Data System (ADS)

Sengupta, Aditi; Suman, V. K.; Sengupta, Tapan K.; Bhaumik, Swagata

2018-05-01

In the present research, a new theory of instability based on enstrophy is presented for incompressible flows. Explaining instability through enstrophy is counter-intuitive, as it has been usually associated with dissipation for the Navier-Stokes equation (NSE). This developed theory is valid for both linear and nonlinear stages of disturbance growth. A previously developed nonlinear theory of incompressible flow instability based on total mechanical energy described in the work of Sengupta et al. ["Vortex-induced instability of an incompressible wall-bounded shear layer," J. Fluid Mech. 493, 277-286 (2003)] is used to compare with the present enstrophy based theory. The developed equations for disturbance enstrophy and disturbance mechanical energy are derived from NSE without any simplifying assumptions, as compared to other classical linear/nonlinear theories. The theory is tested for bypass transition caused by free stream convecting vortex over a zero pressure gradient boundary layer. We explain the creation of smaller scales in the flow by a cascade of enstrophy, which creates rotationality, in general inhomogeneous flows. Linear and nonlinear versions of the theory help explain the vortex-induced instability problem under consideration.

Comparison of Linear Induction Motor Theories for the LIMRV and TLRV Motors

DOT National Transportation Integrated Search

1978-01-01

The Oberretl, Yamamura, and Mosebach theories of the linear induction motor are described and also applied to predict performance characteristics of the TLRV & LIMRV linear induction motors. The effect of finite motor width and length on performance ...

Molecular-level insights of early-stage prion protein aggregation on mica and gold surface determined by AFM imaging and molecular simulation.

PubMed

Lou, Zhichao; Wang, Bin; Guo, Cunlan; Wang, Kun; Zhang, Haiqian; Xu, Bingqian

2015-11-01

By in situ time-lapse AFM, we investigated early-stage aggregates of PrP formed at low concentration (100 ng/mL) on mica and Au(111) surfaces in acetate buffer (pH 4.5). Remarkably different PrP assemblies were observed. Oligomeric structures of PrP aggregates were observed on mica surface, which was in sharp contrast to the multi-layer PrP aggregates yielding parallel linear patterns observed Au(111) surface. Combining molecular dynamics and docking simulations, PrP monomers, dimers and trimers were revealed as the basic units of the observed aggregates. Besides, the mechanisms of the observed PrP aggregations and the corresponding molecular-substrate and intermolecular interactions were suggested. These interactions involved gold-sulfur interaction, electrostatic interaction, hydrophobic interaction, and hydrogen binding interaction. In contrast, the PrP aggregates observed in pH 7.2 PBS buffer demonstrated similar large ball-like structures on both mica and Au(111) surfaces. The results indicate that the pH of a solution and the surface of the system can have strong effects on supramolecular assemblies of prion proteins. This study provides in-depth understanding on the structural and mechanistic nature of PrP aggregation, and can be used to study the aggregation mechanisms of other proteins with similar misfolding properties. Copyright © 2015 Elsevier B.V. All rights reserved.

Modification of the USLE K factor for soil erodibility assessment on calcareous soils in Iran

NASA Astrophysics Data System (ADS)

Ostovari, Yaser; Ghorbani-Dashtaki, Shoja; Bahrami, Hossein-Ali; Naderi, Mehdi; Dematte, Jose Alexandre M.; Kerry, Ruth

2016-11-01

The measurement of soil erodibility (K) in the field is tedious, time-consuming and expensive; therefore, its prediction through pedotransfer functions (PTFs) could be far less costly and time-consuming. The aim of this study was to develop new PTFs to estimate the K factor using multiple linear regression, Mamdani fuzzy inference systems, and artificial neural networks. For this purpose, K was measured in 40 erosion plots with natural rainfall. Various soil properties including the soil particle size distribution, calcium carbonate equivalent, organic matter, permeability, and wet-aggregate stability were measured. The results showed that the mean measured K was 0.014 t h MJ- 1 mm- 1 and 2.08 times less than the estimated mean K (0.030 t h MJ- 1 mm- 1) using the USLE model. Permeability, wet-aggregate stability, very fine sand, and calcium carbonate were selected as independent variables by forward stepwise regression in order to assess the ability of multiple linear regression, Mamdani fuzzy inference systems and artificial neural networks to predict K. The calcium carbonate equivalent, which is not accounted for in the USLE model, had a significant impact on K in multiple linear regression due to its strong influence on the stability of aggregates and soil permeability. Statistical indices in validation and calibration datasets determined that the artificial neural networks method with the highest R2, lowest RMSE, and lowest ME was the best model for estimating the K factor. A strong correlation (R2 = 0.81, n = 40, p < 0.05) between the estimated K from multiple linear regression and measured K indicates that the use of calcium carbonate equivalent as a predictor variable gives a better estimation of K in areas with calcareous soils.

SU-E-T-186: Cloud-Based Quality Assurance Application for Linear Accelerator Commissioning

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

Rogers, J

2015-06-15

Purpose: To identify anomalies and safety issues during data collection and modeling for treatment planning systems Methods: A cloud-based quality assurance system (AQUIRE - Automated QUalIty REassurance) has been developed to allow the uploading and analysis of beam data aquired during the treatment planning system commissioning process. In addition to comparing and aggregating measured data, tools have also been developed to extract dose from the treatment planning system for end-to-end testing. A gamma index is perfomed on the data to give a dose difference and distance-to-agreement for validation that a beam model is generating plans consistent with the beam datamore » collection. Results: Over 20 linear accelerators have been commissioning using this platform, and a variety of errors and potential saftey issues have been caught through the validation process. For example, the gamma index of 2% dose, 2mm DTA is quite sufficient to see curves not corrected for effective point of measurement. Also, data imported into the database is analyzed against an aggregate of similar linear accelerators to show data points that are outliers. The resulting curves in the database exhibit a very small standard deviation and imply that a preconfigured beam model based on aggregated linear accelerators will be sufficient in most cases. Conclusion: With the use of this new platform for beam data commissioning, errors in beam data collection and treatment planning system modeling are greatly reduced. With the reduction in errors during acquisition, the resulting beam models are quite similar, suggesting that a common beam model may be possible in the future. Development is ongoing to create routine quality assurance tools to compare back to the beam data acquired during commissioning. I am a medical physicist for Alzyen Medical Physics, and perform commissioning services.« less

Impact of environmental conditions on aggregation kinetics of hematite and goethite nanoparticles

NASA Astrophysics Data System (ADS)

Xu, Chen-yang; Deng, Kai-ying; Li, Jiu-yu; Xu, Ren-kou

2015-10-01

Hematite and goethite nanoparticles were used as model minerals to investigate their aggregation kinetics under soil environmental conditions in the present study. The hydrodynamic diameters of hematite and goethite nanoparticles were 34.4 and 66.3 nm, respectively. The positive surface charges and zeta potential values for goethite were higher than for hematite. The effective diameter for goethite was much larger than for hematite due to anisotropic sticking of needle-shaped goethite during aggregation. Moreover, the critical coagulation concentration (CCC) values of nanoparticles in solutions of NaNO3, NaCl, NaF, and Na2SO4 were 79.2, 75.0, 7.8, and 0.5 mM for hematite and they were 54.7, 62.6, 5.5, and 0.2 mM for goethite, respectively. The disparity of anions in inducing hematite or goethite aggregation lay in the differences in interfacial interactions. NO3 - and Cl- could decrease the zeta potential and enhance aggregation mainly through increasing ionic strength and compressing electric double layers of hematite and goethite nanoparticles. F- and SO4 2- highly destabilized the suspensions of nanoparticles mainly through specific adsorption and then neutralizing the positive surface charges of nanoparticles. Specific adsorption of cations could increase positive surface charges and stabilize hematite and goethite nanoparticles. The Hamaker constants of hematite and goethite nanoparticles were calculated to be 2.87 × 10-20 and 2.29 × 10-20 J-1, respectively. The predicted CCC values based on DLVO theory were consistent well with the experimentally determined CCC values in NaNO3, NaCl, NaF, and Na2SO4 systems, which demonstrated that DLVO theory could successfully predict the aggregation kinetics even when specific adsorption of ions occurred.

Synthesis, molecular, electronic structure, linear and non-linear optical and phototransient properties of 8-methyl-1,2-dihydro-4H-chromeno[2,3-b]quinoline-4,6(3H)-dione (MDCQD): Experimental and DFT investigations

NASA Astrophysics Data System (ADS)

Farag, A. A. M.; Roushdy, N.; Halim, Shimaa Abdel; El-Gohary, Nasser M.; Ibrahim, Magdy A.; Said, Sara

2018-02-01

Base catalysed ring opening ring closure (RORC) reaction of 6-methylchromone-3-carbonitrile (1) with 1,3-cyclohexanedione afforded 8-methyl-1,2-dihydro-4H-chromeno[2,3-b]quinoline-4,6(3H)-dione (MDCQD). Theoretical calculations by Density Functional Theory (DFT) at the B3LYP/6-311G (d,p) level of theory was utilized to illustrate the equilibrium geometries of MDCQD. Also, the nonlinear optical properties, simple harmonic vibrational frequencies, thermo-chemical parameters and Mullikan atomic charges were calculated. In addition, the electronic absorption spectra in polar and non polar solvents were discussed on the basis of TD-DFT calculations. A nanofiber-like structure with high aggregation was resolved by using scanning electron microscopy images and its particle sizes were measured by particle size analyzer. The spectroscopic characteristics of the prepared thin film of MDCQD were studied in a wide spectral range of 200-2500 nm. The analysis of the absorption edges affords two direct optical band gaps with energies of 1.00 and 2.76 eV. A characteristic emission peak of photoluminescence spectrum in the visible region was detected and has a red-shift as a result of solvent polarity. The MDCQD film based heterojunction showed rectification behavior and diode-like characteristics. The photovoltaic characteristics under illumination of 100 mW/cm2 were studied. The open-circuit voltage and short-circuit current were found to be 0.22 V and 4.25 × 10- 7 A/cm2, respectively. Moreover, the prepared heterojunction showed remarkable phototransient characteristics which afford the probability for the operation as a photodiode.

Synthesis, molecular, electronic structure, linear and non-linear optical and phototransient properties of 8-methyl-1,2-dihydro-4H-chromeno[2,3-b]quinoline-4,6(3H)-dione (MDCQD): Experimental and DFT investigations.

PubMed

Farag, A A M; Roushdy, N; Halim, Shimaa Abdel; El-Gohary, Nasser M; Ibrahim, Magdy A; Said, Sara

2018-02-15

Base catalysed ring opening ring closure (RORC) reaction of 6-methylchromone-3‑carbonitrile (1) with 1,3-cyclohexanedione afforded 8-methyl-1,2-dihydro-4H-chromeno[2,3-b]quinoline-4,6(3H)-dione (MDCQD). Theoretical calculations by Density Functional Theory (DFT) at the B3LYP/6-311G (d,p) level of theory was utilized to illustrate the equilibrium geometries of MDCQD. Also, the nonlinear optical properties, simple harmonic vibrational frequencies, thermo-chemical parameters and Mullikan atomic charges were calculated. In addition, the electronic absorption spectra in polar and non polar solvents were discussed on the basis of TD-DFT calculations. A nanofiber-like structure with high aggregation was resolved by using scanning electron microscopy images and its particle sizes were measured by particle size analyzer. The spectroscopic characteristics of the prepared thin film of MDCQD were studied in a wide spectral range of 200-2500nm. The analysis of the absorption edges affords two direct optical band gaps with energies of 1.00 and 2.76eV. A characteristic emission peak of photoluminescence spectrum in the visible region was detected and has a red-shift as a result of solvent polarity. The MDCQD film based heterojunction showed rectification behavior and diode-like characteristics. The photovoltaic characteristics under illumination of 100mW/cm 2 were studied. The open-circuit voltage and short-circuit current were found to be 0.22V and 4.25×10 -7 A/cm 2 , respectively. Moreover, the prepared heterojunction showed remarkable phototransient characteristics which afford the probability for the operation as a photodiode. Copyright © 2017. Published by Elsevier B.V.

Modeling Fusion of Cellular Aggregates in Biofabrication Using Phase Field Theories (Preprint)

DTIC Science & Technology

2011-01-01

biofabrication process known as bioprinting [25], live multicellular aggregates/clusters are used to make tissue or organ constructs via the layer-by-layer...recipient organism , where the maturation of the new organ takes place [17, 24]. In a novel biomimetic biofabrication process, called “ bioprinting ...fundamental biophysical process in emerging organ bioprinting technology. The bio-constructs ranging from the ones comprised of tissue spheroids to

The rules of information aggregation and emergence of collective intelligent behavior.

PubMed

Bettencourt, Luís M A

2009-10-01

Information is a peculiar quantity. Unlike matter and energy, which are conserved by the laws of physics, the aggregation of knowledge from many sources can in fact produce more information (synergy) or less (redundancy) than the sum of its parts. This feature can endow groups with problem-solving strategies that are superior to those possible among noninteracting individuals and, in turn, may provide a selection drive toward collective cooperation and coordination. Here we explore the formal properties of information aggregation as a general principle for explaining features of social organization. We quantify information in terms of the general formalism of information theory, which also prescribes the rules of how different pieces of evidence inform the solution of a given problem. We then show how several canonical examples of collective cognition and coordination can be understood through principles of minimization of uncertainty (maximization of predictability) under information pooling over many individuals. We discuss in some detail how collective coordination in swarms, markets, natural language processing, and collaborative filtering may be guided by the optimal aggregation of information in social collectives. We also identify circumstances when these processes fail, leading, for example, to inefficient markets. The contrast to approaches to understand coordination and collaboration via decision and game theory is also briefly discussed. Copyright © 2009 Cognitive Science Society, Inc.

Scanning Electron Microscope Studies on Aggregation Characteristics of Alumina Nanofluids

DTIC Science & Technology

2013-08-01

acoustic cavitation refers to the formation, growth and implosive collapse of bubbles in a liquid due to ultrasound that passes through the liquid...1 2.0 THEORY: ACOUSTIC CAVITATION AND AGGLOMERATION...be achieved to maximize the overall thermal conductivity of the nanofluid. 2.0 THEORY: ACOUSTIC CAVITATION AND AGGLOMERATION The phenomenon of

Micro-structure and Swelling Behaviour of Compacted Clayey Soils: A Quantitative Approach

NASA Astrophysics Data System (ADS)

Ferber, Valéry; Auriol, Jean-Claude; David, Jean-Pierre

In this paper, the clay aggregate volume and inter-aggregate volume in compacted clayey soils are quantified, on the basis of simple hypothesis, using only their water content and dry density. Swelling tests on a highly plastic clay are then interpreted by describing the influence of the inter-aggregate volume before swelling on the total volume of samples after swelling. This approach leads to a linear relation between these latter parameters. Based on these results, a description of the evolution of the microstructure due to imbibition can be proposed. Moreover, this approach enables a general quantification of the influence of initial water content and dry density on the swelling behaviour of compacted clayey soils.

How does non-linear dynamics affect the baryon acoustic oscillation?

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

Sugiyama, Naonori S.; Spergel, David N., E-mail: nao.s.sugiyama@gmail.com, E-mail: dns@astro.princeton.edu

2014-02-01

We study the non-linear behavior of the baryon acoustic oscillation in the power spectrum and the correlation function by decomposing the dark matter perturbations into the short- and long-wavelength modes. The evolution of the dark matter fluctuations can be described as a global coordinate transformation caused by the long-wavelength displacement vector acting on short-wavelength matter perturbation undergoing non-linear growth. Using this feature, we investigate the well known cancellation of the high-k solutions in the standard perturbation theory. While the standard perturbation theory naturally satisfies the cancellation of the high-k solutions, some of the recently proposed improved perturbation theories do notmore » guarantee the cancellation. We show that this cancellation clarifies the success of the standard perturbation theory at the 2-loop order in describing the amplitude of the non-linear power spectrum even at high-k regions. We propose an extension of the standard 2-loop level perturbation theory model of the non-linear power spectrum that more accurately models the non-linear evolution of the baryon acoustic oscillation than the standard perturbation theory. The model consists of simple and intuitive parts: the non-linear evolution of the smoothed power spectrum without the baryon acoustic oscillations and the non-linear evolution of the baryon acoustic oscillations due to the large-scale velocity of dark matter and due to the gravitational attraction between dark matter particles. Our extended model predicts the smoothing parameter of the baryon acoustic oscillation peak at z = 0.35 as ∼ 7.7Mpc/h and describes the small non-linear shift in the peak position due to the galaxy random motions.« less

Line Narrowing of Excited-State Transitions in Nonlinear Polarization Spectroscopy: Application to Water-Soluble Chlorophyll-Binding Protein

NASA Astrophysics Data System (ADS)

Schoth, Mario; Richter, Marten; Knorr, Andreas; Renger, Thomas

2012-04-01

The homogeneous linewidth of dye aggregates like photosynthetic light-harvesting complexes contains important information about energy transfer and relaxation times that is, however, masked by inhomogeneous broadening caused by static disorder. Whereas there exist line narrowing techniques for the study of low-energy exciton states, the homogeneous linewidth of the high-energy states is not so easy to decipher. Here we present a microscopic theory for nonlinear polarization spectroscopy in the frequency domain that contains a dynamic aggregate selection revealing the homogeneous linewidth of these states. The theory is applied to the water-soluble chlorophyll-binding protein for which the high-energy exciton state was predicted to exhibit a sub-100-fs lifetime.

Informed herbivore movement and interplant communication determine the effects of induced resistance in an individual-based model.

PubMed

Rubin, Ilan N; Ellner, Stephen P; Kessler, André; Morrell, Kimberly A

2015-09-01

1. Plant induced resistance to herbivory affects the spatial distribution of herbivores, as well as their performance. In recent years, theories regarding the benefit to plants of induced resistance have shifted from ideas of optimal resource allocation towards a more eclectic set of theories that consider spatial and temporal plant variability and the spatial distribution of herbivores among plants. However, consensus is lacking on whether induced resistance causes increased herbivore aggregation or increased evenness, as both trends have been experimentally documented. 2. We created a spatial individual-based model that can describe many plant-herbivore systems with induced resistance, in order to analyse how different aspects of induced resistance might affect herbivore distribution, and the total damage to a plant population, during a growing season. 3. We analyse the specific effects on herbivore aggregation of informed herbivore movement (preferential movement to less-damaged plants) and of information transfer between plants about herbivore attacks, in order to identify mechanisms driving both aggregation and evenness. We also investigate how the resulting herbivore distributions affect the total damage to plants and aggregation of damage. 4. Even, random and aggregated herbivore distributions can all occur in our model with induced resistance. Highest levels of aggregation occurred in the models with informed herbivore movement, and the most even distributions occurred when the average number of herbivores per plant was low. With constitutive resistance, only random distributions occur. Damage to plants was spatially correlated, unless plants recover very quickly from damage; herbivore spatial autocorrelation was always weak. 5. Our model and results provide a simple explanation for the apparent conflict between experimental results, indicating that both increased aggregation and increased evenness of herbivores can result from induced resistance. We demonstrate that information transfer from plants to herbivores, and from plants to neighbouring plants, can both be major factors in determining non-random herbivore distributions. © 2015 The Authors. Journal of Animal Ecology © 2015 British Ecological Society.

Exciton-vibrational coupling in the dynamics and spectroscopy of Frenkel excitons in molecular aggregates

NASA Astrophysics Data System (ADS)

Schröter, M.; Ivanov, S. D.; Schulze, J.; Polyutov, S. P.; Yan, Y.; Pullerits, T.; Kühn, O.

2015-03-01

The influence of exciton-vibrational coupling on the optical and transport properties of molecular aggregates is an old problem that gained renewed interest in recent years. On the experimental side, various nonlinear spectroscopic techniques gave insight into the dynamics of systems as complex as photosynthetic antennae. Striking evidence was gathered that in these protein-pigment complexes quantum coherence is operative even at room temperature conditions. Investigations were triggered to understand the role of vibrational degrees of freedom, beyond that of a heat bath characterized by thermal fluctuations. This development was paralleled by theory, where efficient methods emerged, which could provide the proper frame to perform non-Markovian and non-perturbative simulations of exciton-vibrational dynamics and spectroscopy. This review summarizes the state of affairs of the theory of exciton-vibrational interaction in molecular aggregates and photosynthetic antenna complexes. The focus is put on the discussion of basic effects of exciton-vibrational interaction from the stationary and dynamics points of view. Here, the molecular dimer plays a prominent role as it permits a systematic investigation of absorption and emission spectra by numerical diagonalization of the exciton-vibrational Hamiltonian in a truncated Hilbert space. An extension to larger aggregates, having many coupled nuclear degrees of freedom, becomes possible with the Multi-Layer Multi-Configuration Time-Dependent Hartree (ML-MCTDH) method for wave packet propagation. In fact it will be shown that this method allows one to approach the limit of almost continuous spectral densities, which is usually the realm of density matrix theory. Real system-bath situations are introduced for two models, which differ in the way strongly coupled nuclear coordinates are treated, as a part of the relevant system or the bath. A rather detailed exposition of the Hierarchy Equations Of Motion (HEOM) method will be given in terms of a stochastic decoupling ansatz. This method has become the standard in exciton-vibrational theory and illustrative examples will be presented as well as a comparison with ML-MCTDH. Applications will be shown for generic model systems as well as for small aggregates mimicking those formed by perylene bisimide dyes. Further, photosynthetic antenna complexes will be discussed, including spectral densities and the role of exciton-vibrational coupling in two-dimensional electronic spectroscopy.

Research in Applied Mathematics Related to Mathematical System Theory.

DTIC Science & Technology

1977-06-01

This report deals with research results obtained in the field of mathematical system theory . Special emphasis was given to the following areas: (1...Linear system theory over a field: parametrization of multi-input, multi-output systems and the geometric structure of classes of systems of...constant dimension. (2) Linear systems over a ring: development of the theory for very general classes of rings. (3) Nonlinear system theory : basic

Large-Scale Linear Optimization through Machine Learning: From Theory to Practical System Design and Implementation

DTIC Science & Technology

2016-08-10

AFRL-AFOSR-JP-TR-2016-0073 Large-scale Linear Optimization through Machine Learning: From Theory to Practical System Design and Implementation ...2016 4.  TITLE AND SUBTITLE Large-scale Linear Optimization through Machine Learning: From Theory to Practical System Design and Implementation 5a...performances on various machine learning tasks and it naturally lends itself to fast parallel implementations . Despite this, very little work has been

A reciprocal theorem for a mixture theory. [development of linearized theory of interacting media

NASA Technical Reports Server (NTRS)

Martin, C. J.; Lee, Y. M.

1972-01-01

A dynamic reciprocal theorem for a linearized theory of interacting media is developed. The constituents of the mixture are a linear elastic solid and a linearly viscous fluid. In addition to Steel's field equations, boundary conditions and inequalities on the material constants that have been shown by Atkin, Chadwick and Steel to be sufficient to guarantee uniqueness of solution to initial-boundary value problems are used. The elements of the theory are given and two different boundary value problems are considered. The reciprocal theorem is derived with the aid of the Laplace transform and the divergence theorem and this section is concluded with a discussion of the special cases which arise when one of the constituents of the mixture is absent.

Shear-induced aggregation dynamics in a polymer microrod suspension

NASA Astrophysics Data System (ADS)

Kumar, Pramukta S.

A non-Brownian suspension of micron scale rods is found to exhibit reversible shear-driven formation of disordered aggregates resulting in dramatic viscosity enhancement at low shear rates. Aggregate formation is imaged at low magnification using a combined rheometer and fluorescence microscope system. The size and structure of these aggregates are found to depend on shear rate and concentration, with larger aggregates present at lower shear rates and higher concentrations. Quantitative measurements of the early-stage aggregation process are modeled by a collision driven growth of porous structures which show that the aggregate density increases with a shear rate. A Krieger-Dougherty type constitutive relation and steady-state viscosity measurements are used to estimate the intrinsic viscosity of complex structures developed under shear. Higher magnification images are collected and used to validate the aggregate size versus density relationship, as well as to obtain particle flow fields via PIV. The flow fields provide a tantalizing view of fluctuations involved in the aggregation process. Interaction strength is estimated via contact force measurements and JKR theory and found to be extremely strong in comparison to shear forces present in the system, estimated using hydrodynamic arguments. All of the results are then combined to produce a consistent conceptual model of aggregation in the system that features testable consequences. These results represent a direct, quantitative, experimental study of aggregation and viscosity enhancement in rod suspension, and demonstrate a strategy for inferring inaccessible microscopic geometric properties of a dynamic system through the combination of quantitative imaging and rheology.

Study on longitudinal dispersion relation in one-dimensional relativistic plasma: Linear theory and Vlasov simulation

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

Zhang, H.; Wu, S. Z.; Zhou, C. T.

2013-09-15

The dispersion relation of one-dimensional longitudinal plasma waves in relativistic homogeneous plasmas is investigated with both linear theory and Vlasov simulation in this paper. From the Vlasov-Poisson equations, the linear dispersion relation is derived for the proper one-dimensional Jüttner distribution. Numerically obtained linear dispersion relation as well as an approximate formula for plasma wave frequency in the long wavelength limit is given. The dispersion of longitudinal wave is also simulated with a relativistic Vlasov code. The real and imaginary parts of dispersion relation are well studied by varying wave number and plasma temperature. Simulation results are in agreement with establishedmore » linear theory.« less

Lie algebras and linear differential equations.

NASA Technical Reports Server (NTRS)

Brockett, R. W.; Rahimi, A.

1972-01-01

Certain symmetry properties possessed by the solutions of linear differential equations are examined. For this purpose, some basic ideas from the theory of finite dimensional linear systems are used together with the work of Wei and Norman on the use of Lie algebraic methods in differential equation theory.

A mechanistic model for the evolution of multicellularity

NASA Astrophysics Data System (ADS)

Amado, André; Batista, Carlos; Campos, Paulo R. A.

2018-02-01

Through a mechanistic approach we investigate the formation of aggregates of variable sizes, accounting mechanisms of aggregation, dissociation, death and reproduction. In our model, cells can produce two metabolites, but the simultaneous production of both metabolites is costly in terms of fitness. Thus, the formation of larger groups can favor the aggregates to evolve to a configuration where division of labor arises. It is assumed that the states of the cells in a group are those that maximize organismal fitness. In the model it is considered that the groups can grow linearly, forming a chain, or compactly keeping a roughly spherical shape. Starting from a population consisting of single-celled organisms, we observe the formation of groups with variable sizes and usually much larger than two-cell aggregates. Natural selection can favor the formation of large groups, which allows the system to achieve new and larger fitness maxima.

Colorimetric detection of biothiols based on aggregation of chitosan-stabilized silver nanoparticles

NASA Astrophysics Data System (ADS)

Mohammadi, Somayeh; Khayatian, Gholamreza

2017-10-01

We have described a simple and reliable colorimetric method for the sensing of biothiols such as cysteine, homocysteine, and glutathione in biological samples. The selective binding of chitosan capped silver nanoparticles to biothiols induced aggregation of the chitosan-Ag NPs. But the other amino acids that do not have thiol group cannot aggregate the chitosan-Ag NPs. Aggregation of chitosan-Ag NPs has been confirmed with UV-vis absorption spectra, zeta potential and transmission electron microscopy images. Under optimum conditions, good linear relationships existed between the absorption ratios (at A500/A415) and the concentrations of cysteine, homocysteine, and glutathione in the range of 0.1-10.0 μM with detection limits of 15.0, 84.6 and 40.0 nM, respectively. This probe was successfully applied to detect these biothiols in biological samples (urine and plasma).

Exploiting Identical Generators in Unit Commitment

DOE PAGES

Knueven, Ben; Ostrowski, Jim; Watson, Jean -Paul

2017-12-14

Here, we present sufficient conditions under which thermal generators can be aggregated in mixed-integer linear programming (MILP) formulations of the unit commitment (UC) problem, while maintaining feasibility and optimality for the original disaggregated problem. Aggregating thermal generators with identical characteristics (e.g., minimum/maximum power output, minimum up/down-time, and cost curves) into a single unit reduces redundancy in the search space induced by both exact symmetry (permutations of generator schedules) and certain classes of mutually non-dominated solutions. We study the impact of aggregation on two large-scale UC instances, one from the academic literature and another based on real-world operator data. Our computationalmore » tests demonstrate that when present, identical generators can negatively affect the performance of modern MILP solvers on UC formulations. Further, we show that our reformation of the UC MILP through aggregation is an effective method for mitigating this source of computational difficulty.« less

Exploiting Identical Generators in Unit Commitment

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

Knueven, Ben; Ostrowski, Jim; Watson, Jean -Paul

Here, we present sufficient conditions under which thermal generators can be aggregated in mixed-integer linear programming (MILP) formulations of the unit commitment (UC) problem, while maintaining feasibility and optimality for the original disaggregated problem. Aggregating thermal generators with identical characteristics (e.g., minimum/maximum power output, minimum up/down-time, and cost curves) into a single unit reduces redundancy in the search space induced by both exact symmetry (permutations of generator schedules) and certain classes of mutually non-dominated solutions. We study the impact of aggregation on two large-scale UC instances, one from the academic literature and another based on real-world operator data. Our computationalmore » tests demonstrate that when present, identical generators can negatively affect the performance of modern MILP solvers on UC formulations. Further, we show that our reformation of the UC MILP through aggregation is an effective method for mitigating this source of computational difficulty.« less

Intermolecular interactions and aggregation of fac-tris(2-phenylpyridinato-C2,N)iridium(III) in nonpolar solvents.

PubMed

Takayasu, Satoshi; Suzuki, Takayoshi; Shinozaki, Kazuteru

2013-08-15

The intermolecular interaction and aggregation of the neutral complex fac-tris(2-phenylpyridinato-C(2),N)iridium(III) (fac-Ir(ppy)3) in solution was investigated. Intermolecular interactions were found to effectively decrease the luminescence lifetime via self-quenching with increasing fac-Ir(ppy)3 concentrations. A Stern-Volmer plot for quenching in acetonitrile was linear, due to bimolecular self-quenching, but curved in toluene as the result of excimer formation. (1)H NMR spectra demonstrated a monomer-aggregate equilibrium which resulted in spectral shifts depending on solvent polarity. X-ray crystallography provided structural information concerning the aggregate, which is based on a tetramer consisting of two Δ-fac-Ir(ppy)3-Λ-fac-Ir(ppy)3 pairs. Offset π-π stacking of ppy ligands and electrostatic dipole-dipole interactions between complex molecules play an important role in the formation of these molecular pairs.

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

NASA Technical Reports Server (NTRS)

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

1973-01-01

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

Correlation among extinction efficiency and other parameters in an aggregate dust model

NASA Astrophysics Data System (ADS)

Dhar, Tanuj Kumar; Sekhar Das, Himadri

2017-10-01

We study the extinction properties of highly porous Ballistic Cluster-Cluster Aggregate dust aggregates in a wide range of complex refractive indices (1.4≤ n≤ 2.0, 0.001≤ k≤ 1.0) and wavelengths (0.11 {{μ }}{{m}}≤ {{λ }}≤ 3.4 {{μ }} m). An attempt has been made for the first time to investigate the correlation among extinction efficiency ({Q}{ext}), composition of dust aggregates (n,k), wavelength of radiation (λ) and size parameter of the monomers (x). If k is fixed at any value between 0.001 and 1.0, {Q}{ext} increases with increase of n from 1.4 to 2.0. {Q}{ext} and n are correlated via linear regression when the cluster size is small, whereas the correlation is quadratic at moderate and higher sizes of the cluster. This feature is observed at all wavelengths (ultraviolet to optical to infrared). We also find that the variation of {Q}{ext} with n is very small when λ is high. When n is fixed at any value between 1.4 and 2.0, it is observed that {Q}{ext} and k are correlated via a polynomial regression equation (of degree 1, 2, 3 or 4), where the degree of the equation depends on the cluster size, n and λ. The correlation is linear for small size and quadratic/cubic/quartic for moderate and higher sizes. We have also found that {Q}{ext} and x are correlated via a polynomial regression (of degree 3, 4 or 5) for all values of n. The degree of regression is found to be n and k-dependent. The set of relations obtained from our work can be used to model interstellar extinction for dust aggregates in a wide range of wavelengths and complex refractive indices.

Can hydro-economic river basin models simulate water shadow prices under asymmetric access?

PubMed

Kuhn, A; Britz, W

2012-01-01

Hydro-economic river basin models (HERBM) based on mathematical programming are conventionally formulated as explicit 'aggregate optimization' problems with a single, aggregate objective function. Often unintended, this format implicitly assumes that decisions on water allocation are made via central planning or functioning markets such as to maximize social welfare. In the absence of perfect water markets, however, individually optimal decisions by water users will differ from the social optimum. Classical aggregate HERBMs cannot simulate that situation and thus might be unable to describe existing institutions governing access to water and might produce biased results for alternative ones. We propose a new solution format for HERBMs, based on the format of the mixed complementarity problem (MCP), where modified shadow price relations express spatial externalities resulting from asymmetric access to water use. This new problem format, as opposed to commonly used linear (LP) or non-linear programming (NLP) approaches, enables the simultaneous simulation of numerous 'independent optimization' decisions by multiple water users while maintaining physical interdependences based on water use and flow in the river basin. We show that the alternative problem format allows the formulation HERBMs that yield more realistic results when comparing different water management institutions.

Basic Research in the Mathematical Foundations of Stability Theory, Control Theory and Numerical Linear Algebra.

DTIC Science & Technology

1979-09-01

without determinantal divisors, Linear and Multilinear Algebra 7(1979), 107-109. 4. The use of integral operators in number theory (with C. Ryavec and...Gersgorin revisited, to appear in Letters in Linear Algebra. 15. A surprising determinantal inequality for real matrices (with C.R. Johnson), to appear in...Analysis: An Essay Concerning the Limitations of Some Mathematical Methods in the Social , Political and Biological Sciences, David Berlinski, MIT Press

Aggregation Kinetics of Diesel Soot Nanoparticles in Wet Environments.

PubMed

Chen, Chengyu; Huang, Weilin

2017-02-21

Soot produced during incomplete combustion consists mainly of carbonaceous nanoparticles (NPs) with severe adverse environmental and health effects, and its environmental fate and transport are largely controlled by aggregation. In this study, we examined the aggregation behavior for diesel soot NPs under aqueous condition in an effort to elucidate the fundamental processes that govern soot particle-particle interactions in wet environments such as rain droplets or surface aquatic systems. The influence of electrolytes and aqueous pH on colloidal stability of these NPs was investigated by measuring their aggregation kinetics in different aqueous solution chemistries. The results showed that the NPs had negatively charged surfaces and exhibited both reaction- and diffusion-limited aggregation regimes with rates depended upon solution chemistry. The aggregation kinetics data were in good agreement with the classic Derjaguin-Landau-Verwey-Overbeek (DLVO) theory. The critical coagulation concentrations (CCC) were quantified and the Hamaker constant was derived for the soot (1.4 × 10 -20 J) using the colloidal chemistry approach. The study indicated that, depending upon local aqueous chemistry, single soot NPs could remain stable against self-aggregation in typical freshwater environments and in neutral cloud droplets but are likely to aggregate under salty (e.g., estuaries) or acidic (e.g., acid rain droplets) aquatic conditions or both.

Aggregate-based sub-CMC Solubilization of Hexadecane by Surfactants.

PubMed

Zhong, Hua; Yang, Lei; Zeng, Guangming; Brusseau, Mark L; Wang, Yake; Li, Yang; Liu, Zhifeng; Yuan, Xingzhong; Tan, Fei

Solubilization of hexadecane by two surfactants, SDBS and Triton X-100, at concentrations near the critical micelle concentration (CMC) and the related aggregation behavior was investigated in this study. Solubilization was observed at surfactant concentrations lower than CMC, and the apparent solubility of hexadecane increased linearly with surfactant concentration for both surfactants. The capacity of SDBS to solubilize hexadecane is stronger at concentrations below CMC than above CMC. In contrast, Triton X-100 shows no difference. The results of dynamic light scattering (DLS) and cryogenic TEM analysis show aggregate formation at surfactant concentrations lower than CMC. DLS-based size of the aggregates ( d ) decreases with increasing surfactant concentration. Zeta potential of the SDBS aggregates decreases with increasing SDBS concentration, whereas it increases for Triton X-100. The surface excess (Γ) of SDBS calculated based on hexadecane solubility and aggregate size data increases rapidly with increasing bulk concentration, and then asymptotically approaches the maximum surface excess (Γ max ). Conversely, there is only a minor increase in Γ for Triton X-100. Comparison of Γ and d indicates that excess of surfactant molecules at aggregate surface has great impact on surface curvature. The results of this study demonstrate formation of aggregates at surfactant concentrations below CMC for hexadecane solubilization, and indicate the potential of employing low-concentration strategy for surfactant application such as remediation of HOC contaminated sites.

Stacking and Branching in Self-Aggregation of Caffeine in Aqueous Solution: From the Supramolecular to Atomic Scale Clustering.

PubMed

Tavagnacco, Letizia; Gerelli, Yuri; Cesàro, Attilio; Brady, John W

2016-09-22

The dynamical and structural properties of caffeine solutions at the solubility limit have been investigated as a function of temperature by means of MD simulations, static and dynamic light scattering, and small angle neutron scattering experiments. A clear picture unambiguously supported by both experiment and simulation emerges: caffeine self-aggregation promotes the formation of two distinct types of clusters: linear aggregates of stacked molecules, formed by 2-14 caffeine molecules depending on the thermodynamic conditions and disordered branched aggregates with a size in the range 1000-3000 Å. While the first type of association is well-known to occur under room temperature conditions for both caffeine and other purine systems, such as nucleotides, the presence of the supramolecular aggregates has not been reported previously. MD simulations indicate that branched structures are formed by caffeine molecules in a T-shaped arrangement. An increase of the solubility limit (higher temperature but also higher concentration) broadens the distribution of cluster sizes, promoting the formation of stacked aggregates composed by a larger number of caffeine molecules. Surprisingly, the effect on the branched aggregates is rather limited. Their internal structure and size do not change considerably in the range of solubility limits investigated.

Minimum free-energy paths for the self-organization of polymer brushes.

PubMed

Gleria, Ignacio; Mocskos, Esteban; Tagliazucchi, Mario

2017-03-22

A methodology to calculate minimum free-energy paths based on the combination of a molecular theory and the improved string method is introduced and applied to study the self-organization of polymer brushes under poor solvent conditions. Polymer brushes in a poor solvent cannot undergo macroscopic phase separation due to the physical constraint imposed by the grafting points; therefore, they microphase separate forming aggregates. Under some conditions, the theory predicts that the homogeneous brush and the aggregates can exist as two different minima of the free energy. The theoretical methodology introduced in this work allows us to predict the minimum free-energy path connecting these two minima as well as the morphology of the system along the path. It is shown that the transition between the homogeneous brush and the aggregates may involve a free-energy barrier or be barrierless depending on the relative stability of the two morphologies and the chain length and grafting density of the polymer. In the case where a free-energy barrier exists, one of the morphologies is a metastable structure and, therefore, the properties of the brush as the quality of the solvent is cycled are expected to display hysteresis. The theory is also applied to study the adhesion/deadhesion transition between two opposing surfaces modified by identical polymer brushes and it is shown that this process may also require surpassing a free-energy barrier.

MATHEMATICAL MODELING OF PESTICIDES IN THE ENVIRONMENT: CURRENT AND FUTURE DEVELOPMENTS

EPA Science Inventory

Transport models, total ecosystem models with aggregated linear approximations, evaluative models, hierarchical models, and influence analysis methods are mathematical techniques that are particularly applicable to the problems encountered when characterizing pesticide chemicals ...

Experimental Study on Stress Monitoring of Sand-Filled Steel Tube during Impact Using Piezoceramic Smart Aggregates.

PubMed

Du, Guofeng; Zhang, Juan; Zhang, Jicheng; Song, Gangbing

2017-08-22

The filling of thin-walled steel tubes with quartz sand can help to prevent the premature buckling of the steel tube at a low cost. During an impact, the internal stress of the quartz sand-filled steel tube column is subjected to not only axial force but also lateral confining force, resulting in complicated internal stress. A suitable sensor for monitoring the internal stress of such a structure under an impact is important for structural health monitoring. In this paper, piezoceramic Smart Aggregates (SAs) are embedded into a quartz Sand-Filled Steel Tube Column (SFSTC) to monitor the internal structural stress during impacts. The piezoceramic smart aggregates are first calibrated by an impact hammer. Tests are conducted to study the feasibility of monitoring the internal stress of a structure. The results reflect that the calibration value of the piezoceramic smart aggregate sensitivity test is in good agreement with the theoretical value, and the output voltage value of the piezoceramic smart aggregate has a good linear relationship with external forces. Impact tests are conducted on the sand-filled steel tube with embedded piezoceramic smart aggregates. By analyzing the output signal of the piezoceramic smart aggregates, the internal stress state of the structure can be obtained. Experimental results demonstrated that, under the action of impact loads, the piezoceramic smart aggregates monitor the compressive stress at different locations in the steel tube, which verifies the feasibility of using piezoceramic smart aggregate to monitor the internal stress of a structure.

An IDS Alerts Aggregation Algorithm Based on Rough Set Theory

NASA Astrophysics Data System (ADS)

Zhang, Ru; Guo, Tao; Liu, Jianyi

2018-03-01

Within a system in which has been deployed several IDS, a great number of alerts can be triggered by a single security event, making real alerts harder to be found. To deal with redundant alerts, we propose a scheme based on rough set theory. In combination with basic concepts in rough set theory, the importance of attributes in alerts was calculated firstly. With the result of attributes importance, we could compute the similarity of two alerts, which will be compared with a pre-defined threshold to determine whether these two alerts can be aggregated or not. Also, time interval should be taken into consideration. Allowed time interval for different types of alerts is computed individually, since different types of alerts may have different time gap between two alerts. In the end of this paper, we apply proposed scheme on DAPRA98 dataset and the results of experiment show that our scheme can efficiently reduce the redundancy of alerts so that administrators of security system could avoid wasting time on useless alerts.

Testing self-regulation interventions to increase walking using factorial randomized N-of-1 trials.

PubMed

Sniehotta, Falko F; Presseau, Justin; Hobbs, Nicola; Araújo-Soares, Vera

2012-11-01

To investigate the suitability of N-of-1 randomized controlled trials (RCTs) as a means of testing the effectiveness of behavior change techniques based on self-regulation theory (goal setting and self-monitoring) for promoting walking in healthy adult volunteers. A series of N-of-1 RCTs in 10 normal and overweight adults ages 19-67 (M = 36.9 years). We randomly allocated 60 days within each individual to text message-prompted daily goal-setting and/or self-monitoring interventions in accordance with a 2 (step-count goal prompt vs. alternative goal prompt) × 2 (self-monitoring: open vs. blinded Omron-HJ-113-E pedometer) factorial design. Aggregated data were analyzed using random intercept multilevel models. Single cases were analyzed individually. The primary outcome was daily pedometer step counts over 60 days. Single-case analyses showed that 4 participants significantly increased walking: 2 on self-monitoring days and 2 on goal-setting days, compared with control days. Six participants did not benefit from the interventions. In aggregated analyses, mean step counts were higher on goal-setting days (8,499.9 vs. 7,956.3) and on self-monitoring days (8,630.3 vs. 7,825.9). Multilevel analyses showed a significant effect of the self-monitoring condition (p = .01), the goal-setting condition approached significance (p = .08), and there was a small linear increase in walking over time (p = .03). N-of-1 randomized trials are a suitable means to test behavioral interventions in individual participants.

Diversity of individual mobility patterns and emergence of aggregated scaling laws

PubMed Central

Yan, Xiao-Yong; Han, Xiao-Pu; Wang, Bing-Hong; Zhou, Tao

2013-01-01

Uncovering human mobility patterns is of fundamental importance to the understanding of epidemic spreading, urban transportation and other socioeconomic dynamics embodying spatiality and human travel. According to the direct travel diaries of volunteers, we show the absence of scaling properties in the displacement distribution at the individual level,while the aggregated displacement distribution follows a power law with an exponential cutoff. Given the constraint on total travelling cost, this aggregated scaling law can be analytically predicted by the mixture nature of human travel under the principle of maximum entropy. A direct corollary of such theory is that the displacement distribution of a single mode of transportation should follow an exponential law, which also gets supportive evidences in known data. We thus conclude that the travelling cost shapes the displacement distribution at the aggregated level. PMID:24045416

Role of field-induced nanostructures, zippering and size polydispersity on effective thermal transport in magnetic fluids without significant viscosity enhancement

NASA Astrophysics Data System (ADS)

Vinod, Sithara; Philip, John

2017-12-01

Magnetic nanofluids or ferrofluids exhibit extraordinary field dependant tunable thermal conductivity (k), which make them potential candidates for microelectronic cooling applications. However, the associated viscosity enhancement under an external stimulus is undesirable for practical applications. Further, the exact mechanism of heat transport and the role of field induced nanostructures on thermal transport is not clearly understood. In this paper, through systematic thermal, rheological and microscopic studies in 'model ferrofluids', we demonstrate for the first time, the conditions to achieve very high thermal conductivity to viscosity ratio. Highly stable ferrofluids with similar crystallite size, base fluid, capping agent and magnetic properties, but with slightly different size distributions, are synthesized and characterized by X-ray diffraction, small angle X-ray scattering, transmission electron microscopy, dynamic light scattering, vibrating sample magnetometer, Fourier transform infrared spectroscopy and thermo-gravimetry. The average hydrodynamic diameters of the particles were 11.7 and 10.1 nm and the polydispersity indices (σ), were 0.226 and 0.151, respectively. We observe that the system with smaller polydispersity (σ = 0.151) gives larger k enhancement (130% for 150 G) as compared to the one with σ = 0.226 (73% for 80 G). Further, our results show that dispersions without larger aggregates and with high density interfacial capping (with surfactant) can provide very high enhancement in thermal conductivity, with insignificant viscosity enhancement, due to minimal interfacial losses. We also provide experimental evidence for the effective heat conduction (parallel mode) through a large number of space filling linear aggregates with high aspect ratio. Microscopic studies reveal that the larger particles act as nucleating sites and facilitate lateral aggregation (zippering) of linear chains that considerably reduces the number density of space filling linear aggregates. Our findings are very useful for optimizing the heat transfer properties of magnetic fluids (and also in composite systems consisting of CNT, graphene etc.) for the development of next generation microelectronic cooling technologies, thermal energy harvesting and magnetic fluid based therapeutics.

INTERDISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: Competition Between Self-birth and Catalyzed Death in Aggregation Growth with Catalysis Injection

NASA Astrophysics Data System (ADS)

Chen, Dan; Lin, Zhen-Quan; Sun, Yun-Fei; Ke, Jian-Hong

2009-12-01

We propose two irreversible aggregation growth models of aggregates of two distinct species (A and B) to study the interactions between virus aggregates and medicine efficacy aggregates in the virus-medicine cooperative evolution system. The A-species aggregates evolve driven by self monomer birth and B-species aggregate-catalyzed monomer death in model I and by self birth, catalyzed death, and self monomer exchange reactions in model II, while the catalyst B-species aggregates are assumed to be injected into the system sustainedly or at a periodic time-dependent rate. The kinetic behaviors of the A-species aggregates are investigated by the rate equation approach based on the mean-field theory with the self birth rate kernel IA(k) = Ik, catalyzed death rate kernel JAB(k) = Jk and self exchange rate kernel KA (k, l) = Kkl. The kinetic behaviors of the A-species aggregates are mainly dominated by the competition between the two effects of the self birth (with the effective rate I) and the catalyzed death (with the effective rate JB0), while the effects of the self exchanges of the A-species aggregates which appear in an effective rate KA0 play important roles in the cases of I > JB0 and I = JB0. The evolution behaviors of the total mass MA1(t) and the total aggregate number MA0 (t) are obtained, and the aggregate size distribution αk (t) of species A is found to approach a generalized scaling form in the case of I >= JB0 and a special modified scaling form in the case of I < JB0. The periodical evolution of the B-monomers concentration plays an exponential form of the periodic modulation.

ML 3.0 smoothed aggregation user's guide.

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

Sala, Marzio; Hu, Jonathan Joseph; Tuminaro, Raymond Stephen

2004-05-01

ML is a multigrid preconditioning package intended to solve linear systems of equations Az = b where A is a user supplied n x n sparse matrix, b is a user supplied vector of length n and x is a vector of length n to be computed. ML should be used on large sparse linear systems arising from partial differential equation (PDE) discretizations. While technically any linear system can be considered, ML should be used on linear systems that correspond to things that work well with multigrid methods (e.g. elliptic PDEs). ML can be used as a stand-alone package ormore » to generate preconditioners for a traditional iterative solver package (e.g. Krylov methods). We have supplied support for working with the AZTEC 2.1 and AZTECOO iterative package [15]. However, other solvers can be used by supplying a few functions. This document describes one specific algebraic multigrid approach: smoothed aggregation. This approach is used within several specialized multigrid methods: one for the eddy current formulation for Maxwell's equations, and a multilevel and domain decomposition method for symmetric and non-symmetric systems of equations (like elliptic equations, or compressible and incompressible fluid dynamics problems). Other methods exist within ML but are not described in this document. Examples are given illustrating the problem definition and exercising multigrid options.« less

ML 3.1 smoothed aggregation user's guide.

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

Sala, Marzio; Hu, Jonathan Joseph; Tuminaro, Raymond Stephen

2004-10-01

ML is a multigrid preconditioning package intended to solve linear systems of equations Ax = b where A is a user supplied n x n sparse matrix, b is a user supplied vector of length n and x is a vector of length n to be computed. ML should be used on large sparse linear systems arising from partial differential equation (PDE) discretizations. While technically any linear system can be considered, ML should be used on linear systems that correspond to things that work well with multigrid methods (e.g. elliptic PDEs). ML can be used as a stand-alone package ormore » to generate preconditioners for a traditional iterative solver package (e.g. Krylov methods). We have supplied support for working with the Aztec 2.1 and AztecOO iterative package [16]. However, other solvers can be used by supplying a few functions. This document describes one specific algebraic multigrid approach: smoothed aggregation. This approach is used within several specialized multigrid methods: one for the eddy current formulation for Maxwell's equations, and a multilevel and domain decomposition method for symmetric and nonsymmetric systems of equations (like elliptic equations, or compressible and incompressible fluid dynamics problems). Other methods exist within ML but are not described in this document. Examples are given illustrating the problem definition and exercising multigrid options.« less

Approximate reduction of linear population models governed by stochastic differential equations: application to multiregional models.

PubMed

Sanz, Luis; Alonso, Juan Antonio

2017-12-01

In this work we develop approximate aggregation techniques in the context of slow-fast linear population models governed by stochastic differential equations and apply the results to the treatment of populations with spatial heterogeneity. Approximate aggregation techniques allow one to transform a complex system involving many coupled variables and in which there are processes with different time scales, by a simpler reduced model with a fewer number of 'global' variables, in such a way that the dynamics of the former can be approximated by that of the latter. In our model we contemplate a linear fast deterministic process together with a linear slow process in which the parameters are affected by additive noise, and give conditions for the solutions corresponding to positive initial conditions to remain positive for all times. By letting the fast process reach equilibrium we build a reduced system with a lesser number of variables, and provide results relating the asymptotic behaviour of the first- and second-order moments of the population vector for the original and the reduced system. The general technique is illustrated by analysing a multiregional stochastic system in which dispersal is deterministic and the rate growth of the populations in each patch is affected by additive noise.

Dielectric aggregation kinetics of cells in a uniform AC electric field.

PubMed

Tada, Shigeru; Natsuya, Tomoyuki; Tsukamoto, Akira

2014-01-01

Cell manipulation and separation technologies have potential biological and medical applications, including advanced clinical protocols such as tissue engineering. An aggregation model was developed for a human carcinoma (HeLa) cell suspension exposed to a uniform AC electric field, in order to explore the field-induced structure formation and kinetics of cell aggregates. The momentum equations of cells under the action of the dipole-dipole interaction were solved theoretically and the total time required to form linear string-like cluster was derived. The results were compared with those of a numerical simulation. Experiments using HeLa cells were also performed for comparison. The total time required to form linear string-like clusters was derived from a simple theoretical model of the cell cluster kinetics. The growth rates of the average string length of cell aggregates showed good agreement with those of the numerical simulation. In the experiment, cells were found to form massive clusters on the bottom of a chamber. The results imply that the string-like cluster grows rapidly by longitudinal attraction when the electric field is first applied and that this process slows at later times and is replaced by lateral coagulation of short strings. The findings presented here are expected to enable design of methods for the organization of three-dimensional (3D) cellular structures without the use of micro-fabricated substrates, such as 3D biopolymer scaffolds, to manipulate cells into spatial arrangement.

Moisture-induced aggregation of lyophilized DNA and its prevention.

PubMed

Sharma, Vikas K; Klibanov, Alexander M

2007-01-01

To investigate the moisture-induced aggregation (i.e., a loss of solubility in water) of DNA in a solid state and to develop rational strategies for its prevention. Lyophilized calf thymus DNA was exposed to relative humidity (RH) levels from 11% to 96% at 55 degrees C. Following a 24-h incubation under these stressed conditions, the solubility of DNA in different aqueous solutions and the water uptake of DNA were determined. The effects of solution pH and NaCl concentration and the presence of excipients (dextran and sucrose) on the subsequent moisture-induced aggregation of DNA were examined. The extent of this aggregation was compared with that of a supercoiled plasmid DNA. Upon a 24-h incubation at 55 degrees C, calf thymus DNA underwent a major moisture-induced aggregation reaching a maximum at a 60% RH; in contrast, the single-stranded DNA exhibited the maximal aggregation at a 96% RH. Moisture uptake and aqueous solubility studies revealed that the aggregation was primarily due to formation of inter-strand hydrogen bonds. Aggregation of DNA also proceeded at 37 degrees C, albeit at a slower rate. Solution pH and NaCl concentration affected DNA aggregation only at higher RH levels. This aggregation was markedly reduced by co-lyophilization with dextran or sucrose (but not with PEG). The aggregation pattern of a supercoiled plasmid DNA was similar to that of its linear calf thymus counterpart. The moisture-induced aggregation of lyophilized DNA is caused mainly by non-covalent cross-links between disordered, single-stranded regions of DNA. At high RH levels, renaturation and aggregation of DNA compete with each other. The aggregation is minimized at low RH levels, at optimal solution pH and salt concentration prior to lyophilization, and by co-lyophilizing with excipients capable of forming multiple hydrogen bonds, e.g., dextran and sucrose.

Polymer depletion-driven cluster aggregation and initial phase separation in charged nanosized colloids

NASA Astrophysics Data System (ADS)

Gögelein, Christoph; Nägele, Gerhard; Buitenhuis, Johan; Tuinier, Remco; Dhont, Jan K. G.

2009-05-01

We study polymer depletion-driven cluster aggregation and initial phase separation in aqueous dispersions of charge-stabilized silica spheres, where the ionic strength and polymer (dextran) concentration are systematically varied, using dynamic light scattering and visual observation. Without polymers and for increasing salt and colloid content, the dispersions become increasingly unstable against irreversible cluster formation. By adding nonadsorbing polymers, a depletion-driven attraction is induced, which lowers the stabilizing Coulomb barrier and enhances the cluster growth rate. The initial growth rate increases with increasing polymer concentration and decreases with increasing polymer molar mass. These observations can be quantitatively understood by an irreversible dimer formation theory based on the classical Derjaguin, Landau, Verwey, and Overbeek pair potential, with the depletion attraction modeled by the Asakura-Oosawa-Vrij potential. At low colloid concentration, we observe an exponential cluster growth rate for all polymer concentrations considered, indicating a reaction-limited aggregation mechanism. At sufficiently high polymer and colloid concentrations, and lower salt content, a gas-liquidlike demixing is observed initially. Later on, the system separates into a gel and fluidlike phase. The experimental time-dependent state diagram is compared to the theoretical equilibrium phase diagram obtained from a generalized free-volume theory and is discussed in terms of an initial reversible phase separation process in combination with irreversible aggregation at later times.

Polymer depletion-driven cluster aggregation and initial phase separation in charged nanosized colloids.

PubMed

Gögelein, Christoph; Nägele, Gerhard; Buitenhuis, Johan; Tuinier, Remco; Dhont, Jan K G

2009-05-28

We study polymer depletion-driven cluster aggregation and initial phase separation in aqueous dispersions of charge-stabilized silica spheres, where the ionic strength and polymer (dextran) concentration are systematically varied, using dynamic light scattering and visual observation. Without polymers and for increasing salt and colloid content, the dispersions become increasingly unstable against irreversible cluster formation. By adding nonadsorbing polymers, a depletion-driven attraction is induced, which lowers the stabilizing Coulomb barrier and enhances the cluster growth rate. The initial growth rate increases with increasing polymer concentration and decreases with increasing polymer molar mass. These observations can be quantitatively understood by an irreversible dimer formation theory based on the classical Derjaguin, Landau, Verwey, and Overbeek pair potential, with the depletion attraction modeled by the Asakura-Oosawa-Vrij potential. At low colloid concentration, we observe an exponential cluster growth rate for all polymer concentrations considered, indicating a reaction-limited aggregation mechanism. At sufficiently high polymer and colloid concentrations, and lower salt content, a gas-liquidlike demixing is observed initially. Later on, the system separates into a gel and fluidlike phase. The experimental time-dependent state diagram is compared to the theoretical equilibrium phase diagram obtained from a generalized free-volume theory and is discussed in terms of an initial reversible phase separation process in combination with irreversible aggregation at later times.

Edible oil structures at low and intermediate concentrations. I. Modeling, computer simulation, and predictions for X ray scattering

NASA Astrophysics Data System (ADS)

Pink, David A.; Quinn, Bonnie; Peyronel, Fernanda; Marangoni, Alejandro G.

2013-12-01

Triacylglycerols (TAGs) are biologically important molecules which form the recently discovered highly anisotropic crystalline nanoplatelets (CNPs) and, ultimately, the large-scale fat crystal networks in edible oils. Identifying the hierarchies of these networks and how they spontaneously self-assemble is important to understanding their functionality and oil binding capacity. We have modelled CNPs and studied how they aggregate under the assumption that all CNPs are present before aggregation begins and that their solubility in the liquid oil is very low. We represented CNPs as rigid planar arrays of spheres with diameter ≈50 nm and defined the interaction between spheres in terms of a Hamaker coefficient, A, and a binding energy, VB. We studied three cases: weak binding, |VB|/kBT ≪ 1, physically realistic binding, VB = Vd(R, Δ), so that |VB|/kBT ≈ 1, and Strong binding with |VB|/kBT ≫ 1. We divided the concentration of CNPs, ϕ, with 0≤ϕ= 10-2 (solid fat content) ≤1, into two regions: Low and intermediate concentrations with 0<ϕ<0.25 and high concentrations with 0.25 < ϕ and considered only the first case. We employed Monte Carlo computer simulation to model CNP aggregation and analyzed them using static structure functions, S(q). We found that strong binding cases formed aggregates with fractal dimension, D, 1.7≤D ≤1.8, in accord with diffusion limited cluster-cluster aggregation (DLCA) and weak binding formed aggregates with D =3, indicating a random distribution of CNPs. We found that models with physically realistic intermediate binding energies formed linear multilayer stacks of CNPs (TAGwoods) with fractal dimension D =1 for ϕ =0.06,0.13, and 0.22. TAGwood lengths were greater at lower ϕ than at higher ϕ, where some of the aggregates appeared as thick CNPs. We increased the spatial scale and modelled the TAGwoods as rigid linear arrays of spheres of diameter ≈500 nm, interacting via the attractive van der Waals interaction. We found that TAGwoods aggregated via DLCA into clusters with fractal dimension D =1.7-1.8. As the simulations were run further, TAGwoods relaxed their positions in order to maximize the attractive interaction making the process look like reaction limited cluster-cluster aggregation with the fractal dimension increasing to D =2.0-2.1. For higher concentrations of CNPs, many TAGwood clusters were formed and, because of their weak interactions, were distributed randomly with D =3.0. We summarize the hierarchy of structures and make predictions for X-ray scattering.

Second harmonic generation from small particle aggregates

NASA Astrophysics Data System (ADS)

Mochan, W. Luis; Ortiz, Guillermo P.; Mendoza, Bernardo S.; Brudny, Vera L.

2001-03-01

Novel nanofabrication techniques are capable of producing nanoparticles with controled structures which include small clusters, self-assembled particles, quantum dots, vesicles, etc. The non-linear optical scattering of these structures are important for applications, and can be used for their physical characterization. The second harmonic (SH) field radiated by a single small spherical particle has surface and bulk, dipolar and quadrupolar contributions of similar intensities and is strongly dependent of the local environment of the particle [1], in contrast to the linear case. In this work we calculate the nonlinear scattering by particle aggregates and we investigate the effects on the SH generation of the disorder induced field fluctuations and of the localization of light. We acknowledge the partial support from DGAPA-UNAM (grant IN110999), Conacyt (31120-E and 26651-E), CIP and UBACyT. [1] Vera L. Brudny, Bernardo S. Mendoza, and W. Luis Mochán, Phys. Rev. B 62, 11152 (2000).

Membrane tension controls the assembly of curvature-generating proteins

PubMed Central

Simunovic, Mijo; Voth, Gregory A.

2015-01-01

Proteins containing a Bin/Amphiphysin/Rvs (BAR) domain regulate membrane curvature in the cell. Recent simulations have revealed that BAR proteins assemble into linear aggregates, strongly affecting membrane curvature and its in-plane stress profile. Here, we explore the opposite question: do mechanical properties of the membrane impact protein association? By using coarse-grained molecular dynamics simulations, we show that increased surface tension significantly impacts the dynamics of protein assembly. While tensionless membranes promote a rapid formation of long-living linear aggregates of N-BAR proteins, increase in tension alters the geometry of protein association. At high tension, protein interactions are strongly inhibited. Increasing surface density of proteins leads to a wider range of protein association geometries, promoting the formation of meshes, which can be broken apart with membrane tension. Our work indicates that surface tension may play a key role in recruiting proteins to membrane-remodelling sites in the cell. PMID:26008710

The role of nonlinear viscoelasticity on the functionality of laminating shortenings

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

Macias-Rodriguez, Braulio A.; Peyronel, Fernanda; Marangoni, Alejandro G.

The rheology of fats is essential for the development of homogeneous and continuous layered structures of doughs. Here, we define laminating shortenings in terms of rheological behavior displayed during linear-to-nonlinear shear deformations, investigated by large amplitude oscillatory shear rheology. Likewise, we associate the rheological behavior of the shortenings with structural length scales elucidated by ultra-small angle x-ray scattering and cryo-electron microscopy. Shortenings exhibited solid-like viscoelastic and viscoelastoplastic behaviors in the linear and nonlinear regimes respectively. In the nonlinear region, laminating shortenings dissipated more viscous energy (larger normalized dynamic viscosities) than a cake bakery shortening. The fat solid-like network of laminatingmore » shortening displayed a three-hierarchy structure and layered crystal aggregates, in comparison to two-hierarchy structure and spherical-like crystal aggregates of a cake shortening. We argue that the observed rheology, correlated to the structural network, is crucial for optimal laminating performance of shortenings.« less

Spectroscopic investigation of inner filter effect by magnolol solutions

NASA Astrophysics Data System (ADS)

Li, Hongmei; YuzhuHu

2007-12-01

Spectroscopy is useful tool for aggregation studies on fluorephores. One of the major problems with this technique is that the inner filter effect becomes unavoidable since the samples are used at high concentration. In this work, our investigation on magnolol spectroscopic properties shows that the inner filter effect (IFE) of fluorescence plays a critical role in the spectra of magnolol. The strong dependence of the fluorescence parameters on the concentration accounts for the apparent experimental evidence of magnolol aggregation at high concentrations. There are some questions despite the aggregation model based on fluorescent aggregates seems to describe the behavior of the system. The mathematical correction on the emission intensities shows the linear fluorescence-concentration relationship. Furthermore, we propose a mathematic model of excitation spectrum based on the primary IFE (absorption of light of excitation wavelength), which provide a correct explanation of the unusual spectral shift and spectral narrowing in the excitation spectra of magnolol at high concentrations. The shapes of spectra are completely independent on magnolol aggregation and are due only to experimental artifacts, i.e. IFE.

A novel weight determination method for time series data aggregation

NASA Astrophysics Data System (ADS)

Xu, Paiheng; Zhang, Rong; Deng, Yong

2017-09-01

Aggregation in time series is of great importance in time series smoothing, predicting and other time series analysis process, which makes it crucial to address the weights in times series correctly and reasonably. In this paper, a novel method to obtain the weights in time series is proposed, in which we adopt induced ordered weighted aggregation (IOWA) operator and visibility graph averaging (VGA) operator and linearly combine the weights separately generated by the two operator. The IOWA operator is introduced to the weight determination of time series, through which the time decay factor is taken into consideration. The VGA operator is able to generate weights with respect to the degree distribution in the visibility graph constructed from the corresponding time series, which reflects the relative importance of vertices in time series. The proposed method is applied to two practical datasets to illustrate its merits. The aggregation of Construction Cost Index (CCI) demonstrates the ability of proposed method to smooth time series, while the aggregation of The Taiwan Stock Exchange Capitalization Weighted Stock Index (TAIEX) illustrate how proposed method maintain the variation tendency of original data.

An Introduction to Multilinear Formula Score Theory. Measurement Series 84-4.

ERIC Educational Resources Information Center

Levine, Michael V.

Formula score theory (FST) associates each multiple choice test with a linear operator and expresses all of the real functions of item response theory as linear combinations of the operator's eigenfunctions. Hard measurement problems can then often be reformulated as easier, standard mathematical problems. For example, the problem of estimating…

Lack of Set Theory Relevant Prerequisite Knowledge

ERIC Educational Resources Information Center

Dogan-Dunlap, Hamide

2006-01-01

Many students struggle with college mathematics topics due to a lack of mastery of prerequisite knowledge. Set theory language is one such prerequisite for linear algebra courses. Many students' mistakes on linear algebra questions reveal a lack of mastery of set theory knowledge. This paper reports the findings of a qualitative analysis of a…

Processing capacity under perceptual and cognitive load: a closer look at load theory.

PubMed

Fitousi, Daniel; Wenger, Michael J

2011-06-01

Variations in perceptual and cognitive demands (load) play a major role in determining the efficiency of selective attention. According to load theory (Lavie, Hirst, Fockert, & Viding, 2004) these factors (a) improve or hamper selectivity by altering the way resources (e.g., processing capacity) are allocated, and (b) tap resources rather than data limitations (Norman & Bobrow, 1975). Here we provide an extensive and rigorous set of tests of these assumptions. Predictions regarding changes in processing capacity are tested using the hazard function of the response time (RT) distribution (Townsend & Ashby, 1978; Wenger & Gibson, 2004). The assumption that load taps resource rather than data limitations is examined using measures of sensitivity and bias drawn from signal detection theory (Swets, 1964). All analyses were performed at two levels: the individual and the aggregate. Hypotheses regarding changes in processing capacity were confirmed at the level of the aggregate. Hypotheses regarding resource and data limitations were not completely supported at either level of analysis. And in all of the analyses, we observed substantial individual differences. In sum, the results suggest a need to expand the theoretical vocabulary of load theory, rather than a need to discard it.

Consensus for linear multi-agent system with intermittent information transmissions using the time-scale theory

NASA Astrophysics Data System (ADS)

Taousser, Fatima; Defoort, Michael; Djemai, Mohamed

2016-01-01

This paper investigates the consensus problem for linear multi-agent system with fixed communication topology in the presence of intermittent communication using the time-scale theory. Since each agent can only obtain relative local information intermittently, the proposed consensus algorithm is based on a discontinuous local interaction rule. The interaction among agents happens at a disjoint set of continuous-time intervals. The closed-loop multi-agent system can be represented using mixed linear continuous-time and linear discrete-time models due to intermittent information transmissions. The time-scale theory provides a powerful tool to combine continuous-time and discrete-time cases and study the consensus protocol under a unified framework. Using this theory, some conditions are derived to achieve exponential consensus under intermittent information transmissions. Simulations are performed to validate the theoretical results.

Effects of ionic strength and temperature on the aggregation and deposition of multi-walled carbon nanotubes.

PubMed

Wang, Lixin; Yang, Xuezhi; Wang, Qi; Zeng, Yuxuan; Ding, Lei; Jiang, Wei

2017-01-01

The aggregation and deposition of carbon nanotubes (CNTs) determines their transport and fate in natural waters. Therefore, the aggregation kinetics of humic-acid treated multi-walled carbon nanotubes (HA-MWCNTs) was investigated by time-resolved dynamic light scattering in NaCl and CaCl 2 electrolyte solutions. Increased ionic strength induced HA-MWCNT aggregation due to the less negative zeta potential and the reduced electrostatic repulsion. The critical coagulation concentration (CCC) values of HA-MWCNTs were 80mmol/L in NaCl and 1.3mmol/L in CaCl 2 electrolyte, showing that Ca 2+ causes more serious aggregation than Na + . The aggregation behavior of HA-MWCNTs was consistent with Derjaguin-Landau-Verwey-Overbeek theory. The deposition kinetics of HA-MWCNTs was measured by the optical absorbance at 800nm. The critical deposition concentrations for HA-MWCNT in NaCl and CaCl 2 solutions were close to the CCC values, therefore the rate of deposition cannot be increased by changing the ionic strength in the diffusion-limited aggregation regime. The deposition process was correlated to the aggregation since larger aggregates increased gravitational deposition and decreased random Brownian diffusion. HA-MWCNTs hydrodynamic diameters were evaluated at 5, 15 and 25°C. Higher temperature caused faster aggregation due to the reduced electrostatic repulsion and increased random Brownian motion and collision frequency. HA-MWCNTs aggregate faster at higher temperature in either NaCl or CaCl 2 electrolyte due to the decreased electrostatic repulsion and increased random Brownian motion. Our results suggest that CNT aggregation and deposition are two correlated processes governed by the electrolyte, and CNT transport is favored at low ionic strength and low temperature. Copyright © 2016. Published by Elsevier B.V.

A study of the limitations of linear theory methods as applied to sonic boom calculations

NASA Technical Reports Server (NTRS)

Darden, Christine M.

1990-01-01

Current sonic boom minimization theories have been reviewed to emphasize the capabilities and flexibilities of the methods. Flexibility is important because it is necessary for the designer to meet optimized area constraints while reducing the impact on vehicle aerodynamic performance. Preliminary comparisons of sonic booms predicted for two Mach 3 concepts illustrate the benefits of shaping. Finally, for very simple bodies of revolution, sonic boom predictions were made using two methods - a modified linear theory method and a nonlinear method - for signature shapes which were both farfield N-waves and midfield waves. Preliminary analysis on these simple bodies verified that current modified linear theory prediction methods become inadequate for predicting midfield signatures for Mach numbers above 3. The importance of impulse is sonic boom disturbance and the importance of three-dimensional effects which could not be simulated with the bodies of revolution will determine the validity of current modified linear theory methods in predicting midfield signatures at lower Mach numbers.

Thermal and Hydrodynamic Environments Mediate Individual and Aggregative Feeding of a Functionally Important Omnivore in Reef Communities

PubMed Central

Frey, Desta L.; Gagnon, Patrick

2015-01-01

In eastern Canada, the destruction of kelp beds by dense aggregations (fronts) of the omnivorous green sea urchin, Strongylocentrotus droebachiensis, is a key determinant of the structure and dynamics of shallow reef communities. Recent studies suggest that hydrodynamic forces, but not sea temperature, determine the strength of urchin-kelp interactions, which deviates from the tenets of the metabolic theory of ecology (MTE). We tested the hypothesis that water temperature can predict short-term kelp bed destruction by S. droebachiensis in calm hydrodynamic environments. Specifically, we experimentally determined relationships among water temperature, body size, and individual feeding in the absence of waves, as well as among wave velocity, season, and aggregative feeding. We quantified variation in kelp-bed boundary dynamics, sea temperature, and wave height over three months at one subtidal site in Newfoundland to test the validity of thermal tipping ranges and regression equations derived from laboratory results. Consistent with the MTE, individual feeding during early summer (June-July) obeyed a non-linear, size- and temperature-dependent relationship: feeding in large urchins was consistently highest and positively correlated with temperature <12°C and dropped within and above the 12–15°C tipping range. This relationship was more apparent in large than small urchins. Observed and expected rates of kelp loss based on sea temperature and urchin density and size structure at the front were highly correlated and differed by one order of magnitude. The present study speaks to the importance of considering body size and natural variation in sea temperature in studies of urchin-kelp interactions. It provides the first compelling evidence that sea temperature, and not only hydrodynamic forces, can predict kelp bed destruction by urchin fronts in shallow reef communities. Studying urchin-seaweed-predator interactions within the conceptual foundations of the MTE holds high potential for improving capacity to predict and manage shifts in marine food web structure and productivity. PMID:25774674

Thermal and hydrodynamic environments mediate individual and aggregative feeding of a functionally important omnivore in reef communities.

PubMed

Frey, Desta L; Gagnon, Patrick

2015-01-01

In eastern Canada, the destruction of kelp beds by dense aggregations (fronts) of the omnivorous green sea urchin, Strongylocentrotus droebachiensis, is a key determinant of the structure and dynamics of shallow reef communities. Recent studies suggest that hydrodynamic forces, but not sea temperature, determine the strength of urchin-kelp interactions, which deviates from the tenets of the metabolic theory of ecology (MTE). We tested the hypothesis that water temperature can predict short-term kelp bed destruction by S. droebachiensis in calm hydrodynamic environments. Specifically, we experimentally determined relationships among water temperature, body size, and individual feeding in the absence of waves, as well as among wave velocity, season, and aggregative feeding. We quantified variation in kelp-bed boundary dynamics, sea temperature, and wave height over three months at one subtidal site in Newfoundland to test the validity of thermal tipping ranges and regression equations derived from laboratory results. Consistent with the MTE, individual feeding during early summer (June-July) obeyed a non-linear, size- and temperature-dependent relationship: feeding in large urchins was consistently highest and positively correlated with temperature <12°C and dropped within and above the 12-15°C tipping range. This relationship was more apparent in large than small urchins. Observed and expected rates of kelp loss based on sea temperature and urchin density and size structure at the front were highly correlated and differed by one order of magnitude. The present study speaks to the importance of considering body size and natural variation in sea temperature in studies of urchin-kelp interactions. It provides the first compelling evidence that sea temperature, and not only hydrodynamic forces, can predict kelp bed destruction by urchin fronts in shallow reef communities. Studying urchin-seaweed-predator interactions within the conceptual foundations of the MTE holds high potential for improving capacity to predict and manage shifts in marine food web structure and productivity.

The thermodynamics of protein aggregation reactions may underpin the enhanced metabolic efficiency associated with heterosis, some balancing selection, and the evolution of ploidy levels.

PubMed

Ginn, B R

2017-07-01

Identifying the physical basis of heterosis (or "hybrid vigor") has remained elusive despite over a hundred years of research on the subject. The three main theories of heterosis are dominance theory, overdominance theory, and epistasis theory. Kacser and Burns (1981) identified the molecular basis of dominance, which has greatly enhanced our understanding of its importance to heterosis. This paper aims to explain how overdominance, and some features of epistasis, can similarly emerge from the molecular dynamics of proteins. Possessing multiple alleles at a gene locus results in the synthesis of different allozymes at reduced concentrations. This in turn reduces the rate at which each allozyme forms soluble oligomers, which are toxic and must be degraded, because allozymes co-aggregate at low efficiencies. The model developed in this paper can explain how heterozygosity impacts the metabolic efficiency of an organism. It can also explain why the viabilities of some inbred lines seem to decline rapidly at high inbreeding coefficients (F > 0.5), which may provide a physical basis for truncation selection for heterozygosity. Finally, the model has implications for the ploidy level of organisms. It can explain why polyploids are frequently found in environments where severe physical stresses promote the formation of soluble oligomers. The model can also explain why complex organisms, which need to synthesize aggregation-prone proteins that contain intrinsically unstructured regions (IURs) and multiple domains because they facilitate complex protein interaction networks (PINs), tend to be diploid while haploidy tends to be restricted to relatively simple organisms. Copyright © 2017 Elsevier Ltd. All rights reserved.

Einstein’s quadrupole formula from the kinetic-conformal Hořava theory

NASA Astrophysics Data System (ADS)

Bellorín, Jorge; Restuccia, Alvaro

We analyze the radiative and nonradiative linearized variables in a gravity theory within the family of the nonprojectable Hořava theories, the Hořava theory at the kinetic-conformal point. There is no extra mode in this formulation, the theory shares the same number of degrees of freedom with general relativity. The large-distance effective action, which is the one we consider, can be given in a generally-covariant form under asymptotically flat boundary conditions, the Einstein-aether theory under the condition of hypersurface orthogonality on the aether vector. In the linearized theory, we find that only the transverse-traceless tensorial modes obey a sourced wave equation, as in general relativity. The rest of variables are nonradiative. The result is gauge-independent at the level of the linearized theory. For the case of a weak source, we find that the leading mode in the far zone is exactly Einstein’s quadrupole formula of general relativity, if some coupling constants are properly identified. There are no monopoles nor dipoles in this formulation, in distinction to the nonprojectable Horava theory outside the kinetic-conformal point. We also discuss some constraints on the theory arising from the observational bounds on Lorentz-violating theories.

The effect of aggregation on visibility in open water

PubMed Central

2016-01-01

Aggregation is a common life-history trait in open-water taxa. Qualitative understanding of how aggregation by prey influences their encounter rates with predators is critical for understanding pelagic predator–prey interactions and trophic webs. We extend a recently developed theory on underwater visibility to predict the consequences of grouping in open-water species in terms of increased visual detection of groups by predators. Our model suggests that enhanced visibility will be relatively modest, with maximum detection distance typically only doubling for a 100-fold increase in the number of prey in a group. This result suggests that although larger groups are more easily detected, this cost to aggregation will in many cases be dominated by benefits, especially through risk dilution in situations where predators cannot consume all members of a discovered group. This, in turn, helps to explain the ubiquity of grouping across a great variety of open-water taxa. PMID:27655767

A new efficient method for calculation of Frenkel exciton parameters in molecular aggregates

NASA Astrophysics Data System (ADS)

Plötz, Per-Arno; Niehaus, Thomas; Kühn, Oliver

2014-05-01

The Frenkel exciton Hamiltonian is at the heart of many simulations of excitation energy transfer in molecular aggregates. It separates the aggregate into Coulomb-coupled monomers. Here it is shown that the respective parameters, i.e., monomeric excitation energies and Coulomb couplings between transition densities can be efficiently calculated using time-dependent tight-binding-based density functional theory (TD-DFTB). Specifically, Coulomb couplings are expressed in terms of self-consistently determined Mulliken transition charges. The approach is applied to two dimer systems. First, formaldehyde oxime for which a detailed comparison with standard DFT using the B3LYP and the PBE functionals as well as with SCS-CC2 is provided. Second, the Coulomb coupling is explored in dependence on the intermolecular coordinates for a perylene bisimide dimer. This provides structural evidence for the previously observed biphasic aggregation behavior of this dye.

Fractals: To Know, to Do, to Simulate.

ERIC Educational Resources Information Center

Talanquer, Vicente; Irazoque, Glinda

1993-01-01

Discusses the development of fractal theory and suggests fractal aggregates as an attractive alternative for introducing fractal concepts. Describes methods for producing metallic fractals and a computer simulation for drawing fractals. (MVL)

The combination of simulation and response methodology and its application in an aggregate production plan

NASA Astrophysics Data System (ADS)

Chen, Zhiming; Feng, Yuncheng

1988-08-01

This paper describes an algorithmic structure for combining simulation and optimization techniques both in theory and practice. Response surface methodology is used to optimize the decision variables in the simulation environment. A simulation-optimization software has been developed and successfully implemented, and its application to an aggregate production planning simulation-optimization model is reported. The model's objective is to minimize the production cost and to generate an optimal production plan and inventory control strategy for an aircraft factory.

A General Model of Production: Theory and Application

DTIC Science & Technology

1984-01-01

It may be verified that X2 , - (o.1) and y2a, -,O and thus dearly the nets {x2,), LA ,,) satisfy the conditions of Proposition (3.4.6) but violate the...and (4-1d) are identical. This example shows thai, two See ,ao La a a oWBO Y=1921. >........................... *’*** . . . 89 /00- aa b (a) Detailed...intensities. 4.3.1. Constructing the Domain of the Aggregate Operating Intensity L_., A represent an aggregate activity. As notation, let EA min El, LA

Scalar-tensor linear inflation

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

Artymowski, Michał; Racioppi, Antonio, E-mail: Michal.Artymowski@uj.edu.pl, E-mail: Antonio.Racioppi@kbfi.ee

2017-04-01

We investigate two approaches to non-minimally coupled gravity theories which present linear inflation as attractor solution: a) the scalar-tensor theory approach, where we look for a scalar-tensor theory that would restore results of linear inflation in the strong coupling limit for a non-minimal coupling to gravity of the form of f (φ) R /2; b) the particle physics approach, where we motivate the form of the Jordan frame potential by loop corrections to the inflaton field. In both cases the Jordan frame potentials are modifications of the induced gravity inflationary scenario, but instead of the Starobinsky attractor they lead tomore » linear inflation in the strong coupling limit.« less

Coherent and incoherent ultrasound backscatter from cell aggregates.

PubMed

de Monchy, Romain; Destrempes, François; Saha, Ratan K; Cloutier, Guy; Franceschini, Emilie

2016-09-01

The effective medium theory (EMT) was recently developed to model the ultrasound backscatter from aggregating red blood cells [Franceschini, Metzger, and Cloutier, IEEE Trans. Ultrason. Ferroelectr. Freq. Control 58, 2668-2679 (2011)]. The EMT assumes that aggregates can be treated as homogeneous effective scatterers, which have effective properties determined by the aggregate compactness and the acoustical characteristics of the cells and the surrounding medium. In this study, the EMT is further developed to decompose the differential backscattering cross section of a single cell aggregate into coherent and incoherent components. The coherent component corresponds to the squared norm of the average scattering amplitude from the effective scatterer, and the incoherent component considers the variance of the scattering amplitude (i.e., the mean squared norm of the fluctuation of the scattering amplitude around its mean) within the effective scatterer. A theoretical expression for the incoherent component based on the structure factor is proposed and compared with another formulation based on the Gaussian direct correlation function. This theoretical improvement is assessed using computer simulations of ultrasound backscatter from aggregating cells. The consideration of the incoherent component based on the structure factor allows us to approximate the simulations satisfactorily for a product of the wavenumber times the aggregate radius kr ag around 2.

Effects of arginine on heat-induced aggregation of concentrated protein solutions.

PubMed

Shah, Dhawal; Shaikh, Abdul Rajjak; Peng, Xinxia; Rajagopalan, Raj

2011-01-01

Arginine is one of the commonly used additives to enhance refolding yield of proteins, to suppress aggregation of proteins, and to increase solubility of proteins, and yet the molecular interactions that contribute to the role of arginine are unclear. Here, we present experiments, using bovine serum albumin (BSA), lysozyme (LYZ), and β-lactoglobulin (BLG) as model proteins, to show that arginine can enhance heat-induced aggregation of concentrated protein solutions, contrary to the conventional belief that arginine is a universal suppressor of aggregation. Results show that the enhancement in aggregation is caused only for BSA and BLG, but not for LYZ, indicating that arginine's preferential interactions with certain residues over others could determine the effect of the additive on aggregation. We use this previously unrecognized behavior of arginine, in combination with density functional theory calculations, to identify the molecular-level interactions of arginine with various residues that determine arginine's role as an enhancer or suppressor of aggregation of proteins. The experimental and computational results suggest that the guanidinium group of arginine promotes aggregation through the hydrogen-bond-based bridging interactions with the acidic residues of a protein, whereas the binding of the guanidinium group to aromatic residues (aggregation-prone) contributes to the stability and solubilization of the proteins. The approach, we describe here, can be used to select suitable additives to stabilize a protein solution at high concentrations based on an analysis of the amino acid content of the protein. Copyright © 2011 American Institute of Chemical Engineers (AIChE).

An outflow boundary condition for aeroacoustic computations

NASA Technical Reports Server (NTRS)

Hayder, M. Ehtesham; Hagstrom, Thomas

1995-01-01

A formulation of boundary condition for flows with small disturbances is presented. The authors test their methodology in an axisymmetric jet flow calculation, using both the Navier-Stokes and Euler equations. Solutions in the far field are assumed to be oscillatory. If the oscillatory disturbances are small, the growth of the solution variables can be predicted by linear theory. Eigenfunctions of the linear theory are used explicitly in the formulation of the boundary conditions. This guarantees correct solutions at the boundary in the limit where the predictions of linear theory are valid.

Unveiling the Aggregation of Lycopene in Vitro and in Vivo: UV-Vis, Resonance Raman, and Raman Imaging Studies.

PubMed

Ishigaki, Mika; Meksiarun, Phiranuphon; Kitahama, Yasutaka; Zhang, Leilei; Hashimoto, Hideki; Genkawa, Takuma; Ozaki, Yukihiro

2017-08-31

The present study investigates the structure of lycopene aggregates both in vitro and in vivo using ultraviolet-visible (UV-vis) and Raman spectroscopies. The electronic absorption bands of the J- and H-aggregates in vitro shift to lower and higher energies, respectively, compared to that of the lycopene monomer. Along with these results, the frequencies of the ν 1 Raman bands were shifted to lower and higher frequencies, respectively. By plotting the frequencies of the ν 1 Raman band against the S 0 → S 2 transition energy, a linear relationship between the data set with different aggregation conformations can be obtained. Therefore, the band positions depending on the different conformations can be explained based on the idea that the effective conjugated C═C chain lengths within lycopene molecules are different due to the environmental effect (site-shift effect) caused by the aggregation conformation. Applying this knowledge to the in vivo measurement of a tomato fruit sample, the relationship between the aggregation conformation of lycopene and the spectral patterns observed in the UV-vis as well as Raman spectra in different parts of tomato fruits was discussed in detail. The results showed that the concentration of lycopene (particularly that of the J-aggregate) specifically increased, whereas that of chlorophyll decreased, with ripening. Furthermore, Raman imaging indicated that lycopene with different aggregate conformations was distributed inhomogeneously, even within one sample. The layer formation in tomato tissues with high concentrations of J- and H-aggregates was successfully visualized. In this manner, the presence of lycopene distributions with different aggregate conformations was unveiled in vivo.

Heat aggregation studies of phycobilisomes, ferritin, insulin, and immunoglobulin by dynamic light scattering.

PubMed

Singh, B P; Bohidar, H B; Chopra, S

1991-10-15

Dynamic laser light scattering studies on the heat aggregation behavior of phycobilisomes (PBS), ferritin, insulin, and immunoglobulin (IgG) in dilute aqueous solutions has been reported. Except for PBS, results are reported for heat aggregation trends in these proteins for three different pH environments (4.0, 7.5, 9.1). For PBS, studies were performed only in the neutral buffer medium (pH 7.5). The experiments were performed in the very dilute concentration regime (between 0.23 and 1.8 gL-1). For all these samples heat aggregation and dissociation trends were found to be linear with temperature. Upon temperature reversal (self-cooling), hysteresis-like behavior observed in insulin was found to be predominantly large at pH 7.5. PBS, ferritin, and IgG showed no such behavior at any of three pH values, and retraced their path of aggregation while dissociating on temperature reversal. Heat aggregation and dissociation processes in ferritin were found to be independent of pH. The IgG samples showed smooth aggregation tendency only up to 35 degrees C in the buffer media pH 4.0 and 9.1, whereas for pH 7.0 the same could be observed until 60 degrees C. Low polydispersity in the correlation spectra was observed in case of all these samples.

Aggregation of nitroaniline in tetrahydrofuran through intriguing H-bond formation by sodium borohydride.

PubMed

Ganguly, Mainak; Mondal, Chanchal; Pal, Anjali; Pratik, Saied Md; Pal, Jaya; Pal, Tarasankar

2014-07-07

The participation of sodium borohydride (NaBH4) in hydrogen bonding interactions and transient anion radical formation has been proved. Thus, the properties of NaBH4 are extended beyond the purview of its normal reducing capability and nucleophilic property. It is reported that ortho- and para-nitroanilines (NAs) form stable aggregates only in tetrahydrofuran (THF) in the presence of NaBH4 and unprecedented orange/red colorations are observed. The same recipe with nitrobenzene instead of nitroanilines (NAs) in the presence of NaBH4 evolves a transient rose red solution due to the formation of a highly fluorescent anion radical. Spectroscopic studies (UV-vis, fluorescence, RLS, Raman, NMR etc.) as well as theoretical calculations supplement the J-aggregate formation of NAs due to extensive hydrogen bonding. This is the first report where BH4(-) in THF has been shown to support such an aggregation process through H-bonding. It is further confirmed that stable intermolecular hydrogen bond-induced aggregation requires a geometrical match in both the nitro- and amino-functionalities attached to the phenyl ring with proper geometry. On the contrary, meta-nitroaniline remains as the odd man out and does not take part in such aggregation. Surprisingly, Au nanoparticles dismantle the J-aggregates of NA in THF. Explicit hydrogen bond formation in NA has been confirmed experimentally considering its promising applications in different fields including non-linear optics.

ORACLS: A system for linear-quadratic-Gaussian control law design

NASA Technical Reports Server (NTRS)

Armstrong, E. S.

1978-01-01

A modern control theory design package (ORACLS) for constructing controllers and optimal filters for systems modeled by linear time-invariant differential or difference equations is described. Numerical linear-algebra procedures are used to implement the linear-quadratic-Gaussian (LQG) methodology of modern control theory. Algorithms are included for computing eigensystems of real matrices, the relative stability of a matrix, factored forms for nonnegative definite matrices, the solutions and least squares approximations to the solutions of certain linear matrix algebraic equations, the controllability properties of a linear time-invariant system, and the steady state covariance matrix of an open-loop stable system forced by white noise. Subroutines are provided for solving both the continuous and discrete optimal linear regulator problems with noise free measurements and the sampled-data optimal linear regulator problem. For measurement noise, duality theory and the optimal regulator algorithms are used to solve the continuous and discrete Kalman-Bucy filter problems. Subroutines are also included which give control laws causing the output of a system to track the output of a prescribed model.

Glutathione-Capped Gold Nanoparticles-Based Photoacoustic Sensor for Label-Free Detection of Lead Ions

NASA Astrophysics Data System (ADS)

Shi, R.; Liu, X.-J.; Ying, Y.

2017-07-01

The photoacoustic signal generated by laser-induced nanobubbles (PA-LINB) proved to be a sensitive tool to monitor the aggregation of gold nanoparticles. Here, a simple and label-free photoacoustic method for the rapid detection of Pb2+ in the aqueous phase was developed. Due to the high affinity of Pb2+ ions to glutathione, the presence of Pb2+ led to the aggregation of glutathione-conjugated gold nanoparticles (GSH-GNPs). Hence, by measuring the variation of the PA-LINB signal after the aggregation of GSH-GNPs, Pb2+ can be quantified. A low detection limit for Pb2+ (42 nM) and a wide linear working range ( 42-1000 nM) were achieved. Furthermore, the proposed method showed good selectivity against other metal ions.

Universal timescales in the rheology of spheroid cell aggregates

NASA Astrophysics Data System (ADS)

Yu, Miao; Mahtabfar, Aria; Beleen, Paul; Foty, Ramsey; Zahn, Jeffrey; Shreiber, David; Liu, Liping; Lin, Hao

2017-11-01

The rheological properties of tissue play important roles in key biological processes including embryogenesis, cancer metastasis, and wound healing. Spheroid cell aggregate is a particularly interesting model system for the study of these phenomena. In the long time, they behave like drops with a surface tension. In the short, viscoelasticity also needs to be considered. In this work, we discover two coupled and universal timescales for spheroid aggregates. A total of 12 aggregate types (total aggregate number n =290) derived from L and GBM (glioblastoma multiforme) cells are studied with microtensiometer to obtain their surface tension. They are also allowed to relax upon release of the compression forces. The two timescales are observed during the relaxation process; their values do not depend on compression time nor the degree of deformation, and are consistent among all 12 types. Following prior work (Yu et al., Phys. Rev. Lett., 115:128303; Liu et al., J. Mech. Phys. Solids, 98:309-329) we use a rigorous mathematical theory to interpret the results, which reveals intriguing properties of the aggregates on both tissue and cellular levels. The mechanics of multicellular organization reflects both complexity and regularity due to strong active regulation.

Early stage aggregation of a coarse-grained model of polyglutamine

NASA Astrophysics Data System (ADS)

Haaga, Jason; Gunton, J. D.; Buckles, C. Nadia; Rickman, J. M.

2018-01-01

In this paper, we study the early stages of aggregation of a model of polyglutamine (polyQ) for different repeat lengths (number of glutamine amino acid groups in the chain). In particular, we use the Large-scale Atomic/Molecular Massively Parallel Simulator to study a generic coarse-grained model proposed by Bereau and Deserno. We focus on the primary nucleation mechanism involved and find that our results for the initial self-assembly process are consistent with the two-dimensional classical nucleation theory of Kashchiev and Auer. More specifically, we find that with decreasing supersaturation, the oligomer fibril (protofibril) transforms from a one-dimensional β sheet to two-, three-, and higher layer β sheets as the critical nucleus size increases. We also show that the results are consistent with several predictions of their theory, including the dependence of the critical nucleus size on the supersaturation. Our results for the time dependence of the mass aggregation are in reasonable agreement with an approximate analytical solution of the filament theory by Knowles and collaborators that corresponds to an additional secondary nucleation arising from filament fragmentation. Finally, we study the dependence of the critical nucleus size on the repeat length of polyQ. We find that for the larger length polyglutamine chain that we study, the critical nucleus is a monomer, in agreement with experiment and in contrast to the case for the smaller chain, for which the smallest critical nucleus size is four.

Plasmonics-Based Detection of Virus Using Sialic Acid Functionalized Gold Nanoparticles.

PubMed

Lee, Changwon; Wang, Peng; Gaston, Marsha A; Weiss, Alison A; Zhang, Peng

2017-01-01

Biosensor for the detection of virus was developed by utilizing plasmonic peak shift phenomenon of the gold nanoparticles and viral infection mechanism of hemagglutinin on virus and sialic acid on animal cells. The plasmonic peak of the colloidal gold nanoparticles changes with the aggregation of the particles due to the plasmonic interaction between nearby particles and the color of the colloidal nanoparticle solution changes from wine red to purple. Sialic acid reduced and stabilized colloidal gold nanoparticle aggregation is induced by the addition of viral particles in the solution due to the hemagglutinin-sialic acid interaction. In this work, sialic acid reduced and stabilized gold nanoparticles (d = 20.1 ± 1.8 nm) were synthesized by a simple one-pot, green method without chemically modifying sialic acid. The gold nanoparticles showed target-specific aggregation with viral particles via hemagglutinin-sialic acid binding. A linear correlation was observed between the change in optical density and dilution of chemically inactivated influenza B virus species. The detection limit of the virus dilution (hemagglutinination assay titer, 512) was shown to be 0.156 vol% and the upper limit of the linearity can be extended with the use of more sialic acid-gold nanoparticles.

Dynamics and mechanisms of asbestos-fiber aggregate growth in water

NASA Astrophysics Data System (ADS)

Wu, L.; Ortiz, C. P.; Jerolmack, D. J.

2015-12-01

Most colloidal particles including asbestos fibers form aggregates in water, when solution chemistry provides favorable conditions. To date, the growth of colloidal aggregates has been observed in many model systems under optical and scanning electron microscopy; however, all of these studies have used near-spherical particles. The highly elongated nature of asbestos fibers may cause anomalous aggregate growth and morphology, but this has never been examined. Although the exposure pathway of concern for asbestos is through the air, asbestos particles typically reside in soil that is at least partially saturated, and aggregates formed in the aqueous phase may influence the mobility of particles in the environment. Here we study solution-phase aggregation kinetics of asbestos fibers using a liquid-cell by in situ microscopy, over micron to centimeter length scales and from a tenth of a second to hours. We employ an elliptical particle tracking technique to determine particle trajectories and to quantify diffusivity. Experiments reveal that diffusing fibers join by cross linking, but that such linking is sometimes reversible. The resulting aggregates are very sparse and non-compact, with a fractal dimension that is lower than any previously reported value. Their morphology, growth rate and particle size distribution exhibit non-classical behavior that deviates significantly from observations of aggregates composed of near-spherical particles. We also perform experiments using synthetic colloidal particles, and compare these to asbestos in order to separate the controls of particle shape vs. material properties. This direct method for quantitatively observing aggregate growth is a first step toward predicting asbestos fiber aggregate size distributions in the environment. Moreover, many emerging environmental contaminants - such as carbon nanotubes - are elongated colloids, and our work suggests that theories for aggregate growth may need to be modified in order to model these particles.

Principles for problem aggregation and assignment in medium scale multiprocessors

NASA Technical Reports Server (NTRS)

Nicol, David M.; Saltz, Joel H.

1987-01-01

One of the most important issues in parallel processing is the mapping of workload to processors. This paper considers a large class of problems having a high degree of potential fine grained parallelism, and execution requirements that are either not predictable, or are too costly to predict. The main issues in mapping such a problem onto medium scale multiprocessors are those of aggregation and assignment. We study a method of parameterized aggregation that makes few assumptions about the workload. The mapping of aggregate units of work onto processors is uniform, and exploits locality of workload intensity to balance the unknown workload. In general, a finer aggregate granularity leads to a better balance at the price of increased communication/synchronization costs; the aggregation parameters can be adjusted to find a reasonable granularity. The effectiveness of this scheme is demonstrated on three model problems: an adaptive one-dimensional fluid dynamics problem with message passing, a sparse triangular linear system solver on both a shared memory and a message-passing machine, and a two-dimensional time-driven battlefield simulation employing message passing. Using the model problems, the tradeoffs are studied between balanced workload and the communication/synchronization costs. Finally, an analytical model is used to explain why the method balances workload and minimizes the variance in system behavior.

Heavy metal removal capacity of individual components of permeable reactive concrete

NASA Astrophysics Data System (ADS)

Holmes, Ryan R.; Hart, Megan L.; Kevern, John T.

2017-01-01

Permeable reactive barriers (PRBs) are a well-known technique for groundwater remediation using industrialized reactive media such as zero-valent iron and activated carbon. Permeable reactive concrete (PRC) is an alternative reactive medium composed of relatively inexpensive materials such as cement and aggregate. A variety of multimodal, simultaneous processes drive remediation of metals from contaminated groundwater within PRC systems due to the complex heterogeneous matrix formed during cement hydration. This research investigated the influence coarse aggregate, portland cement, fly ash, and various combinations had on the removal of lead, cadmium, and zinc in solution. Absorption, adsorption, precipitation, co-precipitation, and internal diffusion of the metals are common mechanisms of removal in the hydrated cement matrix and independent of the aggregate. Local aggregates can be used as the permeable structure also possessing high metal removal capabilities, however calcareous sources of aggregate are preferred due to improved removal with low leachability. Individual adsorption isotherms were linear or curvilinear up, indicating a preferred removal process. For PRC samples, metal saturation was not reached over the range of concentrations tested. Results were then used to compare removal against activated carbon and aggregate-based PRBs by estimating material costs for the remediation of an example heavy metal contaminated Superfund site located in the Midwestern United States, Joplin, Missouri.

Aggregate-based sub-CMC Solubilization of n-Alkanes by Monorhamnolipid Biosurfactant.

PubMed

Zhong, Hua; Yang, Xin; Tan, Fei; Brusseau, Mark L; Yang, Lei; Liu, Zhifeng; Zeng, Guangming; Yuan, Xingzhong

2016-03-01

Solubilization of n -decane, dodecane, tetradecane and hexadecane by monorhamnolipid biosurfactant (monoRL) at concentrations near the critical micelle concentration (CMC) was investigated. The apparent solubility of all the four alkanes increases linearly with increasing monoRL concentration either below or above CMC. The capacity of solubilization presented by the molar solubilization ratio (MSR), however, is stronger at monoRL concentrations below CMC than above CMC. The MSR decreases following the order dodecane > decane > tetradecane > hexadecane at monoRL concentration below CMC. Formation of aggregates at sub-CMC monoRL concentrations was demonstrated by dynamic light scattering (DLS) and cryo-transmission electron microscopy examination. DLS-based size ( d ) and zeta potential of the aggregates decrease with increasing monoRL concentration. The surface excess ( Γ ) of monoRL calculated based on alkane solubility and aggregate size data increases rapidly with increasing bulk monoRL concentration, and then asymptotically approaches the maximum surface excess ( Γ max ). Relation between Γ and d indicates that the excess of monoRL molecules at the aggregate surface greatly impacts the surface curvature. The results demonstrate formation of aggregates for alkane solubilization at monoRL concentrations below CMC, indicating the potential of employing low-concentration rhamnolipid for enhanced solubilization of hydrophobic organic compounds.

gsSKAT: Rapid gene set analysis and multiple testing correction for rare-variant association studies using weighted linear kernels.

PubMed

Larson, Nicholas B; McDonnell, Shannon; Cannon Albright, Lisa; Teerlink, Craig; Stanford, Janet; Ostrander, Elaine A; Isaacs, William B; Xu, Jianfeng; Cooney, Kathleen A; Lange, Ethan; Schleutker, Johanna; Carpten, John D; Powell, Isaac; Bailey-Wilson, Joan E; Cussenot, Olivier; Cancel-Tassin, Geraldine; Giles, Graham G; MacInnis, Robert J; Maier, Christiane; Whittemore, Alice S; Hsieh, Chih-Lin; Wiklund, Fredrik; Catalona, William J; Foulkes, William; Mandal, Diptasri; Eeles, Rosalind; Kote-Jarai, Zsofia; Ackerman, Michael J; Olson, Timothy M; Klein, Christopher J; Thibodeau, Stephen N; Schaid, Daniel J

2017-05-01

Next-generation sequencing technologies have afforded unprecedented characterization of low-frequency and rare genetic variation. Due to low power for single-variant testing, aggregative methods are commonly used to combine observed rare variation within a single gene. Causal variation may also aggregate across multiple genes within relevant biomolecular pathways. Kernel-machine regression and adaptive testing methods for aggregative rare-variant association testing have been demonstrated to be powerful approaches for pathway-level analysis, although these methods tend to be computationally intensive at high-variant dimensionality and require access to complete data. An additional analytical issue in scans of large pathway definition sets is multiple testing correction. Gene set definitions may exhibit substantial genic overlap, and the impact of the resultant correlation in test statistics on Type I error rate control for large agnostic gene set scans has not been fully explored. Herein, we first outline a statistical strategy for aggregative rare-variant analysis using component gene-level linear kernel score test summary statistics as well as derive simple estimators of the effective number of tests for family-wise error rate control. We then conduct extensive simulation studies to characterize the behavior of our approach relative to direct application of kernel and adaptive methods under a variety of conditions. We also apply our method to two case-control studies, respectively, evaluating rare variation in hereditary prostate cancer and schizophrenia. Finally, we provide open-source R code for public use to facilitate easy application of our methods to existing rare-variant analysis results. © 2017 WILEY PERIODICALS, INC.

A general theory of linear cosmological perturbations: bimetric theories

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

Lagos, Macarena; Ferreira, Pedro G., E-mail: m.lagos13@imperial.ac.uk, E-mail: p.ferreira1@physics.ox.ac.uk

2017-01-01

We implement the method developed in [1] to construct the most general parametrised action for linear cosmological perturbations of bimetric theories of gravity. Specifically, we consider perturbations around a homogeneous and isotropic background, and identify the complete form of the action invariant under diffeomorphism transformations, as well as the number of free parameters characterising this cosmological class of theories. We discuss, in detail, the case without derivative interactions, and compare our results with those found in massive bigravity.

Graph-based linear scaling electronic structure theory.

PubMed

Niklasson, Anders M N; Mniszewski, Susan M; Negre, Christian F A; Cawkwell, Marc J; Swart, Pieter J; Mohd-Yusof, Jamal; Germann, Timothy C; Wall, Michael E; Bock, Nicolas; Rubensson, Emanuel H; Djidjev, Hristo

2016-06-21

We show how graph theory can be combined with quantum theory to calculate the electronic structure of large complex systems. The graph formalism is general and applicable to a broad range of electronic structure methods and materials, including challenging systems such as biomolecules. The methodology combines well-controlled accuracy, low computational cost, and natural low-communication parallelism. This combination addresses substantial shortcomings of linear scaling electronic structure theory, in particular with respect to quantum-based molecular dynamics simulations.

Graph-based linear scaling electronic structure theory

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

Niklasson, Anders M. N., E-mail: amn@lanl.gov; Negre, Christian F. A.; Cawkwell, Marc J.

2016-06-21

We show how graph theory can be combined with quantum theory to calculate the electronic structure of large complex systems. The graph formalism is general and applicable to a broad range of electronic structure methods and materials, including challenging systems such as biomolecules. The methodology combines well-controlled accuracy, low computational cost, and natural low-communication parallelism. This combination addresses substantial shortcomings of linear scaling electronic structure theory, in particular with respect to quantum-based molecular dynamics simulations.

Medical care price indexes: theory, construction & empirical analysis of the US series 1927-1990.

PubMed

Getzen, T E

1992-01-01

The historical development of price indexes as wage adjustment mechanisms is reviewed, as is the theory of aggregation and methods for dealing with quality and technological change. The construction of the U.S. Bureau of Labor Statistics (BLS) Medical Care Price Index (MCPI) is detailed. ARIMA analysis of the MCPI for the period 1927-1990 indicates that; (i) the MCPI is largely a damped and delayed function of the CPI, with an average lag of 8 months; (ii) medical care prices rose 2-4 percent faster than the all-items CPI since 1950, but not for 1927-1950; (iii) health expenditures are affected primarily by the general CPI, with little independent effect of specifically medical prices. The MCPI is a reliable measure of changes in consumer prices with strong construct validity. However, it was not designed for use as a deflator of medical expenditures, and is misleading when erroneously employed in that unintended role. The price/quantity duality and linear expenditure function which form the basis of Laspeyres price indexes are not applicable to nonconcatenable goods such as insurance or medical care. In these complex transactions, quality dominates quantity, fixed prices are replaced by reimbursement and professional judgement, and the assumption of additive separability required to use the price index as a deflator of health expenditures is not valid.

Colombeau algebra as a mathematical tool for investigating step load and step deformation of systems of nonlinear springs and dashpots

NASA Astrophysics Data System (ADS)

Průša, Vít; Řehoř, Martin; Tůma, Karel

2017-02-01

The response of mechanical systems composed of springs and dashpots to a step input is of eminent interest in the applications. If the system is formed by linear elements, then its response is governed by a system of linear ordinary differential equations. In the linear case, the mathematical method of choice for the analysis of the response is the classical theory of distributions. However, if the system contains nonlinear elements, then the classical theory of distributions is of no use, since it is strictly limited to the linear setting. Consequently, a question arises whether it is even possible or reasonable to study the response of nonlinear systems to step inputs. The answer is positive. A mathematical theory that can handle the challenge is the so-called Colombeau algebra. Building on the abstract result by Průša and Rajagopal (Int J Non-Linear Mech 81:207-221, 2016), we show how to use the theory in the analysis of response of nonlinear spring-dashpot and spring-dashpot-mass systems.

Trends in modern system theory

NASA Technical Reports Server (NTRS)

Athans, M.

1976-01-01

The topics considered are related to linear control system design, adaptive control, failure detection, control under failure, system reliability, and large-scale systems and decentralized control. It is pointed out that the design of a linear feedback control system which regulates a process about a desirable set point or steady-state condition in the presence of disturbances is a very important problem. The linearized dynamics of the process are used for design purposes. The typical linear-quadratic design involving the solution of the optimal control problem of a linear time-invariant system with respect to a quadratic performance criterion is considered along with gain reduction theorems and the multivariable phase margin theorem. The stumbling block in many adaptive design methodologies is associated with the amount of real time computation which is necessary. Attention is also given to the desperate need to develop good theories for large-scale systems, the beginning of a microprocessor revolution, the translation of the Wiener-Hopf theory into the time domain, and advances made in dynamic team theory, dynamic stochastic games, and finite memory stochastic control.

Research on Disaster Early Warning and Disaster Relief Integrated Service System Based on Block Data Theory

NASA Astrophysics Data System (ADS)

Yang, J.; Zhang, H.; Wang, C.; Tang, D.

2018-04-01

With the continuous development of social economy, the interaction between mankind and nature has become increasingly evident. Disastrous global catastrophes have occurred from time to time, causing huge losses to people's lives and property. All governments recognize the importance of the establishment of disaster early warning and release mechanisms, and it is also an urgent issue to improve the comprehensive service level of emergency response and disaster relief. However, disaster early warning and emergency relief information is usually generated by different departments, and the diverse data sources, difficult integration, and limited release speed have always been difficult issues to be solved. Block data is the aggregation of various distributed (point data) and segmentation (data) big data on a specific platform and make them happen continuous polymerization effect, block data theory is a good solution to cross-sectoral, cross-platform Disaster information data sharing and integration problems. This paper attempts to discuss the integrated service mechanism of disaster information aggregation and disaster relief based on block data theory and introduces a location-based integrated service system for disaster early warning and disaster relief.

An economic approach to environmental indices

EPA Science Inventory

This study uses the directional output distance function from economic productivity theory as an alternative approach to environmental index construction. We use the directional output distance function to aggregate multiple environmental objectives into one measure of environme...

On the radiative properties of soot aggregates - Part 2: Effects of coating

NASA Astrophysics Data System (ADS)

Liu, Fengshan; Yon, Jérôme; Bescond, Alexandre

2016-03-01

The effects of weakly absorbing material coating on soot have attracted considerable research attention in recent years due to the significant influence of such coating on soot radiative properties and the large differences predicted by different numerical models. Soot aggregates were first numerically generated using the diffusion limited cluster aggregation algorithm to produce fractal aggregates formed by log-normally distributed polydisperse spherical primary particles in point-touch. These aggregates were then processed by adding a certain amount of primary particle overlapping and necking to simulate the soot morphology observed from transmission electron microscopy images. After this process, a layer of WAM coating of different thicknesses was added to these more realistic soot aggregates. The radiative properties of these coated soot aggregates over the spectral range of 266-1064 nm were calculated by the discrete dipole approximation (DDA) using the spectrally dependent refractive index of soot for four aggregates containing Np=1, 20, 51 and 96 primary particles. The considered coating thicknesses range from 0% (no coating) up to 100% coating in terms of the primary particle diameter. Coating enhances both the particle absorption and scattering cross sections, with much stronger enhancement to the scattering one, as well as the asymmetry factor and the single scattering albedo. The absorption enhancement is stronger in the UV than in the visible and the near infrared. The simple corrections to the Rayleigh-Debye-Gans fractal aggregates theory for uncoated soot aggregates are found not working for coated soot aggregates. The core-shell model significantly overestimates the absorption enhancement by coating in the visible and the near infrared compared to the DDA results of the coated soot particle. Treating an externally coated soot aggregate as an aggregate formed by individually coated primary particles significantly underestimates the absorption enhancement by coating in the visible and the near infrared.

Linear ordinary differential equations with constant coefficients. Revisiting the impulsive response method using factorization

NASA Astrophysics Data System (ADS)

Camporesi, Roberto

2011-06-01

We present an approach to the impulsive response method for solving linear constant-coefficient ordinary differential equations based on the factorization of the differential operator. The approach is elementary, we only assume a basic knowledge of calculus and linear algebra. In particular, we avoid the use of distribution theory, as well as of the other more advanced approaches: Laplace transform, linear systems, the general theory of linear equations with variable coefficients and the variation of constants method. The approach presented here can be used in a first course on differential equations for science and engineering majors.

Linear system theory

NASA Technical Reports Server (NTRS)

Callier, Frank M.; Desoer, Charles A.

1991-01-01

The aim of this book is to provide a systematic and rigorous access to the main topics of linear state-space system theory in both the continuous-time case and the discrete-time case; and the I/O description of linear systems. The main thrusts of the work are the analysis of system descriptions and derivations of their properties, LQ-optimal control, state feedback and state estimation, and MIMO unity-feedback systems.

Hydrodynamic effects and receptor interactions of platelets and their aggregates in linear shear flow.

PubMed Central

Tandon, P; Diamond, S L

1997-01-01

We have modeled platelet aggregation in a linear shear flow by accounting for two body collision hydrodynamics, platelet activation and receptor biology. Considering platelets and their aggregates as unequal-sized spheres with DLVO interactions (psi(platelet) = -15 mV, Hamaker constant = 10(-19) J), detailed hydrodynamics provided the flow field around the colliding platelets. Trajectory calculations were performed to obtain the far upstream cross-sectional area and the particle flux through this area provided the collision frequency. Only a fraction of platelets brought together by a shearing fluid flow were held together if successfully bound by fibrinogen cross-bridging GPIIb/IIIa receptors on the platelet surfaces. This fraction was calculated by modeling receptor-mediated aggregation using the formalism of Bell (Bell, G. I. 1979. A theoretical model for adhesion between cells mediated by multivalent ligands. Cell Biophys. 1:133-147) where the forward rate of bond formation dictated aggregation during collision and was estimated from the diffusional limited rate of lateral association of receptors multiplied by an effectiveness factor, eta, to give an apparent rate. For a value of eta = 0.0178, we calculated the overall efficiency (including both receptor binding and hydrodynamics effects) for equal-sized platelets with 50,000 receptors/platelet to be 0.206 for G = 41.9 s(-1), 0.05 for G = 335 s(-1), and 0.0086 for G = 1920 s(-1), values which are in agreement with efficiencies determined from initial platelet singlet consumption rates in flow through a tube. From our analysis, we predict that bond formation proceeds at a rate of approximately 0.1925 bonds/microm2 per ms, which is approximately 50-fold slower than the diffusion limited rate of association. This value of eta is also consistent with a colloidal stability of unactivated platelets at low shear rates. Fibrinogen was calculated to mediate aggregation quite efficiently at low shear rates but not at high shear rates. Although secondary collisions (an orbitlike trajectory) form only a small fraction of the total number of collisions, they become important at high shear rates (>750 s(-1)), as these are the only collisions that provide enough time to result in successful aggregate formation mediated by fibrinogen. The overall method provides a hydrodynamic and receptor correction of the Smoluchowski collision kernel and gives a first estimate of eta for the fibrinogen-GPIIb/IIIa cross-bridging of platelets. We also predict that secondary collisions extend the shear rate range at which fibrinogen can mediate successful aggregation. Images FIGURE 2 PMID:9370476

A generalized Lyapunov theory for robust root clustering of linear state space models with real parameter uncertainty

NASA Technical Reports Server (NTRS)

Yedavalli, R. K.

1992-01-01

The problem of analyzing and designing controllers for linear systems subject to real parameter uncertainty is considered. An elegant, unified theory for robust eigenvalue placement is presented for a class of D-regions defined by algebraic inequalities by extending the nominal matrix root clustering theory of Gutman and Jury (1981) to linear uncertain time systems. The author presents explicit conditions for matrix root clustering for different D-regions and establishes the relationship between the eigenvalue migration range and the parameter range. The bounds are all obtained by one-shot computation in the matrix domain and do not need any frequency sweeping or parameter gridding. The method uses the generalized Lyapunov theory for getting the bounds.

Gravitons as Embroidery on the Weave

NASA Astrophysics Data System (ADS)

Iwasaki, Junichi; Rovelli, Carlo

We investigate the physical interpretation of the loop states that appear in the loop representation of quantum gravity. By utilizing the “weave” state, which has been recently introduced as a quantum description of the microstructure of flat space, we analyze the relation between loop states and graviton states. This relation determines a linear map M from the state-space of the nonperturbative theory (loop space) into the state-space of the linearized theory (Fock space). We present an explicit form of this map, and a preliminary investigation of its properties. The existence of such a map indicates that the full nonperturbative quantum theory includes a sector that describes the same physics as (the low energy regimes of) the linearized theory, namely gravitons on flat space.

Linear instability of plane Couette and Poiseuille flows

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

Chefranov, S. G., E-mail: schefranov@mail.ru; Chefranov, A. G., E-mail: Alexander.chefranov@emu.edu.tr

2016-05-15

It is shown that linear instability of plane Couette flow can take place even at finite Reynolds numbers Re > Re{sub th} ≈ 139, which agrees with the experimental value of Re{sub th} ≈ 150 ± 5 [16, 17]. This new result of the linear theory of hydrodynamic stability is obtained by abandoning traditional assumption of the longitudinal periodicity of disturbances in the flow direction. It is established that previous notions about linear stability of this flow at arbitrarily large Reynolds numbers relied directly upon the assumed separation of spatial variables of the field of disturbances and their longitudinal periodicitymore » in the linear theory. By also abandoning these assumptions for plane Poiseuille flow, a new threshold Reynolds number Re{sub th} ≈ 1035 is obtained, which agrees to within 4% with experiment—in contrast to 500% discrepancy for the previous estimate of Re{sub th} ≈ 5772 obtained in the framework of the linear theory under assumption of the “normal” shape of disturbances [2].« less

Variational Theory of Motion of Curved, Twisted and Extensible Elastic Rods

DTIC Science & Technology

1993-01-18

nonlinear theory such as questions of existence of solutions and global behavior have been carried out by Antman (1976). His basic work entitled "The...Aerosp. Ens. Q017/018 16 REFERENCES Antman , S.S., "Ordinary Differential Equations of Non-Linear ElastIcity 1: Foundatious of the Theories of Non-Linearly...Elutic rods and Shells," A.R.M.A. 61 (1976), 307-351. Antman , S.S., "The Theory of Rods", Handbuch der Physik, Vol. Vla/2, Springer-Verlq, Berlin

Aggregation and Gelation of Aromatic Polyamides with Parallel and Anti-parallel Alignment of Molecular Dipole Along the Backbone

NASA Astrophysics Data System (ADS)

Zhu, Dan; Shang, Jing; Ye, Xiaodong; Shen, Jian

2016-12-01

The understanding of macromolecular structures and interactions is important but difficult, due to the facts that a macromolecules are of versatile conformations and aggregate states, which vary with environmental conditions and histories. In this work two polyamides with parallel or anti-parallel dipoles along the linear backbone, named as ABAB (parallel) and AABB (anti-parallel) have been studied. By using a combination of methods, the phase behaviors of the polymers during the aggregate and gelation, i.e., the forming or dissociation processes of nuclei and fibril, cluster of fibrils, and cluster-cluster aggregation have been revealed. Such abundant phase behaviors are dominated by the inter-chain interactions, including dispersion, polarity and hydrogen bonding, and correlatd with the solubility parameters of solvents, the temperature, and the polymer concentration. The results of X-ray diffraction and fast-mode dielectric relaxation indicate that AABB possesses more rigid conformation than ABAB, and because of that AABB aggregates are of long fibers while ABAB is of hairy fibril clusters, the gelation concentration in toluene is 1 w/v% for AABB, lower than the 3 w/v% for ABAB.

Technical note: An approach to derive breeding goals from the preferences of decision makers.

PubMed

Alfonso, L

2016-11-01

This paper deals with the use of the Choquet integral to identify breeding objectives and construct an aggregate genotype. The Choquet integral can be interpreted as an extension of the aggregate genotype based on profit equations, substituting the vector of economic weights by a monotone function, called capacity, which allows the aggregation of traits based, for instance, on the preferences of decision makers. It allows the aggregation of traits with or without economic value, taking into account not only the importance of the breeding value of each trait but also the interaction among them. Two examples have been worked out for pig and dairy cattle breeding scenarios to illustrate its application. It is shown that the expression of stakeholders' or decision makers' preferences, as a single ranking of animals or groups of animals, could be sufficient to extract information to derive breeding objectives. It is also shown that coalitions among traits can be identified to evaluate whether a linear additive function, equivalent of the Hazel aggregate genotype where economic values are replaced by Shapley values, could be adequate to define the net merit of breeding animals.

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

Perera, Aurélien; Mazighi, Redha

Computer simulation studies of aqueous dimethyl sulfoxyde (DMSO) mixtures show micro-heterogeneous structures, just like aqueous alcohol mixtures. However, there is a marked difference in the aggregate structure of water between the two types of systems. While water molecules form multiconnected globular clusters in alcohols, we report herein that the typical water aggregates in aqueous DMSO mixtures are linear, favouring a 2 hydrogen bond structure per water molecule, and for all DMSO mole fractions ranging from 0.1 to 0.9. This linear-aggregate structure produces a particular signature in the water site-site structure factors, in the form of a pre-peak at k ≈more » 0.2–0.8 Å{sup −1}, depending on DMSO concentration. This pre-peak is either absent in other aqueous mixtures, such as aqueous methanol mixtures, or very difficult to see through computer simulations, such as in aqueous-t-butanol mixtures. This difference in the topology of the aggregates explains why the Kirkwood-Buff integrals of aqueous-DMSO mixture look nearly ideal, in contrast with those of aqueous alcohol mixtures, suggesting a connection between the shape of the water aggregates, its fluctuations, and the concentration fluctuations. In order to further study this discrepancy between aqueous DMSO and aqueous alcohol mixture, two models of pseudo-DMSO are introduced, where the size of the sulfur atom is increased by a factor 1.6 and 1.7, respectively, hence increasing the hydrophobicity of the molecule. The study shows that these mixtures become closer to the emulsion type seen in aqueous alcohol mixtures, with more globular clustering of the water molecules, long range domain oscillations in the water-water correlations and increased water-water Kirkwood-Buff integrals. It demonstrates that the local ordering of the water molecules is influenced by the nature of the solute molecules, with very different consequences for structural properties and related thermodynamic quantities. This study illustrates the unique plasticity of water in presence of different types of solutes.« less

A non-axisymmetric linearized supersonic wave drag analysis: Mathematical theory

NASA Technical Reports Server (NTRS)

Barnhart, Paul J.

1996-01-01

A Mathematical theory is developed to perform the calculations necessary to determine the wave drag for slender bodies of non-circular cross section. The derivations presented in this report are based on extensions to supersonic linearized small perturbation theory. A numerical scheme is presented utilizing Fourier decomposition to compute the pressure coefficient on and about a slender body of arbitrary cross section.

Application of mid-infrared free-electron laser tuned to amide bands for dissociation of aggregate structure of protein.

PubMed

Kawasaki, Takayasu; Yaji, Toyonari; Ohta, Toshiaki; Tsukiyama, Koichi

2016-01-01

A mid-infrared free-electron laser (FEL) is a linearly polarized, high-peak powered pulse laser with tunable wavelength within the mid-infrared absorption region. It was recently found that pathogenic amyloid fibrils could be partially dissociated to the monomer form by the irradiation of the FEL targeting the amide I band (C=O stretching vibration), amide II band (N-H bending vibration) and amide III band (C-N stretching vibration). In this study, the irradiation effect of the FEL on keratin aggregate was tested as another model to demonstrate an applicability of the FEL for dissociation of protein aggregates. Synchrotron radiation infrared microscopy analysis showed that the α-helix content in the aggregate structure decreased to almost the same level as that in the monomer state after FEL irradiation tuned to 6.06 µm (amide I band). Both irradiations at 6.51 µm (amide II band) and 8.06 µm (amide III band) also decreased the content of the aggregate but to a lesser extent than for the irradiation at the amide I band. On the contrary, the irradiation tuned to 5.6 µm (non-absorbance region) changed little the secondary structure of the aggregate. Scanning-electron microscopy observation at the submicrometer order showed that the angular solid of the aggregate was converted to non-ordered fragments by the irradiation at each amide band, while the aggregate was hardly deformed by the irradiation at 5.6 µm. These results demonstrate that the amide-specific irradiation by the FEL was effective for dissociation of the protein aggregate to the monomer form.

A discrete three-layer stack aggregate of a linear porphyrin tetramer: solution-phase structure elucidation by NMR and X-ray scattering.

PubMed

Hutin, Marie; Sprafke, Johannes K; Odell, Barbara; Anderson, Harry L; Claridge, Tim D W

2013-08-28

Formation of stacked aggregates can dramatically alter the properties of aromatic π-systems, yet the solution-phase structure elucidation of these aggregates is often impossible because broad distributions of species are formed, giving uninformative spectroscopic data. Here, we show that a butadiyne-linked zinc porphyrin tetramer forms a remarkably well-defined aggregate, consisting of exactly three molecules, in a parallel stacked arrangement (in chloroform at room temperature; concentration 1 mM-0.1 μM). The aggregate has a mass of 14.7 kDa. Unlike most previously reported aggregates, it gives sharp NMR resonances and aggregation is in slow exchange on the NMR time scale. The structure was elucidated using a range of NMR techniques, including diffusion-editing, (1)H-(29)Si HMBC, (1)H-(1)H COSY, TOCSY and NOESY, and (1)H-(13)C edited HSQC spectroscopy. Surprisingly, the (1)H-(1)H COSY spectrum revealed many long-range residual dipolar couplings (RDCs), and detailed analysis of magnetic field-induced (1)H-(13)C RDCs provided further evidence for the structural model. The size and shape of the aggregate is supported by small-angle X-ray scattering (SAXS) data. It adopts a geometry that maximizes van der Waals contact between the porphyrins, while avoiding clashes between side chains. The need for interdigitation of the side chains prevents formation of stacks consisting of more than three layers. Although a detailed analysis has only been carried out for one compound (the tetramer), comparison with the NMR spectra of other oligomers indicates that they form similar three-layer stacks. In all cases, aggregation can be prevented by addition of pyridine, although at low pyridine concentrations, disaggregation takes many hours to reach equilibrium.

Venous levels of shear support neutrophil-platelet adhesion and neutrophil aggregation in blood via P-selectin and beta2-integrin

NASA Technical Reports Server (NTRS)

Konstantopoulos, K.; Neelamegham, S.; Burns, A. R.; Hentzen, E.; Kansas, G. S.; Snapp, K. R.; Berg, E. L.; Hellums, J. D.; Smith, C. W.; McIntire, L. V.;

Venous levels of shear support neutrophil-platelet adhesion and neutrophil aggregation in blood via P-selectin and beta2-integrin.

PubMed

Konstantopoulos, K; Neelamegham, S; Burns, A R; Hentzen, E; Kansas, G S; Snapp, K R; Berg, E L; Hellums, J D; Smith, C W; McIntire, L V; Simon, S I

1998-09-01

After activation, platelets adhere to neutrophils via P-selectin and beta2-integrin. The molecular mechanisms and adhesion events in whole blood exposed to venous levels of hydrodynamic shear in the absence of exogenous activation remain unknown. Whole blood was sheared at approximately 100 s(-1). The kinetics of neutrophil-platelet adhesion and neutrophil aggregation were measured in real time by flow cytometry. P-selectin was upregulated to the platelet surface in response to shear and was the primary factor mediating neutrophil-platelet adhesion. The extent of neutrophil aggregation increased linearly with platelet adhesion to neutrophils. Blocking either P-selectin, its glycoprotein ligand PSGL-1, or both simultaneously by preincubation with a monoclonal antibody resulted in equivalent inhibition of neutrophil-platelet adhesion (approximately 30%) and neutrophil aggregation (approximately 70%). The residual amount of neutrophil adhesion was blocked with anti-CD11b/CD18. Treatment of blood with prostacyclin analogue ZK36374, which raises cAMP levels in platelets, blocked P-selectin upregulation and neutrophil aggregation to baseline. Complete abrogation of platelet-neutrophil adhesion required both ZK36374 and anti-CD18. Electron microscopic observations of fixed blood specimens revealed that platelets augmented neutrophil aggregation both by forming bridges between neutrophils and through contact-mediated activation. The results are consistent with a model in which venous levels of shear support platelet adherence to neutrophils via P-selectin binding PSGL-1. This interaction alone is sufficient to mediate neutrophil aggregation. Abrogation of platelet adhesion and aggregation requires blocking Mac-1 in addition to PSGL-1 or P-selectin. The described mechanisms are likely of key importance in the pathogenesis and progression of thrombotic disorders that are exacerbated by leukocyte-platelet aggregation.

High-throughput label-free detection of aggregate platelets with optofluidic time-stretch microscopy (Conference Presentation)

NASA Astrophysics Data System (ADS)

Jiang, Yiyue; Lei, Cheng; Yasumoto, Atsushi; Ito, Takuro; Guo, Baoshan; Kobayashi, Hirofumi; Ozeki, Yasuyuki; Yatomi, Yutaka; Goda, Keisuke

2017-02-01

According to WHO, approximately 10 million new cases of thrombotic disorders are diagnosed worldwide every year. In the U.S. and Europe, their related diseases kill more people than those from AIDS, prostate cancer, breast cancer and motor vehicle accidents combined. Although thrombotic disorders, especially arterial ones, mainly result from enhanced platelet aggregability in the vascular system, visual detection of platelet aggregates in vivo is not employed in clinical settings. Here we present a high-throughput label-free platelet aggregate detection method, aiming at the diagnosis and monitoring of thrombotic disorders in clinical settings. With optofluidic time-stretch microscopy with a spatial resolution of 780 nm and an ultrahigh linear scanning rate of 75 MHz, it is capable of detecting aggregated platelets in lysed blood which flows through a hydrodynamic-focusing microfluidic device at a high throughput of 10,000 particles/s. With digital image processing and statistical analysis, we are able to distinguish them from single platelets and other blood cells via morphological features. The detection results are compared with results of fluorescence-based detection (which is slow and inaccurate, but established). Our results indicate that the method holds promise for real-time, low-cost, label-free, and minimally invasive detection of platelet aggregates, which is potentially applicable to detection of platelet aggregates in vivo and to the diagnosis and monitoring of thrombotic disorders in clinical settings. This technique, if introduced clinically, may provide important clinical information in addition to that obtained by conventional techniques for thrombotic disorder diagnosis, including ex vivo platelet aggregation tests.

Dye Aggregation and Complex Formation Effects in 7-(Diethylamino)-coumarin-3-carboxylic Acid

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

Liu, Xiaogang; Cole, Jacqueline M.; Chow, Philip C. Y.

2014-06-19

7-(Diethylamino)-coumarin-3-carboxylic acid (1) has been used as a laser dye, fluorescent label, and biomedical inhibitor in many different applications. Although this dye is typically used in the solution phase, it is prone to molecular aggregation, resulting in many inconsistent optoelectronic properties being reported in the literature. In this paper, the UV—vis absorption and fluorescence spectra of 1 are investigated in three representative solvents: cyclohexane [nonpolar and non-hydrogen bonding (NHB)], ethanol (moderately polar and hydrogen-bond accepting/donating), and DMSO (strongly polar and hydrogen-bond accepting). These experimental results, in conjunction with (time-dependent) density functional theory (DFT/TDDFT) based quantum calculations, have led to themore » identification of the J-aggregates of 1, and rationalized its different aggregation characteristic in cyclohexane in contrast to that of another similar compound, coumarin 343. We show here that these aggregates are largely responsible for the anomalous optoelectronic properties of this compound. In addition, DFT calculations and 1H NMR spectroscopy measurements suggest that the intramolecular hydrogen bond in 1 could be "opened up" in hydrogen-bond accepting solvents, affording significant molecular conformational changes and complex formation effects. The comprehensive understanding of the molecular aggregation and complex formation mechanisms of 1 acquired through this work forms a foundation for the knowledge-based molecular design of organic dyes with tailored aggregation tendencies or anti-aggregation characteristics to cater for different opapplications.« less

On the Validity of the Streaming Model for the Redshift-Space Correlation Function in the Linear Regime

NASA Astrophysics Data System (ADS)

Fisher, Karl B.

1995-08-01

The relation between the galaxy correlation functions in real-space and redshift-space is derived in the linear regime by an appropriate averaging of the joint probability distribution of density and velocity. The derivation recovers the familiar linear theory result on large scales but has the advantage of clearly revealing the dependence of the redshift distortions on the underlying peculiar velocity field; streaming motions give rise to distortions of θ(Ω0.6/b) while variations in the anisotropic velocity dispersion yield terms of order θ(Ω1.2/b2). This probabilistic derivation of the redshift-space correlation function is similar in spirit to the derivation of the commonly used "streaming" model, in which the distortions are given by a convolution of the real-space correlation function with a velocity distribution function. The streaming model is often used to model the redshift-space correlation function on small, highly nonlinear, scales. There have been claims in the literature, however, that the streaming model is not valid in the linear regime. Our analysis confirms this claim, but we show that the streaming model can be made consistent with linear theory provided that the model for the streaming has the functional form predicted by linear theory and that the velocity distribution is chosen to be a Gaussian with the correct linear theory dispersion.

Texture-contrast profile development across the prairie-forest ecotone in northern Minnesota, USA, and its relation to soil aggregation and clay dispersion.

NASA Astrophysics Data System (ADS)

Kasmerchak, C. S.; Mason, J. A.

2016-12-01

Along the prairie-forest ecotone, Alfisols with distinct clay-enriched B horizons are found under forest, established only within the past 4 ka, including outlying patches of prairie groves surrounded by prairie. Grassland soils only 5-10 km away from the vegetation boundary show much weaker texture-contrast. In order for clay to be dispersed it must first be released from aggregates upper horizons, which occurs when exposed top soil undergoes wetting and mechanical stress. The relationship between physiochemical soil characteristics and soil aggregation/clay dispersion is of particular interest in explaining texture-contrast development under forest. Soil samples were collected along a transect in northern Minnesota on gentle slopes in similar glacial sediment. Aggregate stability experiments show Mollisol A and B horizons have the most stable aggregates, while Alfisol E horizons have the weakest aggregates and disintegrate rapidly. This demonstrates the strong influence of OM and exchange chemistry on aggregation. Analysis of other physiochemical soil characteristics such as base saturation and pH follow a gradual decreasing eastward trend across the study sites, and do not abruptly change at the prairie-forest boundary like soil morphology does. Linear models show the strongest relationship between rapid aggregate disintegration and ECEC, although they only explain 47-50% of the variance. Higher surface charge enhances aggregation by allowing for greater potential of cation bridging between OM and clay particles. ECEC also represents multiple soil characteristics such as OC, clay, mineralogy, and carbonate presence, suggesting the relationship between aggregation stability and soil characteristics is not simple. Given the parent material consists of calcareous glacial sediment, abundant Ca2+ and Mg2+ from carbonates weathering also contributes to enhanced aggregation in upper horizons. Differences in the rates of bioturbation, most likely also contribute differences in soil morphology, although this was not explored in this research.

Nanoporous poly(3-hexylthiophene) thin film structures from self-organization of a tunable molecular bottlebrush scaffold

DOE PAGES

Ahn, Suk-kyun; Carrillo, Jan-Michael Y.; Keum, Jong K.; ...

2017-04-07

The ability to widely tune the design of macromolecular bottlebrushes provides access to self-assembled nanostructures formed by microphase segregation in melt, thin film and solution that depart from structures adopted by simple linear copolymers. A series of random bottlebrush copolymers containing poly(3-hexylthiophene) (P3HT) and poly(D,L-lactide) (PLA) side chains grafted on a poly(norbornene) backbone were synthesized via ring-opening metathesis polymerization (ROMP) using the grafting through approach. P3HT side chains induce a physical aggregation of the bottlebrush copolymers upon solvent removal by vacuum drying, primarily driven by attractive π–π interactions; however, the amount of aggregation can be controlled by adjusting side chainmore » composition or by adding linear P3HT chains to the bottlebrush copolymers. Coarse-grained molecular dynamics simulations reveal that linear P3HT chains preferentially associate with P3HT side chains of bottlebrush copolymers, which tends to reduce the aggregation. The nanoscale morphology of microphase segregated thin films created by casting P3HT–PLA random bottlebrush copolymers is highly dependent on the composition of P3HT and PLA side chains, while domain spacing of nanostructures is mainly determined by the length of the side chains. The selective removal of PLA side chains under alkaline conditions generates nanoporous P3HT structures that can be tuned by manipulating molecular design of the bottlebrush scaffold, which is affected by molecular weight and grafting density of the side chains, and their sequence. Furthermore, the ability to exploit the unusual architecture of bottlebrushes to fabricate tunable nanoporous P3HT thin film structures may be a useful way to design templates for optoelectronic applications or membranes for separations.« less

Nanoporous poly(3-hexylthiophene) thin film structures from self-organization of a tunable molecular bottlebrush scaffold

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

Ahn, Suk-kyun; Carrillo, Jan-Michael Y.; Keum, Jong K.

The ability to widely tune the design of macromolecular bottlebrushes provides access to self-assembled nanostructures formed by microphase segregation in melt, thin film and solution that depart from structures adopted by simple linear copolymers. A series of random bottlebrush copolymers containing poly(3-hexylthiophene) (P3HT) and poly(D,L-lactide) (PLA) side chains grafted on a poly(norbornene) backbone were synthesized via ring-opening metathesis polymerization (ROMP) using the grafting through approach. P3HT side chains induce a physical aggregation of the bottlebrush copolymers upon solvent removal by vacuum drying, primarily driven by attractive π–π interactions; however, the amount of aggregation can be controlled by adjusting side chainmore » composition or by adding linear P3HT chains to the bottlebrush copolymers. Coarse-grained molecular dynamics simulations reveal that linear P3HT chains preferentially associate with P3HT side chains of bottlebrush copolymers, which tends to reduce the aggregation. The nanoscale morphology of microphase segregated thin films created by casting P3HT–PLA random bottlebrush copolymers is highly dependent on the composition of P3HT and PLA side chains, while domain spacing of nanostructures is mainly determined by the length of the side chains. The selective removal of PLA side chains under alkaline conditions generates nanoporous P3HT structures that can be tuned by manipulating molecular design of the bottlebrush scaffold, which is affected by molecular weight and grafting density of the side chains, and their sequence. Furthermore, the ability to exploit the unusual architecture of bottlebrushes to fabricate tunable nanoporous P3HT thin film structures may be a useful way to design templates for optoelectronic applications or membranes for separations.« less

The Rising Cost of Higher Education: Charles Eliot's "Free Money" Strategy and the Beginning of Howard Bowen's "Revenue Theory of Cost," 1869-1979

ERIC Educational Resources Information Center

Kimball, Bruce A.

2014-01-01

In order to explain the rising cost of higher education, economist Howard Bowen in 1980 proposed his "famous law" of institutional finance. Bowen based his "revenue theory of cost" on a study of aggregate quantitative data extending from 1929 to 1979. Neither he nor subsequent economists asked whether or how that…

Estimating cosmic velocity fields from density fields and tidal tensors

NASA Astrophysics Data System (ADS)

Kitaura, Francisco-Shu; Angulo, Raul E.; Hoffman, Yehuda; Gottlöber, Stefan

2012-10-01

In this work we investigate the non-linear and non-local relation between cosmological density and peculiar velocity fields. Our goal is to provide an algorithm for the reconstruction of the non-linear velocity field from the fully non-linear density. We find that including the gravitational tidal field tensor using second-order Lagrangian perturbation theory based upon an estimate of the linear component of the non-linear density field significantly improves the estimate of the cosmic flow in comparison to linear theory not only in the low density, but also and more dramatically in the high-density regions. In particular we test two estimates of the linear component: the lognormal model and the iterative Lagrangian linearization. The present approach relies on a rigorous higher order Lagrangian perturbation theory analysis which incorporates a non-local relation. It does not require additional fitting from simulations being in this sense parameter free, it is independent of statistical-geometrical optimization and it is straightforward and efficient to compute. The method is demonstrated to yield an unbiased estimator of the velocity field on scales ≳5 h-1 Mpc with closely Gaussian distributed errors. Moreover, the statistics of the divergence of the peculiar velocity field is extremely well recovered showing a good agreement with the true one from N-body simulations. The typical errors of about 10 km s-1 (1σ confidence intervals) are reduced by more than 80 per cent with respect to linear theory in the scale range between 5 and 10 h-1 Mpc in high-density regions (δ > 2). We also find that iterative Lagrangian linearization is significantly superior in the low-density regime with respect to the lognormal model.

Effect of salt entropy on protein solubility and Hofmeister series

NASA Astrophysics Data System (ADS)

Dahal, Yuba; Schmit, Jeremy

We present a theory of salt effects on protein solubility that accounts for salting-in, salting-out, and the Hofmeister series. We represent protein charge by the first order multipole expansion to include attractive and repulsive electrostatic interactions in the model. Our model also includes non-electrostatic protein-ion interactions, and ion-solvent interactions via an effective solvated ion radius. We find that the finite size of the ions has significant effects on the translational entropy of the salt, which accounts for the changes in the protein solubility. At low salt the dominant effect comes from the entropic cost of confining ions within the aggregate. At high concentrations the salt drives a depletion attraction that favors aggregation. Our theory explains the reversal in the Hofmeister series observed in lysozyme cloud point measurements and semi-quantitatively describes the solubility of lysozyme and chymosin crystals.

Cultural Consensus Theory: Aggregating Continuous Responses in a Finite Interval

NASA Astrophysics Data System (ADS)

Batchelder, William H.; Strashny, Alex; Romney, A. Kimball

Cultural consensus theory (CCT) consists of cognitive models for aggregating responses of "informants" to test items about some domain of their shared cultural knowledge. This paper develops a CCT model for items requiring bounded numerical responses, e.g. probability estimates, confidence judgments, or similarity judgments. The model assumes that each item generates a latent random representation in each informant, with mean equal to the consensus answer and variance depending jointly on the informant and the location of the consensus answer. The manifest responses may reflect biases of the informants. Markov Chain Monte Carlo (MCMC) methods were used to estimate the model, and simulation studies validated the approach. The model was applied to an existing cross-cultural dataset involving native Japanese and English speakers judging the similarity of emotion terms. The results sharpened earlier studies that showed that both cultures appear to have very similar cognitive representations of emotion terms.

Hydrodynamic advantages of swimming by salp chains.

PubMed

Sutherland, Kelly R; Weihs, Daniel

2017-08-01

Salps are marine invertebrates comprising multiple jet-propelled swimming units during a colonial life-cycle stage. Using theory, we show that asynchronous swimming with multiple pulsed jets yields substantial hydrodynamic benefit due to the production of steady swimming velocities, which limit drag. Laboratory comparisons of swimming kinematics of aggregate salps ( Salpa fusiformis and Weelia cylindrica ) using high-speed video supported that asynchronous swimming by aggregates results in a smoother velocity profile and showed that this smoother velocity profile is the result of uncoordinated, asynchronous swimming by individual zooids. In situ flow visualizations of W. cylindrica swimming wakes revealed that another consequence of asynchronous swimming is that fluid interactions between jet wakes are minimized. Although the advantages of multi-jet propulsion have been mentioned elsewhere, this is the first time that the theory has been quantified and the role of asynchronous swimming verified using experimental data from the laboratory and the field. © 2017 The Author(s).

Do Reuss and Voigt Bounds Really Bound in High-Pressure Rheology Experiments?

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

Chen,J.; Li, L.; Yu, T.

2006-01-01

Energy dispersive synchrotron x-ray diffraction is carried out to measure differential lattice strains in polycrystalline Fe{sub 2}SiO{sub 4} (fayalite) and MgO samples using a multi-element solid state detector during high-pressure deformation. The theory of elastic modeling with Reuss (iso-stress) and Voigt (iso-strain) bounds is used to evaluate the aggregate stress and weight parameter, {alpha} (0{le}{alpha}{le}1), of the two bounds. Results under the elastic assumption quantitatively demonstrate that a highly stressed sample in high-pressure experiments reasonably approximates to an iso-stress state. However, when the sample is plastically deformed, the Reuss and Voigt bounds are no longer valid ({alpha} becomes beyond 1).more » Instead, if plastic slip systems of the sample are known (e.g. in the case of MgO), the aggregate property can be modeled using a visco-plastic self-consistent theory.« less

Index of NACA Technical Publications, 1915 - 1949

DTIC Science & Technology

1950-03-31

in Linearized Supersonic Swanson, Robert S. and Gillis, Clarence Wing Theory. TN 1767, April 1949. L.: ’Vind-Tunnel Calibration and Cor- rection...Symmetrical Joukowski Profiles.Heaslet, Max, A.; Lomax, Harvard and Rept. 621, 1938. Spreiter, John R.: Linearized Com- pressible-Flow Theory for Sonic Flight...Rept. 624, 1938. TheApplication of Green’s Theoremto the Solution of Boundary-Value Stack, John; Lindsey, W. F. and-Littell, Problems in Linearized

Behavioral transitions induced by speed and noise in animal aggregates

NASA Astrophysics Data System (ADS)

Cambui, Dorílson S.; Iliass, Tarras

2017-04-01

In this paper, we used a self-propelled particle model to study the transition between phases of collective behavior observed in animal aggregates. In these systems, transitions occur when individuals shift from one collective state to another. We investigated transitions induced by both the speed and the noise. Statistical quantities that characterize the phase transition driven by noise, such as order parameter, the Binder cumulant and the susceptibility were analyzed, and we used the finite-size scaling theory to estimate the critical exponent ratios β/ν and γ/ν.

The influence of ionic strength and organic compounds on nanoparticle TiO2 (n-TiO2) aggregation.

PubMed

Lee, Jaewoong; Bartelt-Hunt, Shannon L; Li, Yusong; Gilrein, Erica Jeanne

2016-07-01

This study investigated the aggregation of n-TiO2 in the presence of humic acid (HA) and/or 17β-estradiol (E2) under high ionic strength conditions simulating levels detected in landfill leachate. Aggregation of n-TiO2 was strongly influenced by ionic strength as well as ionic valence in that divalent cations (Ca(2+)) were more effective than monovalent (Na(+)) at the surface modification. HA or E2 enhanced aggregation of n-TiO2 in 20 mM CaCl2, however little aggregation was observed in 100 mM NaCl. Similarly, we observed only the increased aggregation of n-TiO2 in the presence of HA/E2. These results showed the critical role of particles' surface charges on the aggregation behaviors of n-TiO2 that HA plays more significantly than E2. However, the slightly increased zeta potential and aggregation of n-TiO2 in the combination of HA and E2 at both 20 mM CaCl2 and 100 mM NaCl means that E2 has influenced on the surface modification of n-TiO2 by adsorption. Based on the aggregation of n-TiO2 under high ionic strength with HA and/or E2, we simulated the mobility of aggregated n-TiO2 in porous media. As a result, we observed that the mobility distance of aggregated n-TiO2 was dramatically influenced by the surface modification with both HA and/or E2 between particles and media. Furthermore, larger mobility distance was observed with larger aggregation of n-TiO2 particles that can be explained by clean bed filtration (CFT) theory. Copyright © 2016 Elsevier Ltd. All rights reserved.

Variation of Soil Aggregation along the Weathering Gradient: Comparison of Grain Size Distribution under Different Disruptive Forces.

PubMed

Wei, Yujie; Wu, Xinliang; Xia, Jinwen; Shen, Xue; Cai, Chongfa

2016-01-01

The formation and stabilization of soil aggregates play a key role in soil functions. To date, few studies have been performed on the variation of soil aggregation with increasing soil weathering degree. Here, soil aggregation and its influencing factors along the weathering gradient were investigated. Six typical zonal soils (derived from similar parent materials) were sampled from temperate to tropical regions. Grain size distribution (GSD) in aggregate fragmentation with increasing disruptive forces (air-dried, water dispersion and chemical dispersion) was determined by laser diffraction particle size analyzer. Different forms of sesquioxides were determined by selective chemical extraction and their contributions to soil aggregation were identified by multiple stepwise regression analysis. The high variability of sesquioxides in different forms appeared with increasing free oxide content (Fed and Ald) from the temperate to tropical soils. The transformation of GSD peak to small size varied with increasing disruptive forces (p<0.05). Although in different weathering degrees, zonal soils showed a similar fragmentation process. Aggregate water stability generally increased with increasing soil weathering (p<0.01), with higher stability in eluvium (A) horizon than in illuvium (B) horizon (p<0.01). Crystalline oxides and amorphous iron oxides (Feo), especially (Fed-Feo) contributed to the formation of air-dried macroaggregates and their stability against slaking (R2 = 55%, p<0.01), while fine particles (<50μm) and Feo (excluding the complex form Fep) played a positive role in the formation of water stable aggregates (R2 = 93%, p<0.01). Additionally, water stable aggregates (including stability, size distribution and specific surface area) were closely related with pH, organic matter, cation exchange capacity (CEC), bulk density (BD), and free oxides (including various forms) (p<0.05). The overall results indicate that soil aggregation conforms to aggregate hierarchy theory to some extent along the weathering gradient and different forms of sesquioxides perform their specific roles in the formation and stabilization of different size aggregates.

Variation of Soil Aggregation along the Weathering Gradient: Comparison of Grain Size Distribution under Different Disruptive Forces

PubMed Central

Wu, Xinliang; Xia, Jinwen; Shen, Xue; Cai, Chongfa

2016-01-01

The formation and stabilization of soil aggregates play a key role in soil functions. To date, few studies have been performed on the variation of soil aggregation with increasing soil weathering degree. Here, soil aggregation and its influencing factors along the weathering gradient were investigated. Six typical zonal soils (derived from similar parent materials) were sampled from temperate to tropical regions. Grain size distribution (GSD) in aggregate fragmentation with increasing disruptive forces (air-dried, water dispersion and chemical dispersion) was determined by laser diffraction particle size analyzer. Different forms of sesquioxides were determined by selective chemical extraction and their contributions to soil aggregation were identified by multiple stepwise regression analysis. The high variability of sesquioxides in different forms appeared with increasing free oxide content (Fed and Ald) from the temperate to tropical soils. The transformation of GSD peak to small size varied with increasing disruptive forces (p<0.05). Although in different weathering degrees, zonal soils showed a similar fragmentation process. Aggregate water stability generally increased with increasing soil weathering (p<0.01), with higher stability in eluvium (A) horizon than in illuvium (B) horizon (p<0.01). Crystalline oxides and amorphous iron oxides (Feo), especially (Fed-Feo) contributed to the formation of air-dried macroaggregates and their stability against slaking (R2 = 55%, p<0.01), while fine particles (<50μm) and Feo (excluding the complex form Fep) played a positive role in the formation of water stable aggregates (R2 = 93%, p<0.01). Additionally, water stable aggregates (including stability, size distribution and specific surface area) were closely related with pH, organic matter, cation exchange capacity (CEC), bulk density (BD), and free oxides (including various forms) (p<0.05). The overall results indicate that soil aggregation conforms to aggregate hierarchy theory to some extent along the weathering gradient and different forms of sesquioxides perform their specific roles in the formation and stabilization of different size aggregates. PMID:27529618

The spectral applications of Beer-Lambert law for some biological and dosimetric materials

NASA Astrophysics Data System (ADS)

Içelli, Orhan; Yalçin, Zeynel; Karakaya, Vatan; Ilgaz, Işıl P.

2014-08-01

The aim of this study is to conduct quantitative and qualitative analysis of biological and dosimetric materials which contain organic and inorganic materials and to make the determination by using the spectral theorem Beer-Lambert law. Beer-Lambert law is a system of linear equations for the spectral theory. It is possible to solve linear equations with a non-zero coefficient matrix determinant forming linear equations. Characteristic matrix of the linear equation with zero determinant is called point spectrum at the spectral theory.

Linear and conformation specific antibodies in aged beagles after prolonged vaccination with aggregated Abeta

PubMed Central

Vasilevko, Vitaly; Pop, Viorela; Kim, Hyun Jin; Saing, Tommy; Glabe, Charles C.; Milton, Saskia; Barrett, Edward G.; Cotman, Carl W.; Cribbs, David H.; Head, Elizabeth

2010-01-01

Previously we showed that anti-Aβ peptide immunotherapy significantly attenuated Alzheimer’s-like amyloid deposition in the central nervous system of aged canines. In this report we have characterized the changes that occurred in the humoral immune response over 2.4 years in canines immunized repeatedly with aggregated Aβ1–42 (AN1792) formulated in alum adjuvant. We observed a rapid and robust induction of anti-Aβ antibody titers, which were associated with an anti-inflammatory T helper type 2 (Th2) response. The initial antibody response was against dominant linear epitope at the N-terminus region of the Aβ1–42 peptide, which is identical to the one in humans and vervet monkeys. After multiple immunizations the antibody response drifted toward the elevation of antibodies that recognized conformational epitopes of assembled forms of Aβ and other types of amyloid. Our findings indicate that prolonged immunization results in distinctive temporal changes in antibody profiles, which may be important for other experimental and clinical settings. PMID:20451612

The effects of nutrient chemotaxis on bacterial aggregation patterns with non-linear degenerate cross diffusion

NASA Astrophysics Data System (ADS)

Leyva, J. Francisco; Málaga, Carlos; Plaza, Ramón G.

2013-11-01

This paper studies a reaction-diffusion-chemotaxis model for bacterial aggregation patterns on the surface of thin agar plates. It is based on the non-linear degenerate cross diffusion model proposed by Kawasaki et al. (1997) [5] and it includes a suitable nutrient chemotactic term compatible with such type of diffusion, as suggested by Ben-Jacob et al. (2000) [20]. An asymptotic estimation predicts the growth velocity of the colony envelope as a function of both the nutrient concentration and the chemotactic sensitivity. It is shown that the growth velocity is an increasing function of the chemotactic sensitivity. High resolution numerical simulations using Graphic Processing Units (GPUs), which include noise in the diffusion coefficient for the bacteria, are presented. The numerical results verify that the chemotactic term enhances the velocity of propagation of the colony envelope. In addition, the chemotaxis seems to stabilize the formation of branches in the soft-agar, low-nutrient regime.

T-matrix modeling of linear depolarization by morphologically complex soot and soot-containing aerosols

NASA Astrophysics Data System (ADS)

Mishchenko, Michael I.; Liu, Li; Mackowski, Daniel W.

2013-07-01

We use state-of-the-art public-domain Fortran codes based on the T-matrix method to calculate orientation and ensemble averaged scattering matrix elements for a variety of morphologically complex black carbon (BC) and BC-containing aerosol particles, with a special emphasis on the linear depolarization ratio (LDR). We explain theoretically the quasi-Rayleigh LDR peak at side-scattering angles typical of low-density soot fractals and conclude that the measurement of this feature enables one to evaluate the compactness state of BC clusters and trace the evolution of low-density fluffy fractals into densely packed aggregates. We show that small backscattering LDRs measured with ground-based, airborne, and spaceborne lidars for fresh smoke generally agree with the values predicted theoretically for fluffy BC fractals and densely packed near-spheroidal BC aggregates. To reproduce higher lidar LDRs observed for aged smoke, one needs alternative particle models such as shape mixtures of BC spheroids or cylinders.

T-Matrix Modeling of Linear Depolarization by Morphologically Complex Soot and Soot-Containing Aerosols

NASA Technical Reports Server (NTRS)

Mishchenko, Michael I.; Liu, Li; Mackowski, Daniel W.

2013-01-01

We use state-of-the-art public-domain Fortran codes based on the T-matrix method to calculate orientation and ensemble averaged scattering matrix elements for a variety of morphologically complex black carbon (BC) and BC-containing aerosol particles, with a special emphasis on the linear depolarization ratio (LDR). We explain theoretically the quasi-Rayleigh LDR peak at side-scattering angles typical of low-density soot fractals and conclude that the measurement of this feature enables one to evaluate the compactness state of BC clusters and trace the evolution of low-density fluffy fractals into densely packed aggregates. We show that small backscattering LDRs measured with groundbased, airborne, and spaceborne lidars for fresh smoke generally agree with the values predicted theoretically for fluffy BC fractals and densely packed near-spheroidal BC aggregates. To reproduce higher lidar LDRs observed for aged smoke, one needs alternative particle models such as shape mixtures of BC spheroids or cylinders.

Asymmetrical flow field-flow fractionation hyphenated to Orbitrap high resolution mass spectrometry for the determination of (functionalised) aqueous fullerene aggregates.

PubMed

Herrero, P; Bäuerlein, P S; Emke, E; Pocurull, E; de Voogt, P

2014-08-22

In this short communication we report on the technical implementations of coupling an asymmetric flow field-flow fractionation (AF4) instrument to a high resolution mass spectrometer (Orbitrap) using an atmospheric photoionisation interface. This will allow for the first time online identification of different fullerenes in aqueous samples after their aggregates have been fractionated in the FFF channel. Quality parameters such as limits of detection (LODs), limits of quantification (LOQs) or linear range were evaluated and they were in the range of hundreds ng/L for LODs and LOQs and the detector response was linear in the range tested (up to ∼20 μg/L). The low detection and quantification limits make this technique useful for future environmental or ecotoxicology studies in which low concentration levels are expected for fullerenes and common on-line detectors such as UV or MALS do not have enough sensitivity and selectivity. Copyright © 2014 The Authors. Published by Elsevier B.V. All rights reserved.

Applicability of linearized-theory attached-flow methods to design and analysis of flap systems at low speeds for thin swept wings with sharp leading edges

NASA Technical Reports Server (NTRS)

Carlson, Harry W.; Darden, Christine M.

1987-01-01

Low-speed experimental force and data on a series of thin swept wings with sharp leading edges and leading and trailing-edge flaps are compared with predictions made using a linearized-theory method which includes estimates of vortex forces. These comparisons were made to assess the effectiveness of linearized-theory methods for use in the design and analysis of flap systems in subsonic flow. Results demonstrate that linearized-theory, attached-flow methods (with approximate representation of vortex forces) can form the basis of a rational system for flap design and analysis. Even attached-flow methods that do not take vortex forces into account can be used for the selection of optimized flap-system geometry, but design-point performance levels tend to be underestimated unless vortex forces are included. Illustrative examples of the use of these methods in the design of efficient low-speed flap systems are included.

Impact of high-performance work systems on individual- and branch-level performance: test of a multilevel model of intermediate linkages.

PubMed

Aryee, Samuel; Walumbwa, Fred O; Seidu, Emmanuel Y M; Otaye, Lilian E

2012-03-01

We proposed and tested a multilevel model, underpinned by empowerment theory, that examines the processes linking high-performance work systems (HPWS) and performance outcomes at the individual and organizational levels of analyses. Data were obtained from 37 branches of 2 banking institutions in Ghana. Results of hierarchical regression analysis revealed that branch-level HPWS relates to empowerment climate. Additionally, results of hierarchical linear modeling that examined the hypothesized cross-level relationships revealed 3 salient findings. First, experienced HPWS and empowerment climate partially mediate the influence of branch-level HPWS on psychological empowerment. Second, psychological empowerment partially mediates the influence of empowerment climate and experienced HPWS on service performance. Third, service orientation moderates the psychological empowerment-service performance relationship such that the relationship is stronger for those high rather than low in service orientation. Last, ordinary least squares regression results revealed that branch-level HPWS influences branch-level market performance through cross-level and individual-level influences on service performance that emerges at the branch level as aggregated service performance.

Analytic derivative couplings and first-principles exciton/phonon coupling constants for an ab initio Frenkel-Davydov exciton model: Theory, implementation, and application to compute triplet exciton mobility parameters for crystalline tetracene.

PubMed

Morrison, Adrian F; Herbert, John M

2017-06-14

Recently, we introduced an ab initio version of the Frenkel-Davydov exciton model for computing excited-state properties of molecular crystals and aggregates. Within this model, supersystem excited states are approximated as linear combinations of excitations localized on molecular sites, and the electronic Hamiltonian is constructed and diagonalized in a direct-product basis of non-orthogonal configuration state functions computed for isolated fragments. Here, we derive and implement analytic derivative couplings for this model, including nuclear derivatives of the natural transition orbital and symmetric orthogonalization transformations that are part of the approximation. Nuclear derivatives of the exciton Hamiltonian's matrix elements, required in order to compute the nonadiabatic couplings, are equivalent to the "Holstein" and "Peierls" exciton/phonon couplings that are widely discussed in the context of model Hamiltonians for energy and charge transport in organic photovoltaics. As an example, we compute the couplings that modulate triplet exciton transport in crystalline tetracene, which is relevant in the context of carrier diffusion following singlet exciton fission.

Waves and instabilities in plasmas

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

Chen, L.

1987-01-01

The contents of this book are: Plasma as a Dielectric Medium; Nyquist Technique; Absolute and Convective Instabilities; Landau Damping and Phase Mixing; Particle Trapping and Breakdown of Linear Theory; Solution of Viasov Equation via Guilding-Center Transformation; Kinetic Theory of Magnetohydrodynamic Waves; Geometric Optics; Wave-Kinetic Equation; Cutoff and Resonance; Resonant Absorption; Mode Conversion; Gyrokinetic Equation; Drift Waves; Quasi-Linear Theory; Ponderomotive Force; Parametric Instabilities; Problem Sets for Homework, Midterm and Final Examinations.

The Importance of Why: An Intelligence Approach for a Multi-Polar World

DTIC Science & Technology

2016-04-04

December 27, 2015). 12. 2 Jupiter Scientific, “Definitions of Important Terms in Chaos Theory ,” Jupiter Scientific website, http...Important Terms in Chaos Theory .” Linearizing a system is approximating a nonlinear system through the application of linear system model. 25...Complexity Theory to Anticipate Strategic Surprise,” 24. 16 M. Mitchell Waldrop, Complexity: The Emerging Science at the Edge of Order and Chaos (New

Robust global identifiability theory using potentials--Application to compartmental models.

PubMed

Wongvanich, N; Hann, C E; Sirisena, H R

2015-04-01

This paper presents a global practical identifiability theory for analyzing and identifying linear and nonlinear compartmental models. The compartmental system is prolonged onto the potential jet space to formulate a set of input-output equations that are integrals in terms of the measured data, which allows for robust identification of parameters without requiring any simulation of the model differential equations. Two classes of linear and non-linear compartmental models are considered. The theory is first applied to analyze the linear nitrous oxide (N2O) uptake model. The fitting accuracy of the identified models from differential jet space and potential jet space identifiability theories is compared with a realistic noise level of 3% which is derived from sensor noise data in the literature. The potential jet space approach gave a match that was well within the coefficient of variation. The differential jet space formulation was unstable and not suitable for parameter identification. The proposed theory is then applied to a nonlinear immunological model for mastitis in cows. In addition, the model formulation is extended to include an iterative method which allows initial conditions to be accurately identified. With up to 10% noise, the potential jet space theory predicts the normalized population concentration infected with pathogens, to within 9% of the true curve. Copyright © 2015 Elsevier Inc. All rights reserved.

Numerical Test of Analytical Theories for Perpendicular Diffusion in Small Kubo Number Turbulence

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

Heusen, M.; Shalchi, A., E-mail: husseinm@myumanitoba.ca, E-mail: andreasm4@yahoo.com

In the literature, one can find various analytical theories for perpendicular diffusion of energetic particles interacting with magnetic turbulence. Besides quasi-linear theory, there are different versions of the nonlinear guiding center (NLGC) theory and the unified nonlinear transport (UNLT) theory. For turbulence with high Kubo numbers, such as two-dimensional turbulence or noisy reduced magnetohydrodynamic turbulence, the aforementioned nonlinear theories provide similar results. For slab and small Kubo number turbulence, however, this is not the case. In the current paper, we compare different linear and nonlinear theories with each other and test-particle simulations for a noisy slab model corresponding to smallmore » Kubo number turbulence. We show that UNLT theory agrees very well with all performed test-particle simulations. In the limit of long parallel mean free paths, the perpendicular mean free path approaches asymptotically the quasi-linear limit as predicted by the UNLT theory. For short parallel mean free paths we find a Rechester and Rosenbluth type of scaling as predicted by UNLT theory as well. The original NLGC theory disagrees with all performed simulations regardless what the parallel mean free path is. The random ballistic interpretation of the NLGC theory agrees much better with the simulations, but compared to UNLT theory the agreement is inferior. We conclude that for this type of small Kubo number turbulence, only the latter theory allows for an accurate description of perpendicular diffusion.« less

A fresh look at linear ordinary differential equations with constant coefficients. Revisiting the impulsive response method using factorization

NASA Astrophysics Data System (ADS)

Camporesi, Roberto

2016-01-01

We present an approach to the impulsive response method for solving linear constant-coefficient ordinary differential equations of any order based on the factorization of the differential operator. The approach is elementary, we only assume a basic knowledge of calculus and linear algebra. In particular, we avoid the use of distribution theory, as well as of the other more advanced approaches: Laplace transform, linear systems, the general theory of linear equations with variable coefficients and variation of parameters. The approach presented here can be used in a first course on differential equations for science and engineering majors.

Reevaluation of the role of the polar groups of collagen in the platelet-collagen interaction.

PubMed Central

Chesney, C. M.; Pifer, D. D.; Crofford, L. J.; Huch, K. M.

1983-01-01

Chemical modification of collagen is a tool for exploring the platelet-collagen interaction. Since collagen must polymerize prior to the initiation of platelet aggregation and secretion, modification must be shown to affect platelet-collagen interaction and not collagen-collagen interaction. To address this point, the authors carried out the following chemical modifications on soluble monomeric collagen and preformed fibrillar collagen in parallel: 1) N-and O-acetylation, 2) esterification of the carboxyl groups, 3) succinylation of the free amino groups, 4) esterification of succinylated collagen. Intrinsic viscosity studies of the modified soluble collagens were consistent with normal triple helix conformation. Electron microscopy revealed all modified fibrillar collagen to maintain a fibrillar structure. Platelet aggregation and secretion of 14C-serotonin and platelet factor 4 by soluble and fibrillar collagen, respectively, were studied in human platelet-rich plasma. Neutralization of polar groups by 1) totally abolished aggregation and secretion by both collagens, while blocking acidic groups 2) resulted in enhanced aggregation and secretion by both soluble and fibrillar collagen. Blockage of amino groups by 3) abolished aggregation and secretion by both collagens. Esterified succinylated collagen 4) caused aggregation and secretion at relatively high collagen concentrations. These data support the theory that positive groups of collagen are important in platelet-collagen interaction. Images Figure 1 PMID:6881287

The Growing Importance of Linear Algebra in Undergraduate Mathematics.

ERIC Educational Resources Information Center

Tucker, Alan

1993-01-01

Discusses the theoretical and practical importance of linear algebra. Presents a brief history of linear algebra and matrix theory and describes the place of linear algebra in the undergraduate curriculum. (MDH)

Shear-induced reaction-limited aggregation kinetics of Brownian particles at arbitrary concentrations

NASA Astrophysics Data System (ADS)

Zaccone, Alessio; Gentili, Daniele; Wu, Hua; Morbidelli, Massimo

2010-04-01

The aggregation of interacting Brownian particles in sheared concentrated suspensions is an important issue in colloid and soft matter science per se. Also, it serves as a model to understand biochemical reactions occurring in vivo where both crowding and shear play an important role. We present an effective medium approach within the Smoluchowski equation with shear which allows one to calculate the encounter kinetics through a potential barrier under shear at arbitrary colloid concentrations. Experiments on a model colloidal system in simple shear flow support the validity of the model in the concentration range considered. By generalizing Kramers' rate theory to the presence of shear and collective hydrodynamics, our model explains the significant increase in the shear-induced reaction-limited aggregation kinetics upon increasing the colloid concentration.

In situ measurements of wind and current speed and relationship between output power and turbulence

NASA Astrophysics Data System (ADS)

Duran Medina, Olmo; Schmitt, François G.; Sentchev, Alexei; Calif, Rudy

2015-04-01

In a context of energy transition, wind and tidal energy are sources of clean energy with the potential of partially satisfying the growing demand. The main problem of this type of energy, and other types of renewable energy remains the discontinuity of the electric power produced in different scales, inducing large fluctuations also called intermittency. This intermittency of wind and tidal energy is inherent to the turbulent nature of wind and marine currents. We consider this intermittent power production in strong relation with the turbulent intermittency of the resource. The turbulence theory is multifractal energy cascades models, a classic in physics of turbulence. From earlier studies in atmospheric sciences, we learn that wind speed and the aggregate power output are intermittent and multifractal over a wide range of scales [Calif and Schmitt 2014]. We want to extend this study to a marine current turbine and compare the scaling properties for those renewable energy sources. We consider here coupling between simultaneous velocity time series and output power from a wind turbine and a marine current turbine. Wind turbine data were obtained from Denmark and marine current data from Western Scheldt, Belgium where a prototype of a vertical and horizontal marine current turbines are tested. After an estimation of their Fourier density power spectra, we study their scaling properties in Kolmogorov's theory and the framework of fully developed turbulence. Hence, we employ a Hilbert-based methodology, namely arbitrary-order Hilbert spectral analysis [Calif et al. 2013a, 2013b] to characterize the intermittent property of the wind and marine current velocity in order to characterize the intermittent nature of the fluid. This method is used in order to obtain the spectrum and the corresponding power law for non-linear and non-stationary time series. The goal is to study the non-linear transfer characteristics in a multi-scale and multi-intensity framework.

Cellulose Aggregation under Hydrothermal Pretreatment Conditions.

PubMed

Silveira, Rodrigo L; Stoyanov, Stanislav R; Kovalenko, Andriy; Skaf, Munir S

2016-08-08

Cellulose, the most abundant biopolymer on Earth, represents a resource for sustainable production of biofuels. Thermochemical treatments make lignocellulosic biomaterials more amenable to depolymerization by exposing cellulose microfibrils to enzymatic or chemical attacks. In such treatments, the solvent plays fundamental roles in biomass modification, but the molecular events underlying these changes are still poorly understood. Here, the 3D-RISM-KH molecular theory of solvation has been employed to analyze the role of water in cellulose aggregation under different thermodynamic conditions. The results show that, under ambient conditions, highly structured hydration shells around cellulose create repulsive forces that protect cellulose microfibrils from aggregating. Under hydrothermal pretreatment conditions, however, the hydration shells lose structure, and cellulose aggregation is favored. These effects are largely due to a decrease in cellulose-water interactions relative to those at ambient conditions, so that cellulose-cellulose attractive interactions become prevalent. Our results provide an explanation to the observed increase in the lateral size of cellulose crystallites when biomass is subject to pretreatments and deepen the current understanding of the mechanisms of biomass modification.

Predicting the mineral composition of dust aerosols: Insights from elemental composition measured at the Izaña Observatory

NASA Astrophysics Data System (ADS)

Pérez García-Pando, Carlos; Miller, Ron L.; Perlwitz, Jan P.; Rodríguez, Sergio; Prospero, Joseph M.

2016-10-01

Regional variations of dust mineral composition are fundamental to climate impacts but generally neglected in climate models. A challenge for models is that atlases of soil composition are derived from measurements following wet sieving, which destroys the aggregates potentially emitted from the soil. Aggregates are crucial to simulating the observed size distribution of emitted soil particles. We use an extension of brittle fragmentation theory in a global dust model to account for these aggregates. Our method reproduces the size-resolved dust concentration along with the approximately size-invariant fractional abundance of elements like Fe and Al in the decade-long aerosol record from the Izaña Observatory, off the coast of West Africa. By distinguishing between Fe in structural and free forms, we can attribute improved model behavior to aggregation of Fe and Al-rich clay particles. We also demonstrate the importance of size-resolved measurements along with elemental composition analysis to constrain models.

Unification theory of optimal life histories and linear demographic models in internal stochasticity.

PubMed

Oizumi, Ryo

2014-01-01

Life history of organisms is exposed to uncertainty generated by internal and external stochasticities. Internal stochasticity is generated by the randomness in each individual life history, such as randomness in food intake, genetic character and size growth rate, whereas external stochasticity is due to the environment. For instance, it is known that the external stochasticity tends to affect population growth rate negatively. It has been shown in a recent theoretical study using path-integral formulation in structured linear demographic models that internal stochasticity can affect population growth rate positively or negatively. However, internal stochasticity has not been the main subject of researches. Taking account of effect of internal stochasticity on the population growth rate, the fittest organism has the optimal control of life history affected by the stochasticity in the habitat. The study of this control is known as the optimal life schedule problems. In order to analyze the optimal control under internal stochasticity, we need to make use of "Stochastic Control Theory" in the optimal life schedule problem. There is, however, no such kind of theory unifying optimal life history and internal stochasticity. This study focuses on an extension of optimal life schedule problems to unify control theory of internal stochasticity into linear demographic models. First, we show the relationship between the general age-states linear demographic models and the stochastic control theory via several mathematical formulations, such as path-integral, integral equation, and transition matrix. Secondly, we apply our theory to a two-resource utilization model for two different breeding systems: semelparity and iteroparity. Finally, we show that the diversity of resources is important for species in a case. Our study shows that this unification theory can address risk hedges of life history in general age-states linear demographic models.

Modules as Learning Tools in Linear Algebra

ERIC Educational Resources Information Center

Cooley, Laurel; Vidakovic, Draga; Martin, William O.; Dexter, Scott; Suzuki, Jeff; Loch, Sergio

2014-01-01

This paper reports on the experience of STEM and mathematics faculty at four different institutions working collaboratively to integrate learning theory with curriculum development in a core undergraduate linear algebra context. The faculty formed a Professional Learning Community (PLC) with a focus on learning theories in mathematics and…

Calculation of the distributed loads on the blades of individual multiblade propellers in axial flow using linear and nonlinear lifting surface theories

NASA Technical Reports Server (NTRS)

Pesetskaya, N. N.; Timofeev, I. YA.; Shipilov, S. D.

1988-01-01

In recent years much attention has been given to the development of methods and programs for the calculation of the aerodynamic characteristics of multiblade, saber-shaped air propellers. Most existing methods are based on the theory of lifting lines. Elsewhere, the theory of a lifting surface is used to calculate screw and lifting propellers. In this work, methods of discrete eddies are described for the calculation of the aerodynamic characteristics of propellers using the linear and nonlinear theories of lifting surfaces.

A quantum description of linear, and non-linear optical interactions in arrays of plasmonic nanoparticles

NASA Astrophysics Data System (ADS)

Arabahmadi, Ehsan; Ahmadi, Zabihollah; Rashidian, Bizhan

2018-06-01

A quantum theory for describing the interaction of photons and plasmons, in one- and two-dimensional arrays is presented. Ohmic losses and inter-band transitions are not considered. We use macroscopic approach, and quantum field theory methods including S-matrix expansion, and Feynman diagrams for this purpose. Non-linear interactions are also studied, and increasing the probability of such interactions, and its application are also discussed.

Measurement of whole blood of different mammalian species in the oscillating shear field: influence of erythrocyte aggregation

NASA Astrophysics Data System (ADS)

Windberger, U.; Pöschl, Ch; Peters, S.; Huber, J.; van den Hoven, R.

2017-01-01

This is the first systematic analysis of mammalian blood of species with a high (horse), medium (man), and low (sheep) erythrocyte (RBC) aggregability by small amplitude oscillation technique. Amplitude and frequency sweep tests (linear viscoelastic mode) were performed with blood from healthy adult volunteers, horses, and sheep in CSS-mode. Blood samples were hematocrit (HCT) adjusted (40%, 50%, 60%) and tested at 7°C, 22°C, and 37°C. Generally, storage modulus (G´) increased with HCT and decreased with temperature in each species, but the gradient of this increase was species-specific. The lower dependency of G´ on the equine HCT value could be a benefit during physical performance when high numbers of RBCs are released from the spleen. In sheep, an HCT-threshold had to be overcome before the desired quasi-static condition of the blood sample could be achieved, suggesting that the contact between RBCs, and between RBCs and plasma molecules must be very low. The frequencies for tests under linear viscoelastic condition were in a narrow range around the physiologic heart rate of the species. In horse, time-dependent influences concurred at frequencies lower than 3 rad.s-1probably due to sedimentation of RBC aggregates. In conclusion, blood is a fragile suspension that shows its best stability around the resting heart rate of the species.

Excited state absorption spectra of dissolved and aggregated distyrylbenzene: A TD-DFT state and vibronic analysis

NASA Astrophysics Data System (ADS)

Oliveira, Eliezer Fernando; Shi, Junqing; Lavarda, Francisco Carlos; Lüer, Larry; Milián-Medina, Begoña; Gierschner, Johannes

2017-07-01

A time-dependent density functional theory study is performed to reveal the excited state absorption (ESA) features of distyrylbenzene (DSB), a prototype π-conjugated organic oligomer. Starting with a didactic insight to ESA based on simple molecular orbital and configuration considerations, the performance of various density functional theory functionals is tested to reveal the full vibronic ESA features of DSB at short and long probe delay times.

Applying critical theories to nursing in communities.

PubMed

Stevens, P E; Hall, J M

1992-03-01

Public health realities in the United States indicate that unsafe physical surroundings, oppressive social arrangements, economic impoverishment, and political disenfranchisement threaten the safety and well-being of countless aggregates. To affect change in health-damaging conditions, nurses are urged to join with vulnerable groups, working together to expose oppressive situations and take action. As a guide for such emancipatory practice, the use of critical theories as the conceptual basis for community health nursing is advocated.

Correlation, evaluation, and extension of linearized theories for tire motion and wheel shimmy

NASA Technical Reports Server (NTRS)

Smiley, Robert F

1957-01-01

An evaluation is made of the existing theories of a linearized tire motion and wheel shimmy. It is demonstrated that most of the previously published theories represent varying degrees of approximation to a summary theory developed in this report which is a minor modification of the basic theory of Von Schlippe and Dietrich. In most cases where strong differences exist between the previously published theories and summary theory, the previously published theories are shown to possess certain deficiencies. A series of systematic approximations to the summary theory is developed for the treatment of problems too simple to merit the use of the complete summary theory, and procedures are discussed for applying the summary theory and its systematic approximations to the shimmy of more complex landing-gear structures than have previously been considered. Comparisons of the existing experimental data with the predictions of the summary theory and the systematic approximations provide a fair substantiation of the more detailed approximate theories.

Fractional representation theory - Robustness results with applications to finite dimensional control of a class of linear distributed systems

NASA Technical Reports Server (NTRS)

Nett, C. N.; Jacobson, C. A.; Balas, M. J.

1983-01-01

This paper reviews and extends the fractional representation theory. In particular, new and powerful robustness results are presented. This new theory is utilized to develop a preliminary design methodology for finite dimensional control of a class of linear evolution equations on a Banach space. The design is for stability in an input-output sense, but particular attention is paid to internal stability as well.

When is quasi-linear theory exact. [particle acceleration

NASA Technical Reports Server (NTRS)

Jones, F. C.; Birmingham, T. J.

1975-01-01

We use the cumulant expansion technique of Kubo (1962, 1963) to derive an integrodifferential equation for the average one-particle distribution function for particles being accelerated by electric and magnetic fluctuations of a general nature. For a very restricted class of fluctuations, the equation for this function degenerates exactly to a differential equation of Fokker-Planck type. Quasi-linear theory, including the adiabatic assumption, is an exact theory only for this limited class of fluctuations.

A Thermodynamic Theory Of Solid Viscoelasticity. Part 1: Linear Viscoelasticity.

NASA Technical Reports Server (NTRS)

Freed, Alan D.; Leonov, Arkady I.

2002-01-01

The present series of three consecutive papers develops a general theory for linear and finite solid viscoelasticity. Because the most important object for nonlinear studies are rubber-like materials, the general approach is specified in a form convenient for solving problems important for many industries that involve rubber-like materials. General linear and nonlinear theories for non-isothermal deformations of viscoelastic solids are developed based on the quasi-linear approach of non-equilibrium thermodynamics. In this, the first paper of the series, we analyze non-isothermal linear viscoelasticity, which is applicable in a range of small strains not only to all synthetic polymers and bio-polymers but also to some non-polymeric materials. Although the linear case seems to be well developed, there still are some reasons to implement a thermodynamic derivation of constitutive equations for solid-like, non-isothermal, linear viscoelasticity. The most important is the thermodynamic modeling of thermo-rheological complexity , i.e. different temperature dependences of relaxation parameters in various parts of relaxation spectrum. A special structure of interaction matrices is established for different physical mechanisms contributed to the normal relaxation modes. This structure seems to be in accord with observations, and creates a simple mathematical framework for both continuum and molecular theories of the thermo-rheological complex relaxation phenomena. Finally, a unified approach is briefly discussed that, in principle, allows combining both the long time (discrete) and short time (continuous) descriptions of relaxation behaviors for polymers in the rubbery and glassy regions.

Spectral studies on the interaction of pinacyanol chloride with binary surfactants in aqueous medium.

PubMed

Manna, Kausik; Panda, Amiya Kumar

2009-12-01

Interaction of pinacyanol chloride (PIN) with pure and binary mixtures of cetyltrimethylammonium bromide (CTAB) and sodium deoxycholate (NaDC) was spectroscopically studied. Interaction of PIN with pure NaDC produced a blue shifted metachromatic band (at approximately 502 nm), which gradually shifted to higher wavelength region as the concentration of NaDC increased in the pre-micellar stage. For CTAB only intensity of both the bands increased without any shift. Mixed surfactant systems behaved differently than the pure components. Absorbance of monomeric band with a slight red-shift, and a simultaneous decrease in the absorbance of dimeric band of PIN, were observed for all the combinations in the post-micellar region. PIN-micelle binding constant (K(b)) for pure as well as mixed was determined from spectral data using Benesi-Hildebrand equation. Using the idea of Regular Solution Theory, micellar aggregates were assumed to be predominant than other aggregated state, like vesicles. Aggregation number was determined by fluorescence quenching method. Spectral analyses were also done to evaluate CMC values. Rubinigh's model for Regular Solution Theory was employed to evaluate the interaction parameters and micellar composition. Strong synergistic interaction between the oppositely charged surfactants was noted. Bulkier nature of NaDC lowered down its access in mixed micellar system.

Linear dependence between the wavefront gradient and the masked intensity for the point source with a CCD sensor

NASA Astrophysics Data System (ADS)

Yang, Huizhen; Ma, Liang; Wang, Bin

2018-01-01

In contrast to the conventional adaptive optics (AO) system, the wavefront sensorless (WFSless) AO system doesn't need a WFS to measure the wavefront aberrations. It is simpler than the conventional AO in system architecture and can be applied to the complex conditions. The model-based WFSless system has a great potential in real-time correction applications because of its fast convergence. The control algorithm of the model-based WFSless system is based on an important theory result that is the linear relation between the Mean-Square Gradient (MSG) magnitude of the wavefront aberration and the second moment of the masked intensity distribution in the focal plane (also called as Masked Detector Signal-MDS). The linear dependence between MSG and MDS for the point source imaging with a CCD sensor will be discussed from theory and simulation in this paper. The theory relationship between MSG and MDS is given based on our previous work. To verify the linear relation for the point source, we set up an imaging model under atmospheric turbulence. Additionally, the value of MDS will be deviate from that of theory because of the noise of detector and further the deviation will affect the correction effect. The theory results under noise will be obtained through theoretical derivation and then the linear relation between MDS and MDS under noise will be discussed through the imaging model. Results show the linear relation between MDS and MDS under noise is also maintained well, which provides a theoretical support to applications of the model-based WFSless system.

The "Chaos" Pattern in Piaget's Theory of Cognitive Development.

ERIC Educational Resources Information Center

Lindsay, Jean S.

Piaget's theory of the cognitive development of the child is related to the recently developed non-linear "chaos" model. The term "chaos" refers to the tendency of dynamical, non-linear systems toward irregular, sometimes unpredictable, deterministic behavior. Piaget identified this same pattern in his model of cognitive…

Are All Non-Linear Systems (Approx.) Bilinear,

DTIC Science & Technology

1977-06-01

There is a rumor going around in mathematical system theory circles that all non-linear systems are bilinear or nearly so. This note examines the...case for such an assertion and finds it wanting and en passant, offers some comments on the current proliferation of mathematical literature on system theory .

Linear kinetic theory and particle transport in stochastic mixtures

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

Pomraning, G.C.

We consider the formulation of linear transport and kinetic theory describing energy and particle flow in a random mixture of two or more immiscible materials. Following an introduction, we summarize early and fundamental work in this area, and we conclude with a brief discussion of recent results.

Aggregate breakdown of nanoparticulate titania

NASA Astrophysics Data System (ADS)

Venugopal, Navin

Six nanosized titanium dioxide powders synthesized from a sulfate process were investigated. The targeted end-use of this powder was for a de-NOx catalyst honeycomb monolith. Alteration of synthesis parameters had resulted principally in differences in soluble ion level and specific surface area of the powders. The goal of this investigation was to understand the role of synthesis parameters in the aggregation behavior of these powders. Investigation via scanning electron microscopy of the powders revealed three different aggregation iterations at specific length scales. Secondary and higher order aggregate strength was investigated via oscillatory stress rheometry as a means of simulating shear conditions encountered during extrusion. G' and G'' were measured as a function of the applied oscillatory stress. Oscillatory rheometry indicated a strong variation as a function of the sulfate level of the particles in the viscoelastic yield strengths. Powder yield stresses ranged from 3.0 Pa to 24.0 Pa of oscillatory stress. Compaction curves to 750 MPa found strong similarities in extrapolated yield point of stage I and II compaction for each of the powders (at approximately 500 MPa) suggesting that the variation in sulfate was greatest above the primary aggregate level. Scanning electron microscopy of samples at different states of shear in oscillatory rheometry confirmed the variation in the linear elastic region and the viscous flow regime. A technique of this investigation was to approach aggregation via a novel perspective: aggregates are distinguished as being loose open structures that are highly disordered and stochastic in nature. The methodology used was to investigate the shear stresses required to rupture the various aggregation stages encountered and investigate the attempt to realign the now free-flowing constituents comprising the aggregate into a denser configuration. Mercury porosimetry was utilized to measure the pore size of the compact resulting from compaction via dry pressing and tape casting secondary scale aggregates. Mercury porosimetry of tapes cast at 0.85 and 9.09 cm/sec exhibited pore sizes ranging from 200-500 nm suggesting packing of intact micron-sized primary aggregates. Porosimetry further showed that this peak was absent in pressed pellets corroborating arguments of ruptured primary aggregates during compaction to 750 MPa.

The influence of coarse aggregate size and volume on the fracture behavior and brittleness of self-compacting concrete

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

Beygi, Morteza H.A., E-mail: M.beygi@nit.ac.ir; Kazemi, Mohammad Taghi, E-mail: Kazemi@sharif.edu; Nikbin, Iman M., E-mail: nikbin@iaurasht.ac.ir

2014-12-15

This paper presents the results of an experimental investigation on fracture characteristics and brittleness of self-compacting concrete (SCC), involving the tests of 185 three point bending beams with different coarse aggregate size and content. Generally, the parameters were analyzed by the work of fracture method (WFM) and the size effect method (SEM). The results showed that with increase of size and content of coarse aggregate, (a) the fracture energy increases which is due to the change in fractal dimensions, (b) behavior of SCC beams approaches strength criterion, (c) characteristic length, which is deemed as an index of brittleness, increases linearly.more » It was found with decrease of w/c ratio that fracture energy increases which may be explained by the improvement in structure of aggregate-paste transition zone. Also, the results showed that there is a correlation between the fracture energy measured by WFM (G{sub F}) and the value measured through SEM (G{sub f}) (G{sub F} = 3.11G{sub f})« less

Biochar Improves Soil Aggregate Stability and Water Availability in a Mollisol after Three Years of Field Application

PubMed Central

Zhang, Yulan; Yang, Lijie; Yu, Chunxiao; Yin, Guanghua; Doane, Timothy A.; Wu, Zhijie; Zhu, Ping; Ma, Xingzhu

2016-01-01

A field experiment was carried out to evaluate the effect of organic amendments on soil organic carbon, total nitrogen, bulk density, aggregate stability, field capacity and plant available water in a representative Chinese Mollisol. Four treatments were as follows: no fertilization (CK), application of inorganic fertilizer (NPK), combined application of inorganic fertilizer with maize straw (NPK+S) and addition of biochar with inorganic fertilizer (NPK+B). Our results showed that after three consecutive years of application, the values of soil bulk density were significantly lower in both organic amendment-treated plots than in unamended (CK and NPK) plots. Compared with NPK, NPK+B more effectively increased the contents of soil organic carbon, improved the relative proportion of soil macro-aggregates and mean weight diameter, and enhanced field capacity as well as plant available water. Organic amendments had no obvious effect on soil C/N ratio or wilting coefficient. The results of linear regression indicated that the improvement in soil water retention could be attributed to the increases in soil organic carbon and aggregate stability. PMID:27191160

Biochar Improves Soil Aggregate Stability and Water Availability in a Mollisol after Three Years of Field Application.

PubMed

Ma, Ningning; Zhang, Lili; Zhang, Yulan; Yang, Lijie; Yu, Chunxiao; Yin, Guanghua; Doane, Timothy A; Wu, Zhijie; Zhu, Ping; Ma, Xingzhu

2016-01-01

A field experiment was carried out to evaluate the effect of organic amendments on soil organic carbon, total nitrogen, bulk density, aggregate stability, field capacity and plant available water in a representative Chinese Mollisol. Four treatments were as follows: no fertilization (CK), application of inorganic fertilizer (NPK), combined application of inorganic fertilizer with maize straw (NPK+S) and addition of biochar with inorganic fertilizer (NPK+B). Our results showed that after three consecutive years of application, the values of soil bulk density were significantly lower in both organic amendment-treated plots than in unamended (CK and NPK) plots. Compared with NPK, NPK+B more effectively increased the contents of soil organic carbon, improved the relative proportion of soil macro-aggregates and mean weight diameter, and enhanced field capacity as well as plant available water. Organic amendments had no obvious effect on soil C/N ratio or wilting coefficient. The results of linear regression indicated that the improvement in soil water retention could be attributed to the increases in soil organic carbon and aggregate stability.

Separation and quantification of monoclonal-antibody aggregates by hollow-fiber-flow field-flow fractionation.

PubMed

Fukuda, Jun; Iwura, Takafumi; Yanagihara, Shigehiro; Kano, Kenji

2014-10-01

Hollow-fiber-flow field-flow fractionation (HF5) separates protein molecules on the basis of the difference in the diffusion coefficient, and can evaluate the aggregation ratio of proteins. However, HF5 is still a minor technique because information on the separation conditions is limited. We examined in detail the effect of different settings, including the main-flow rate, the cross-flow rate, the focus point, the injection amount, and the ionic strength of the mobile phase, on fractographic characteristics. On the basis of the results, we proposed optimized conditions of the HF5 method for quantification of monoclonal antibody in sample solutions. The HF5 method was qualified regarding the precision, accuracy, linearity of the main peak, and quantitation limit. In addition, the HF5 method was applied to non-heated Mab A and heat-induced-antibody-aggregate-containing samples to evaluate the aggregation ratio and the distribution extent. The separation performance was comparable with or better than that of conventional methods including analytical ultracentrifugation-sedimentation velocity and asymmetric-flow field-flow fractionation.

Nature of the optical band shapes in polymethine dyes and H-aggregates: dozy chaos and excitons. Comparison with dimers, H*- and J-aggregates.

PubMed

Egorov, Vladimir V

2017-05-01

Results on the theoretical explanation of the shape of optical bands in polymethine dyes, their dimers and aggregates are summarized. The theoretical dependence of the shape of optical bands for the dye monomers in the vinylogous series in line with a change in the solvent polarity is considered. A simple physical (analytical) model of the shape of optical absorption bands in H-aggregates of polymethine dyes is developed based on taking the dozy-chaos dynamics of the transient state and the Frenkel exciton effect in the theory of molecular quantum transitions into account. As an example, the details of the experimental shape of one of the known H-bands are well reproduced by this analytical model under the assumption that the main optical chromophore of H-aggregates is a tetramer resulting from the two most probable processes of inelastic binary collisions in sequence: first, monomers between themselves, and then, between the resulting dimers. The obtained results indicate that in contrast with the compact structure of J-aggregates (brickwork structure), the structure of H-aggregates is not the compact pack-of-cards structure, as stated in the literature, but a loose alternate structure. Based on this theoretical model, a simple general (analytical) method for treating the more complex shapes of optical bands in polymethine dyes in comparison with the H-band under consideration is proposed. This method mirrors the physical process of molecular aggregates forming in liquid solutions: aggregates are generated in the most probable processes of inelastic multiple binary collisions between polymethine species generally differing in complexity. The results obtained are given against a background of the theoretical results on the shape of optical bands in polymethine dyes and their aggregates (dimers, H*- and J-aggregates) previously obtained by V.V.E.

Nature of the optical band shapes in polymethine dyes and H-aggregates: dozy chaos and excitons. Comparison with dimers, H*- and J-aggregates

PubMed Central

2017-01-01

Results on the theoretical explanation of the shape of optical bands in polymethine dyes, their dimers and aggregates are summarized. The theoretical dependence of the shape of optical bands for the dye monomers in the vinylogous series in line with a change in the solvent polarity is considered. A simple physical (analytical) model of the shape of optical absorption bands in H-aggregates of polymethine dyes is developed based on taking the dozy-chaos dynamics of the transient state and the Frenkel exciton effect in the theory of molecular quantum transitions into account. As an example, the details of the experimental shape of one of the known H-bands are well reproduced by this analytical model under the assumption that the main optical chromophore of H-aggregates is a tetramer resulting from the two most probable processes of inelastic binary collisions in sequence: first, monomers between themselves, and then, between the resulting dimers. The obtained results indicate that in contrast with the compact structure of J-aggregates (brickwork structure), the structure of H-aggregates is not the compact pack-of-cards structure, as stated in the literature, but a loose alternate structure. Based on this theoretical model, a simple general (analytical) method for treating the more complex shapes of optical bands in polymethine dyes in comparison with the H-band under consideration is proposed. This method mirrors the physical process of molecular aggregates forming in liquid solutions: aggregates are generated in the most probable processes of inelastic multiple binary collisions between polymethine species generally differing in complexity. The results obtained are given against a background of the theoretical results on the shape of optical bands in polymethine dyes and their aggregates (dimers, H*- and J-aggregates) previously obtained by V.V.E. PMID:28572984

Nature of the optical band shapes in polymethine dyes and H-aggregates: dozy chaos and excitons. Comparison with dimers, H*- and J-aggregates

NASA Astrophysics Data System (ADS)

Egorov, Vladimir V.

2017-05-01

Results on the theoretical explanation of the shape of optical bands in polymethine dyes, their dimers and aggregates are summarized. The theoretical dependence of the shape of optical bands for the dye monomers in the vinylogous series in line with a change in the solvent polarity is considered. A simple physical (analytical) model of the shape of optical absorption bands in H-aggregates of polymethine dyes is developed based on taking the dozy-chaos dynamics of the transient state and the Frenkel exciton effect in the theory of molecular quantum transitions into account. As an example, the details of the experimental shape of one of the known H-bands are well reproduced by this analytical model under the assumption that the main optical chromophore of H-aggregates is a tetramer resulting from the two most probable processes of inelastic binary collisions in sequence: first, monomers between themselves, and then, between the resulting dimers. The obtained results indicate that in contrast with the compact structure of J-aggregates (brickwork structure), the structure of H-aggregates is not the compact pack-of-cards structure, as stated in the literature, but a loose alternate structure. Based on this theoretical model, a simple general (analytical) method for treating the more complex shapes of optical bands in polymethine dyes in comparison with the H-band under consideration is proposed. This method mirrors the physical process of molecular aggregates forming in liquid solutions: aggregates are generated in the most probable processes of inelastic multiple binary collisions between polymethine species generally differing in complexity. The results obtained are given against a background of the theoretical results on the shape of optical bands in polymethine dyes and their aggregates (dimers, H*- and J-aggregates) previously obtained by V.V.E.

Fluorescent J-aggregates of core-substituted perylene bisimides: studies on structure-property relationship, nucleation-elongation mechanism, and sergeants-and-soldiers principle.

PubMed

Kaiser, Theo E; Stepanenko, Vladimir; Würthner, Frank

2009-05-20

A series of highly soluble and fluorescent, at core tetraaryloxy-substituted and in imide positions hydrogen atom containing perylene bisimide (PBI) dyes 1a-e with varying peripheral side chains have been synthesized and thoroughly characterized. The self-assembly of these PBIs has been studied in detail by UV/vis, linear dichroism (LD) and circular dichroism (CD) spectroscopy, and scanning probe microscopy (AFM, STM). These studies revealed that the present PBIs self-assemble into extended double string cables, which consist of two hydrogen-bonded supramolecular polymeric chains of densely packed and strongly excitonically coupled PBI chromophores, providing highly fluorescent J-aggregates. The aggregation strength ("melting" temperature) and the fluorescence properties of these J-aggregates are dependent on the number and chain length of the peripheral alkoxy substituents, thus revealing a structure-property relationship. In contrast to previously reported assemblies of PBIs, for which the aggregation process is described by the isodesmic (or equal K) model, a cooperative nucleation-elongation mechanism applies for the aggregation of the present assemblies as revealed by concentration-dependent UV/vis absorption studies with the chiral PBI 1e, providing equilibrium constants for dimerization (= nucleation) of K(2) = 13 +/- 11 L mol(-1) and for elongation of K = 2.3 +/- 0.1 x 10(6) L mol(-1) in methylcyclohexane (MCH). LD spectroscopic measurements have been performed to analyze the orientation of the monomers within the aggregates. The nonlinearity of chiral amplification in PBI aggregates directed by sergeants-and-soldiers principle has been elucidated by coaggregation experiments of different PBI dyes using CD spectroscopy. The dimensions as well as the molecular arrangement of the monomeric units in assemblies have been explored by atomic force microscopy (AFM) and scanning tunneling microscopy (STM).

A Novel Variant in the Platelet Endothelial Aggregation Receptor-1 Gene is Associated with Increased Platelet Aggregabili

PubMed Central

Herrera-Galeano, J. Enrique; Becker, Diane M.; Wilson, Alexander F.; Yanek, Lisa R.; Bray, Paul; Vaidya, Dhananjay; Faraday, Nauder; Becker, Lewis C

2009-01-01

Objective: Platelet endothelial aggregation receptor-1 (PEAR1) is a recently identified platelet transmembrane protein that becomes activated by platelet contact. We looked for novel genetic variants in PEAR1 and studied their association with agonist-induced native platelet aggregation and with aspirin's inhibitory effect on platelets. Methods and Results: We genotyped PEAR1 for 10 single nucleotide polymorphisms (SNPs), selected for optimal gene coverage at a density of 4kb, in 1486 apparently healthy individuals from two generations of families with premature CAD. Subjects had a mean age of 45 years; 62% were white and 38% African American. Platelet aggregation to collagen, epinephrine, and ADP was measured in platelet rich plasma, at baseline and after 2 weeks of aspirin (ASA, 81 mg/day), and genotype-phenotype associations were examined separately by ethnicity using multivariable generalized linear models adjusted for covariates. The C allele of SNP rs2768759 [A/C], located in the promoter region of the gene, was common in whites and uncommon in African Americans (allele frequency 70.2% vs 17.7%). The C allele was generally associated in both ethnic groups with increased aggregation of native platelets to each agonist. Following ASA, the associations were stronger and more consistent, and remained significant when post ASA aggregation was adjusted for baseline aggregation, consistent with a relationship between the C allele and reduced platelet responsiveness to ASA. The PEAR1 SNP explained up to 6.9% of the locus specific genetic variance in African Americans and up to 2.5% of the genetic variance in whites following ASA. Conclusion: PEAR1 appears to play an important role in agonist-induced platelet aggregation and in the response to ASA in both whites and African Americans. PMID:18511696

Effect of particulate aggregation in aquatic environments on the beam attenuation and its utility as a proxy for particulate mass.

PubMed

Boss, Emmanuel; Slade, Wayne; Hill, Paul

2009-05-25

Marine aggregates, agglomerations of particles and dissolved materials, are an important particulate pool in aquatic environments, but their optical properties are not well understood. To improve understanding of the optical properties of aggregates, two related studies are presented. In the first, an in situ manipulation experiment is described, in which beam attenuation of undisturbed and sheared suspensions are compared. Results show that in the sheared treatment bulk particle size decreases and beam attenuation increases, consistent with the hypothesis that a significant fraction of mass in suspension is contained in fragile aggregates. Interestingly, the magnitude of increase in beam attenuation is less than expected if the aggregates are modeled as solid spheres. Motivated by this result, a second study is presented, in which marine aggregates are modeled to assess how the beam attenuation of aggregates differs from that of their constituent particles and from solid particles of the same mass. The model used is based on that of Latimer [Appl. Opt. 24, 3231 (1985)] and mass specific attenuation is compared with that based on homogeneous and solid particles, the standard model for aquatic particles. In the modeling we use recent research relating size and solid fraction of aquatic aggregates. In contrast with Mie theory, this model provides a rather size-insensitive mass specific attenuation for most relevant sizes. This insensitivity is consistent with the observations that mass specific beam-attenuation of marine particles is in the range 0.2-0.6m(2)/gr despite large variability in size distribution and composition across varied aquatic environments.

Rigid aggregates: theory and applications

NASA Astrophysics Data System (ADS)

Richardson, D. C.

2005-08-01

Numerical models employing ``perfect'' self-gravitating rubble piles that consist of monodisperse rigid spheres with configurable contact dissipation have been used to explore collisional and rotational disruption of gravitational aggregates. Applications of these simple models include numerical simulations of planetesimal evolution, asteroid family formation, tidal disruption, and binary asteroid formation. These studies may be limited by the idealized nature of the rubble pile model, since perfect identical spheres stack and shear in a very specific, possibly over-idealized way. To investigate how constituent properties affect the overall characteristics of a gravitational aggregate, particularly its failure modes, we have generalized our numerical code to model colliding, self-gravitating, rigid aggregates made up of variable-size spheres. Euler's equation of rigid-body motion in the presence of external torques are implemented, along with a self-consistent prescription for handling non-central impacts. Simple rules for sticking and breaking are also included. Preliminary results will be presented showing the failure modes of gravitational aggregates made up of smaller, rigid, non-idealized components. Applications of this new capability include more realistic aggregate models, convenient modeling of arbitrary rigid shapes for studies of the stability of orbiting companions (replacing one or both bodies with rigid aggregates eliminates expensive interparticle collisions while preserving the shape, spin, and gravity field of the bodies), and sticky particle aggregation in dense planetary rings. This material is based upon work supported by the National Aeronautics and Space Administration under Grant No. NAG511722 issued through the Office of Space Science and by the National Science Foundation under Grant No. AST0307549.

A High Affinity Red Fluorescence and Colorimetric Probe for Amyloid β Aggregates

NASA Astrophysics Data System (ADS)

Rajasekhar, K.; Narayanaswamy, Nagarjun; Murugan, N. Arul; Kuang, Guanglin; Ågren, Hans; Govindaraju, T.

2016-04-01

A major challenge in the Alzheimer’s disease (AD) is its timely diagnosis. Amyloid β (Aβ) aggregates have been proposed as the most viable biomarker for the diagnosis of AD. Here, we demonstrate hemicyanine-based benzothiazole-coumarin (TC) as a potential probe for the detection of highly toxic Aβ42 aggregates through switch-on, enhanced (~30 fold) red fluorescence (Emax = 654 nm) and characteristic colorimetric (light red to purple) optical outputs. Interestingly, TC exhibits selectivity towards Aβ42 fibrils compared to other abnormal protein aggregates. TC probe show nanomolar binding affinity (Ka = 1.72 × 107 M-1) towards Aβ42 aggregates and also displace ThT bound to Aβ42 fibrils due to its high binding affinity. The Aβ42 fibril-specific red-shift in the absorption spectra of TC responsible for the observed colorimetric optical output has been attributed to micro-environment change around the probe from hydrophilic-like to hydrophobic-like nature. The binding site, binding energy and changes in optical properties observed for TC upon interaction with Aβ42 fibrils have been further validated by molecular docking and time dependent density functional theory studies.

The self-association of acebutolol: Conductometry and light scattering

NASA Astrophysics Data System (ADS)

Ruso, Juan M.; López-Fontán, José L.; Prieto, Gerardo; Sarmiento, Félix

2003-04-01

The association characteristics of an amphiphilic beta-blocker drug, acebutolol hydrochloride, in aqueous solution containing high concentrations of electrolyte and at different temperatures have been examined by static and dynamic light scattering and electrical conductivity. Time averaged light scattering measurements on aqueous solutions of acebutolol at 298.15 K in the presence of added electrolyte (0.4-1.0 mol kg-1 NaCl) have shown discontinuities which reflect the appearance of aggregates. The critical micelle concentration, aggregation numbers, effective micelle charges, and degree of micellar ionization were calculated. Dynamic light scattering has shown an increase in micellar size with increase in concentration of added electrolyte. Data have been interpreted using the DLVO theory to quantify the interaction between the drug aggregates and the colloidal stability. Critical micelle concentrations in water have been calculated from conductivity measurements over the temperature range 288.15-313.15 K. The variation in critical concentration with temperature passes through a minimum close to 294 K. Thermodynamic parameters of aggregate formation (ΔGm0,ΔHm0,ΔSm0) were obtained from a variation of the mass action model applicable to systems of low aggregation number.

Resource Theory of Superposition

NASA Astrophysics Data System (ADS)

Theurer, T.; Killoran, N.; Egloff, D.; Plenio, M. B.

2017-12-01

The superposition principle lies at the heart of many nonclassical properties of quantum mechanics. Motivated by this, we introduce a rigorous resource theory framework for the quantification of superposition of a finite number of linear independent states. This theory is a generalization of resource theories of coherence. We determine the general structure of operations which do not create superposition, find a fundamental connection to unambiguous state discrimination, and propose several quantitative superposition measures. Using this theory, we show that trace decreasing operations can be completed for free which, when specialized to the theory of coherence, resolves an outstanding open question and is used to address the free probabilistic transformation between pure states. Finally, we prove that linearly independent superposition is a necessary and sufficient condition for the faithful creation of entanglement in discrete settings, establishing a strong structural connection between our theory of superposition and entanglement theory.

How do aggregated patient-reported outcome measures data stimulate health care improvement? A realist synthesis

PubMed Central

Dalkin, Sonia; Gibbons, Elizabeth; Wright, Judy; Valderas, Jose Maria; Meads, David; Black, Nick

2017-01-01

Objectives Internationally, there has been considerable debate about the role of data in supporting quality improvement in health care. Our objective was to understand how, why and in what circumstances the feedback of aggregated patient-reported outcome measures data improved patient care. Methods We conducted a realist synthesis. We identified three main programme theories underlying the use of patient-reported outcome measures as a quality improvement strategy and expressed them as nine ‘if then’ propositions. We identified international evidence to test these propositions through searches of electronic databases and citation tracking, and supplemented our synthesis with evidence from similar forms of performance data. We synthesized this evidence through comparing the mechanisms and impact of patient-reported outcome measures and other performance data on quality improvement in different contexts. Results Three programme theories were identified: supporting patient choice, improving accountability and enabling providers to compare their performance with others. Relevant contextual factors were extent of public disclosure, use of financial incentives, perceived credibility of the data and the practicality of the results. Available evidence suggests that patients or their agents rarely use any published performance data when selecting a provider. The perceived motivation behind public reporting is an important determinant of how providers respond. When clinicians perceived that performance indicators were not credible but were incentivized to collect them, gaming or manipulation of data occurred. Outcome data do not provide information on the cause of poor care: providers needed to integrate and interpret patient-reported outcome measures and other outcome data in the context of other data. Lack of timeliness of performance data constrains their impact. Conclusions Although there is only limited research evidence to support some widely held theories of how aggregated patient-reported outcome measures data stimulate quality improvement, several lessons emerge from interventions sharing the same programme theories to help guide the increasing use of these measures. PMID:29260592

Linear network representation of multistate models of transport.

PubMed Central

Sandblom, J; Ring, A; Eisenman, G

1982-01-01

By introducing external driving forces in rate-theory models of transport we show how the Eyring rate equations can be transformed into Ohm's law with potentials that obey Kirchhoff's second law. From such a formalism the state diagram of a multioccupancy multicomponent system can be directly converted into linear network with resistors connecting nodal (branch) points and with capacitances connecting each nodal point with a reference point. The external forces appear as emf or current generators in the network. This theory allows the algebraic methods of linear network theory to be used in solving the flux equations for multistate models and is particularly useful for making proper simplifying approximation in models of complex membrane structure. Some general properties of linear network representation are also deduced. It is shown, for instance, that Maxwell's reciprocity relationships of linear networks lead directly to Onsager's relationships in the near equilibrium region. Finally, as an example of the procedure, the equivalent circuit method is used to solve the equations for a few transport models. PMID:7093425

On some problems in a theory of thermally and mechanically interacting continuous media. Ph.D. Thesis; [linearized theory of interacting mixture of elastic solid and viscous fluid

NASA Technical Reports Server (NTRS)

Lee, Y. M.

1971-01-01

Using a linearized theory of thermally and mechanically interacting mixture of linear elastic solid and viscous fluid, we derive a fundamental relation in an integral form called a reciprocity relation. This reciprocity relation relates the solution of one initial-boundary value problem with a given set of initial and boundary data to the solution of a second initial-boundary value problem corresponding to a different initial and boundary data for a given interacting mixture. From this general integral relation, reciprocity relations are derived for a heat-conducting linear elastic solid, and for a heat-conducting viscous fluid. An initial-boundary value problem is posed and solved for the mixture of linear elastic solid and viscous fluid. With the aid of the Laplace transform and the contour integration, a real integral representation for the displacement of the solid constituent is obtained as one of the principal results of the analysis.

Hydrodynamic Effects in Soft-matter Self-assembly: The Case of J-Aggregates of Amphiphilic Porphyrins.

PubMed

Ribo, Josep M; El-Hachemi, Zoubir; Arteaga, Oriol; Canillas, Adolf; Crusats, Joaquim

2017-07-01

Chiral J-aggregates of achiral amphiphilic porphyrins (4-sulfonatophenyl and aryl meso-substituted porphyrins) show several effects under the hydrodynamic forces of common stirring. These effects can be classified as pure mechanic (e. g. elasticity, plasticity and breaking of the self-assembly non-covalent bonding) and chemically selective as detected in the formation/growth of the nanoparticles. Diastereoselective, enantioselective and, depending on the sign of chiral shear forces, even enantiospecific selections have been described. Some types of these effects have been reported in other type of J-aggregates. Reversible and irreversible structural effects have been studied by atomic force imaging. The determination of the optical polarization properties (linear and circular) of their solutions is best done using Mueller matrix polarimetry methods. © 2017 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Multiple impacts of dusty projectiles

NASA Astrophysics Data System (ADS)

Kothe, Stefan; Güttler, Carsten; Blum, Jurgen

In the context of early stages of planetesimal formation we performed laboratory and drop tower experiments to study multiple impacts of small dust-aggregate projectiles into solid sintered dust targets. Both collision partners consisted of 1.5 µm monodisperse spherical SiO2 monomers with volume filling factors of 0.15 (projectiles) and 0.35 (targets), respectively. The fragile projectiles were accelerated by a solenoid accelerator with a linear projectile magazine, which enabled us to perform 25 impacts within 4.5 s of microgravity time in the Bremen drop tower. We measured the mass-accretion efficiency for different impact velocities between 3 and 5 m s-1 , using an analytical balance and imaging methods. Furthermore, we observed random collisions among small dust aggregates with sizes around 1 mm and collision velocities of the order of 0.25 m s-1 and used them to improve the dust-aggregate collision model of Güttler et al. (2010). u

Quantifying the effects of social influence

PubMed Central

Mavrodiev, Pavlin; Tessone, Claudio J.; Schweitzer, Frank

2013-01-01

How do humans respond to indirect social influence when making decisions? We analysed an experiment where subjects had to guess the answer to factual questions, having only aggregated information about the answers of others. While the response of humans to aggregated information is a widely observed phenomenon, it has not been investigated quantitatively, in a controlled setting. We found that the adjustment of individual guesses depends linearly on the distance to the mean of all guesses. This is a remarkable, and yet surprisingly simple regularity. It holds across all questions analysed, even though the correct answers differ by several orders of magnitude. Our finding supports the assumption that individual diversity does not affect the response to indirect social influence. We argue that the nature of the response crucially changes with the level of information aggregation. This insight contributes to the empirical foundation of models for collective decisions under social influence. PMID:23449043

A novel alcohol dehydrogenase biosensor based on solid-state electrogenerated chemiluminescence by assembling dehydrogenase to Ru(bpy)(3)2+-Au nanoparticles aggregates.

PubMed

Zhang, Lihua; Xu, Zhiai; Sun, Xuping; Dong, Shaojun

2007-01-15

Based on electrogenerated chemiluminescence (ECL), a novel method for fabrication of alcohol dehydrogenase (ADH) biosensor by self-assembling ADH to Ru(bpy)(3)(2+)-AuNPs aggregates (Ru-AuNPs) on indium tin oxide (ITO) electrode surface has been developed. Positively charged Ru(bpy)(3)(2+) could be immobilized stably on the electrode surface with negatively charged AuNPs in the form of aggregate via electrostatic interaction. On the other hand, AuNPs are favourable candidates for the immobilization of enzymes because amine groups and cysteine residues in the enzymes are known to bind strongly with AuNPs. Moreover, AuNPs can act as tiny conduction centers to facilitate the transfer of electrons. Such biosensor combined enzymatic selectivity with the sensitivity of ECL detection for quantification of enzyme substrate, and it displayed wide linear range, high sensitivity and good stability.

Probability theory, not the very guide of life.

PubMed

Juslin, Peter; Nilsson, Håkan; Winman, Anders

2009-10-01

Probability theory has long been taken as the self-evident norm against which to evaluate inductive reasoning, and classical demonstrations of violations of this norm include the conjunction error and base-rate neglect. Many of these phenomena require multiplicative probability integration, whereas people seem more inclined to linear additive integration, in part, at least, because of well-known capacity constraints on controlled thought. In this article, the authors show with computer simulations that when based on approximate knowledge of probabilities, as is routinely the case in natural environments, linear additive integration can yield as accurate estimates, and as good average decision returns, as estimates based on probability theory. It is proposed that in natural environments people have little opportunity or incentive to induce the normative rules of probability theory and, given their cognitive constraints, linear additive integration may often offer superior bounded rationality.

Linear-response time-dependent density-functional theory with pairing fields.

PubMed

Peng, Degao; van Aggelen, Helen; Yang, Yang; Yang, Weitao

2014-05-14

Recent development in particle-particle random phase approximation (pp-RPA) broadens the perspective on ground state correlation energies [H. van Aggelen, Y. Yang, and W. Yang, Phys. Rev. A 88, 030501 (2013), Y. Yang, H. van Aggelen, S. N. Steinmann, D. Peng, and W. Yang, J. Chem. Phys. 139, 174110 (2013); D. Peng, S. N. Steinmann, H. van Aggelen, and W. Yang, J. Chem. Phys. 139, 104112 (2013)] and N ± 2 excitation energies [Y. Yang, H. van Aggelen, and W. Yang, J. Chem. Phys. 139, 224105 (2013)]. So far Hartree-Fock and approximated density-functional orbitals have been utilized to evaluate the pp-RPA equation. In this paper, to further explore the fundamentals and the potential use of pairing matrix dependent functionals, we present the linear-response time-dependent density-functional theory with pairing fields with both adiabatic and frequency-dependent kernels. This theory is related to the density-functional theory and time-dependent density-functional theory for superconductors, but is applied to normal non-superconducting systems for our purpose. Due to the lack of the proof of the one-to-one mapping between the pairing matrix and the pairing field for time-dependent systems, the linear-response theory is established based on the representability assumption of the pairing matrix. The linear response theory justifies the use of approximated density-functionals in the pp-RPA equation. This work sets the fundamentals for future density-functional development to enhance the description of ground state correlation energies and N ± 2 excitation energies.

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

Buitrago, C. Francisco; Bolintineanu, Dan; Seitz, Michelle E.

Designing acid- and ion-containing polymers for optimal proton, ion, or water transport would benefit profoundly from predictive models or theories that relate polymer structures with ionomer morphologies. Recently, atomistic molecular dynamics (MD) simulations were performed to study the morphologies of precise poly(ethylene-co-acrylic acid) copolymer and ionomer melts. Here, we present the first direct comparisons between scattering profiles, I(q), calculated from these atomistic MD simulations and experimental X-ray data for 11 materials. This set of precise polymers has spacers of exactly 9, 15, or 21 carbons between acid groups and has been partially neutralized with Li, Na, Cs, or Zn. Inmore » these polymers, the simulations at 120 °C reveal ionic aggregates with a range of morphologies, from compact, isolated aggregates (type 1) to branched, stringy aggregates (type 2) to branched, stringy aggregates that percolate through the simulation box (type 3). Excellent agreement is found between the simulated and experimental scattering peak positions across all polymer types and aggregate morphologies. The shape of the amorphous halo in the simulated I(q) profile is in excellent agreement with experimental I(q). We found that the modified hard-sphere scattering model fits both the simulation and experimental I(q) data for type 1 aggregate morphologies, and the aggregate sizes and separations are in agreement. Given the stringy structure in types 2 and 3, we develop a scattering model based on cylindrical aggregates. Both the spherical and cylindrical scattering models fit I(q) data from the polymers with type 2 and 3 aggregates equally well, and the extracted aggregate radii and inter- and intra-aggregate spacings are in agreement between simulation and experiment. Furthermore, these dimensions are consistent with real-space analyses of the atomistic MD simulations. By combining simulations and experiments, the ionomer scattering peak can be associated with the average distance between branches of type 2 or 3 aggregates. Furthermore, this direct comparison of X-ray scattering data to the atomistic MD simulations is a substantive step toward providing a comprehensive, predictive model for ionomer morphology, gives substantial support for this atomistic MD model, and provides new credibility to the presence of stringy, branched, and percolated ionic aggregates in precise ionomer melts.« less

The aggregation of the merocyanine dyes, depending of the type of the counterions.

PubMed

Kolev, Tsonko; Koleva, Bojidarka B; Stoyanov, Stanimir; Spiteller, Michael; Petkov, Ivan

2008-10-01

Counterions affect on the substructures formation in the case of the merocyanine dye, 1-methyl-4-[2-(4-hydroxyphenyl)ethenyl)]piridinium] hydrogensquarate both in gas and condense phase. Spectroscopically and structural elucidation of these aggregates have been performed, using solid-state conventional and linear-polarized IR-spectroscopy of oriented colloids as a nematic liquid crystal suspension, UV-vis spectroscopy, HPLC tandem ESI mass spectrometry, 1H and 13C NMR, TGV and DSC. Quantum chemical DFT calculations have been carried out as well. Experimental and theoretical data are compared with analogous ones of corresponding iodide salt of dye studied.

Substantial Cd-Cd Bonding in Ca6PtCd11: A Condensed Intermetallic Phase Built of Pentagonal Cd7 and Rectangular Cd4/2Pt Pyramids

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

Gulo, Fakhili; Samal, Saroj L.; Corbett, John D.

The new trail-breaking compound Ca6PtCd11 has been synthesized and its structural and bonding properties investigated. This unusual phase features an unprecedented degree of cadmium aggregation, including linear chains, novel Cd7 PBP aggregates, and edge-shared chains of PtCd4/2 square pyramids. Manifestations of this chemistry elsewhere has evidently been precluded in earlier work by the inclusion of larger amounts of the strong d-metal bonding Au or Pt. Under the right conditions Cd seems quite effective as an open s,p-band metal.

Prediction of the light scattering patterns from bacteria colonies by a time-resolved reaction-diffusion model and the scalar diffraction theory

NASA Astrophysics Data System (ADS)

Bae, Euiwon; Bai, Nan; Aroonnual, Amornrat; Bhunia, Arun K.; Robinson, J. Paul; Hirleman, E. Daniel

2009-05-01

In order to maximize the utility of the optical scattering technology in the area of bacterial colony identification, it is necessary to have a thorough understanding of how bacteria species grow into different morphological aggregation and subsequently function as distinctive optical amplitude and phase modulators to alter the incoming Gaussian laser beam. In this paper, a 2-dimentional reaction-diffusion (RD) model with nutrient concentration, diffusion coefficient, and agar hardness as variables is investigated to explain the correlation between the various environmental parameters and the distinctive morphological aggregations formed by different bacteria species. More importantly, the morphological change of the bacterial colony against time is demonstrated by this model, which is able to characterize the spatio-temporal patterns formed by the bacteria colonies over their entire growth curve. The bacteria population density information obtained from the RD model is mathematically converted to the amplitude/phase modulation factor used in the scalar diffraction theory which predicts the light scattering patterns for bacterial colonies. The conclusions drawn from the RD model combined with the scalar diffraction theory are useful in guiding the design of the optical scattering instrument aiming at bacteria colony detection and classification.

Metal Nanoparticle Aerogel Composites

NASA Technical Reports Server (NTRS)

Smith, David D.; Sibille, Laurent; Ignont, Erica; Snow, Lanee; Rose, M. Franklin (Technical Monitor)

2000-01-01

We have fabricated sol-gels containing gold and silver nanoparticles. Formation of an aerogel produces a blue shift in the surface plasmon resonance as a result of the decrease in the dielectric constant of the matrix upon supercritical extraction of the solvent. However, as a result of chemical interface damping this blue shift does not obey effective medium theories. Annealing the samples in a reducing atmosphere at 400 C eliminates this discrepancy and results in narrowing and further blue shifting of the plasmon resonance. Metal particle aggregation also results in a deviation from the predictions of effective medium theories, but can be controlled through careful handling and by avoiding the use of alcohol. By applying effective medium theories to the heterogeneous interlayer surrounding each metal particle, we extend the technique of immersion spectroscopy to inhomogeneous materials characterized by spatially dependent dielectric constants, such as aerogels. We demonstrate that the shift in the surface plasmon wavelength provides the average fractional composition of each component (air and silica) in this inhomogeneous layer, i.e. the porosity of the aerogel or equivalently, for these materials, the catalytic dispersion. Additionally, the kinetics suggest that collective particle interactions in coagulated metal clusters are perturbed during silica gelation resulting in a change in the aggregate geometry.

Comments Regarding the Binary Power Law for Heterogeneity of Disease Incidence

USDA-ARS?s Scientific Manuscript database

The binary power law (BPL) has been successfully used to characterize heterogeneity (over dispersion or small-scale aggregation) of disease incidence for many plant pathosystems. With the BPL, the log of the observed variance is a linear function of the log of the theoretical variance for a binomial...

Crystallography and Molecular Arrangement of Polymorphic Monolayer J-Aggregates of a Cyanine Dye: Multiangle Polarized Light Fluorescence Optical Microscopy Study.

PubMed

Prokhorov, Valery V; Pozin, Sergey I; Perelygina, Olga M; Mal'tsev, Eugene I

2018-04-24

The molecular orientation in monolayer J-aggregates of 3,3-di(γ-sulfopropyl)-5,5-dichlorotiamonomethinecyanine dye has been precisely estimated using improved linear polarization measurements in the fluorescence microscope in which a multiangle set of polarization data is obtained using sample rotation. The estimated molecular orientation supplemented with the previously established crystallographic constraints based on the analysis of the well-developed two-dimensional J-aggregate shapes unambiguously indicate the staircase type of molecular arrangement for striplike J-aggregates with the staircases oriented along strips. The molecular transition dipoles are inclined at an angle of ∼25° to the strip direction, whereas the characteristic strip vertex angle ∼45° is formed by the [100] and [1-10] directions of the monoclinic unit cell. Measurements of the geometry of partially unwound tubes and their polarization properties support the model of tube formation by close-packed helical winding of flexible monolayer strips. In the tubes, the long molecular axes are oriented at a small angle in the range of 5-15° to the normal to the tube axis providing low bending energy. At a nanoscale, high-resolution atomic force microscopy imaging of J-aggregate monolayers reveals a complex quasi-one-dimensional organization.

Sensitive colorimetric visualization of dihydronicotinamide adenine dinucleotide based on anti-aggregation of gold nanoparticles via boronic acid-diol binding.

PubMed

Liu, Shufeng; Du, Zongfeng; Li, Peng; Li, Feng

2012-05-15

A facile, highly sensitive colorimetric strategy for dihydronicotinamide adenine dinucleotide (NADH) detection is proposed based on anti-aggregation of gold nanoparticles (AuNPs) via boronic acid-diol binding chemistry. The aggregation agent, 4-mercaptophenylboronic acid (MPBA), has specific affinity for AuNPs through Au-S interaction, leading to the aggregation of AuNPs by self-dehydration condensation at a certain concentration, which is responsible for a visible color change of AuNPs from wine red to blue. With the addition of NADH, MPBA would prefer reacting with NADH to form stable borate ester via boronic acid-diol binding dependent on the pH and solvent, revealing an obvious color change from blue to red with increasing the concentration of NADH. The anti-aggregation effect of NADH on AuNPs was seen by the naked eye and monitored by UV-vis extinction spectra. The linear range of the colorimetric sensor for NADH is from 8.0 × 10(-9)M to 8.0 × 10(-6)M, with a low detection limit of 2.0 nM. The as-established colorimetric strategy opened a new avenue for NADH determination. Copyright © 2012 Elsevier B.V. All rights reserved.

Direct perturbation theory for the dark soliton solution to the nonlinear Schroedinger equation with normal dispersion

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

Yu Jialu; Yang Chunnuan; Cai Hao

2007-04-15

After finding the basic solutions of the linearized nonlinear Schroedinger equation by the method of separation of variables, the perturbation theory for the dark soliton solution is constructed by linear Green's function theory. In application to the self-induced Raman scattering, the adiabatic corrections to the soliton's parameters are obtained and the remaining correction term is given as a pure integral with respect to the continuous spectral parameter.

Individual differences in long-range time representation.

PubMed

Agostino, Camila S; Caetano, Marcelo S; Balci, Fuat; Claessens, Peter M E; Zana, Yossi

2017-04-01

On the basis of experimental data, long-range time representation has been proposed to follow a highly compressed power function, which has been hypothesized to explain the time inconsistency found in financial discount rate preferences. The aim of this study was to evaluate how well linear and power function models explain empirical data from individual participants tested in different procedural settings. The line paradigm was used in five different procedural variations with 35 adult participants. Data aggregated over the participants showed that fitted linear functions explained more than 98% of the variance in all procedures. A linear regression fit also outperformed a power model fit for the aggregated data. An individual-participant-based analysis showed better fits of a linear model to the data of 14 participants; better fits of a power function with an exponent β > 1 to the data of 12 participants; and better fits of a power function with β < 1 to the data of the remaining nine participants. Of the 35 volunteers, the null hypothesis β = 1 was rejected for 20. The dispersion of the individual β values was approximated well by a normal distribution. These results suggest that, on average, humans perceive long-range time intervals not in a highly compressed, biased manner, but rather in a linear pattern. However, individuals differ considerably in their subjective time scales. This contribution sheds new light on the average and individual psychophysical functions of long-range time representation, and suggests that any attribution of deviation from exponential discount rates in intertemporal choice to the compressed nature of subjective time must entail the characterization of subjective time on an individual-participant basis.

The quasi-optimality criterion in the linear functional strategy

NASA Astrophysics Data System (ADS)

Kindermann, Stefan; Pereverzyev, Sergiy, Jr.; Pilipenko, Andrey

2018-07-01

The linear functional strategy for the regularization of inverse problems is considered. For selecting the regularization parameter therein, we propose the heuristic quasi-optimality principle and some modifications including the smoothness of the linear functionals. We prove convergence rates for the linear functional strategy with these heuristic rules taking into account the smoothness of the solution and the functionals and imposing a structural condition on the noise. Furthermore, we study these noise conditions in both a deterministic and stochastic setup and verify that for mildly-ill-posed problems and Gaussian noise, these conditions are satisfied almost surely, where on the contrary, in the severely-ill-posed case and in a similar setup, the corresponding noise condition fails to hold. Moreover, we propose an aggregation method for adaptively optimizing the parameter choice rule by making use of improved rates for linear functionals. Numerical results indicate that this method yields better results than the standard heuristic rule.

New online ecology of adversarial aggregates: ISIS and beyond.

PubMed

Johnson, N F; Zheng, M; Vorobyeva, Y; Gabriel, A; Qi, H; Velasquez, N; Manrique, P; Johnson, D; Restrepo, E; Song, C; Wuchty, S

2016-06-17

Support for an extremist entity such as Islamic State (ISIS) somehow manages to survive globally online despite considerable external pressure and may ultimately inspire acts by individuals having no history of extremism, membership in a terrorist faction, or direct links to leadership. Examining longitudinal records of online activity, we uncovered an ecology evolving on a daily time scale that drives online support, and we provide a mathematical theory that describes it. The ecology features self-organized aggregates (ad hoc groups formed via linkage to a Facebook page or analog) that proliferate preceding the onset of recent real-world campaigns and adopt novel adaptive mechanisms to enhance their survival. One of the predictions is that development of large, potentially potent pro-ISIS aggregates can be thwarted by targeting smaller ones. Copyright © 2016, American Association for the Advancement of Science.

Time-Dependent Thermal Transport Theory.

PubMed

Biele, Robert; D'Agosta, Roberto; Rubio, Angel

2015-07-31

Understanding thermal transport in nanoscale systems presents important challenges to both theory and experiment. In particular, the concept of local temperature at the nanoscale appears difficult to justify. Here, we propose a theoretical approach where we replace the temperature gradient with controllable external blackbody radiations. The theory recovers known physical results, for example, the linear relation between the thermal current and the temperature difference of two blackbodies. Furthermore, our theory is not limited to the linear regime and goes beyond accounting for nonlinear effects and transient phenomena. Since the present theory is general and can be adapted to describe both electron and phonon dynamics, it provides a first step toward a unified formalism for investigating thermal and electronic transport.

Deducing dust emission mechanisms from field measurements

USDA-ARS?s Scientific Manuscript database

Field observations are needed to both develop and test theories on dust emission for use in global modeling systems. The mechanism of dust emission (aerodynamic entrainment, saltation bombardment, aggregate disintegration) and the amount and particle-size distribution of emitted dust may vary under ...

Macromolecules Vis-a-Vis the Traditions of Chemistry

ERIC Educational Resources Information Center

Flory, Paul J.

1973-01-01

Summarizes the history of concepts concerning the molecular nature of polymers, involving the carbon chain theory, graphic formula, polycondensation, colloidal properties, polypeptide hypothesis, secondary aggregation, and Watson-Crick model. Indicates that macromolecular science should be accommodated within the discipline of molecular science…

An approximation theory for the identification of linear thermoelastic systems

NASA Technical Reports Server (NTRS)

Rosen, I. G.; Su, Chien-Hua Frank

1990-01-01

An abstract approximation framework and convergence theory for the identification of thermoelastic systems is developed. Starting from an abstract operator formulation consisting of a coupled second order hyperbolic equation of elasticity and first order parabolic equation for heat conduction, well-posedness is established using linear semigroup theory in Hilbert space, and a class of parameter estimation problems is then defined involving mild solutions. The approximation framework is based upon generic Galerkin approximation of the mild solutions, and convergence of solutions of the resulting sequence of approximating finite dimensional parameter identification problems to a solution of the original infinite dimensional inverse problem is established using approximation results for operator semigroups. An example involving the basic equations of one dimensional linear thermoelasticity and a linear spline based scheme are discussed. Numerical results indicate how the approach might be used in a study of damping mechanisms in flexible structures.

Diffusion by one wave and by many waves

NASA Astrophysics Data System (ADS)

Albert, J. M.

2010-03-01

Radiation belt electrons and chorus waves are an outstanding instance of the important role cyclotron resonant wave-particle interactions play in the magnetosphere. Chorus waves are particularly complex, often occurring with large amplitude, narrowband but drifting frequency and fine structure. Nevertheless, modeling their effect on radiation belt electrons with bounce-averaged broadband quasi-linear theory seems to yield reasonable results. It is known that coherent interactions with monochromatic waves can cause particle diffusion, as well as radically different phase bunching and phase trapping behavior. Here the two formulations of diffusion, while conceptually different, are shown to give identical diffusion coefficients, in the narrowband limit of quasi-linear theory. It is further shown that suitably averaging the monochromatic diffusion coefficients over frequency and wave normal angle parameters reproduces the full broadband quasi-linear results. This may account for the rather surprising success of quasi-linear theory in modeling radiation belt electrons undergoing diffusion by chorus waves.

Molecular mechanisms of protein aggregation from global fitting of kinetic models.

PubMed

Meisl, Georg; Kirkegaard, Julius B; Arosio, Paolo; Michaels, Thomas C T; Vendruscolo, Michele; Dobson, Christopher M; Linse, Sara; Knowles, Tuomas P J

2016-02-01

The elucidation of the molecular mechanisms by which soluble proteins convert into their amyloid forms is a fundamental prerequisite for understanding and controlling disorders that are linked to protein aggregation, such as Alzheimer's and Parkinson's diseases. However, because of the complexity associated with aggregation reaction networks, the analysis of kinetic data of protein aggregation to obtain the underlying mechanisms represents a complex task. Here we describe a framework, using quantitative kinetic assays and global fitting, to determine and to verify a molecular mechanism for aggregation reactions that is compatible with experimental kinetic data. We implement this approach in a web-based software, AmyloFit. Our procedure starts from the results of kinetic experiments that measure the concentration of aggregate mass as a function of time. We illustrate the approach with results from the aggregation of the β-amyloid (Aβ) peptides measured using thioflavin T, but the method is suitable for data from any similar kinetic experiment measuring the accumulation of aggregate mass as a function of time; the input data are in the form of a tab-separated text file. We also outline general experimental strategies and practical considerations for obtaining kinetic data of sufficient quality to draw detailed mechanistic conclusions, and the procedure starts with instructions for extensive data quality control. For the core part of the analysis, we provide an online platform (http://www.amylofit.ch.cam.ac.uk) that enables robust global analysis of kinetic data without the need for extensive programming or detailed mathematical knowledge. The software automates repetitive tasks and guides users through the key steps of kinetic analysis: determination of constraints to be placed on the aggregation mechanism based on the concentration dependence of the aggregation reaction, choosing from several fundamental models describing assembly into linear aggregates and fitting the chosen models using an advanced minimization algorithm to yield the reaction orders and rate constants. Finally, we outline how to use this approach to investigate which targets potential inhibitors of amyloid formation bind to and where in the reaction mechanism they act. The protocol, from processing data to determining mechanisms, can be completed in <1 d.

Development of a multi-criteria evaluation system to assess growing pig welfare.

PubMed

Martín, P; Traulsen, I; Buxadé, C; Krieter, J

2017-03-01

The aim of this paper was to present an alternative multi-criteria evaluation model to assess animal welfare on farms based on the Welfare Quality® (WQ) project, using an example of welfare assessment of growing pigs. The WQ assessment protocol follows a three-step aggregation process. Measures are aggregated into criteria, criteria into principles and principles into an overall assessment. This study focussed on the first step of the aggregation. Multi-attribute utility theory (MAUT) was used to produce a value of welfare for each criterion. The utility functions and the aggregation function were constructed in two separated steps. The Measuring Attractiveness by a Categorical Based Evaluation Technique (MACBETH) method was used for utility function determination and the Choquet Integral (CI) was used as an aggregation operator. The WQ decision-makers' preferences were fitted in order to construct the utility functions and to determine the CI parameters. The methods were tested with generated data sets for farms of growing pigs. Using the MAUT, similar results were obtained to the ones obtained applying the WQ protocol aggregation methods. It can be concluded that due to the use of an interactive approach such as MACBETH, this alternative methodology is more transparent and more flexible than the methodology proposed by WQ, which allows the possibility to modify the model according, for instance, to new scientific knowledge.

Aggregation of TiO2-graphene nanocomposites in aqueous environment: Influence of environmental factors and UV irradiation.

PubMed

Hua, Zulin; Zhang, Jianan; Bai, Xue; Ye, Zhengfang; Tang, Zhiqiang; Liang, Lu; Liu, Yuqi

2016-01-01

The aggregation kinetics of TiO2-graphene nanocomposites in aqueous solution affected by solution pH, salt types (NaCl, CaCl2) and concentrations of electrolytes, and stability induced by UV irradiation was investigated in this study. The zeta potentials and hydrodynamic diameter of the nanoparticles were used as bases to assess the aggregation behavior, and stability of nanocomposites exposed to UV irradiation was expressed in terms of supernatant concentration. The aggregation of TiO2-graphene nanoparticles in aqueous media followed the colloidal theory. TiO2-graphene nanoparticles were significantly aggregated in the presence of a diavalent cation compared with monovalent cation because the former was more capable of effective charge screening and neutralization. The calculated Hamaker constant of the TiO2-graphene nanocomposites in aqueous solution prepared in the lab was 2.31×10(-20)J. The stability of this composite nanoparticles was between those of pure TiO2 and graphene. A known intensity of UV irradiation was beneficial in the formation of TiO2-graphene nanoparticle aggregates. However, prolonged UV irradiation may stabilize the nanoparticles. These results provided critical information about the colloidal properties of the new TiO2-graphene nanocomposites and were useful in predicting the fate and transport of TiO2-graphene nanocomposites in natural water environments. Copyright © 2015 Elsevier B.V. All rights reserved.

Testing higher-order Lagrangian perturbation theory against numerical simulation. 1: Pancake models

NASA Technical Reports Server (NTRS)

Buchert, T.; Melott, A. L.; Weiss, A. G.

1993-01-01

We present results showing an improvement of the accuracy of perturbation theory as applied to cosmological structure formation for a useful range of quasi-linear scales. The Lagrangian theory of gravitational instability of an Einstein-de Sitter dust cosmogony investigated and solved up to the third order is compared with numerical simulations. In this paper we study the dynamics of pancake models as a first step. In previous work the accuracy of several analytical approximations for the modeling of large-scale structure in the mildly non-linear regime was analyzed in the same way, allowing for direct comparison of the accuracy of various approximations. In particular, the Zel'dovich approximation (hereafter ZA) as a subclass of the first-order Lagrangian perturbation solutions was found to provide an excellent approximation to the density field in the mildly non-linear regime (i.e. up to a linear r.m.s. density contrast of sigma is approximately 2). The performance of ZA in hierarchical clustering models can be greatly improved by truncating the initial power spectrum (smoothing the initial data). We here explore whether this approximation can be further improved with higher-order corrections in the displacement mapping from homogeneity. We study a single pancake model (truncated power-spectrum with power-spectrum with power-index n = -1) using cross-correlation statistics employed in previous work. We found that for all statistical methods used the higher-order corrections improve the results obtained for the first-order solution up to the stage when sigma (linear theory) is approximately 1. While this improvement can be seen for all spatial scales, later stages retain this feature only above a certain scale which is increasing with time. However, third-order is not much improvement over second-order at any stage. The total breakdown of the perturbation approach is observed at the stage, where sigma (linear theory) is approximately 2, which corresponds to the onset of hierarchical clustering. This success is found at a considerable higher non-linearity than is usual for perturbation theory. Whether a truncation of the initial power-spectrum in hierarchical models retains this improvement will be analyzed in a forthcoming work.

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

Bose, Benjamin; Koyama, Kazuya, E-mail: benjamin.bose@port.ac.uk, E-mail: kazuya.koyama@port.ac.uk

We develop a code to produce the power spectrum in redshift space based on standard perturbation theory (SPT) at 1-loop order. The code can be applied to a wide range of modified gravity and dark energy models using a recently proposed numerical method by A.Taruya to find the SPT kernels. This includes Horndeski's theory with a general potential, which accommodates both chameleon and Vainshtein screening mechanisms and provides a non-linear extension of the effective theory of dark energy up to the third order. Focus is on a recent non-linear model of the redshift space power spectrum which has been shownmore » to model the anisotropy very well at relevant scales for the SPT framework, as well as capturing relevant non-linear effects typical of modified gravity theories. We provide consistency checks of the code against established results and elucidate its application within the light of upcoming high precision RSD data.« less

On the interaction of small-scale linear waves with nonlinear solitary waves

NASA Astrophysics Data System (ADS)

Xu, Chengzhu; Stastna, Marek

2017-04-01

In the study of environmental and geophysical fluid flows, linear wave theory is well developed and its application has been considered for phenomena of various length and time scales. However, due to the nonlinear nature of fluid flows, in many cases results predicted by linear theory do not agree with observations. One of such cases is internal wave dynamics. While small-amplitude wave motion may be approximated by linear theory, large amplitude waves tend to be solitary-like. In some cases, when the wave is highly nonlinear, even weakly nonlinear theories fail to predict the wave properties correctly. We study the interaction of small-scale linear waves with nonlinear solitary waves using highly accurate pseudo spectral simulations that begin with a fully nonlinear solitary wave and a train of small-amplitude waves initialized from linear waves. The solitary wave then interacts with the linear waves through either an overtaking collision or a head-on collision. During the collision, there is a net energy transfer from the linear wave train to the solitary wave, resulting in an increase in the kinetic energy carried by the solitary wave and a phase shift of the solitary wave with respect to a freely propagating solitary wave. At the same time the linear waves are greatly reduced in amplitude. The percentage of energy transferred depends primarily on the wavelength of the linear waves. We found that after one full collision cycle, the longest waves may retain as much as 90% of the kinetic energy they had initially, while the shortest waves lose almost all of their initial energy. We also found that a head-on collision is more efficient in destroying the linear waves than an overtaking collision. On the other hand, the initial amplitude of the linear waves has very little impact on the percentage of energy that can be transferred to the solitary wave. Because of the nonlinearity of the solitary wave, these results provide us some insight into wave-mean flow interaction in a fully nonlinear framework.

Self-organizing biochemical cycle in dynamic feedback with soil structure

NASA Astrophysics Data System (ADS)

Vasilyeva, Nadezda; Vladimirov, Artem; Smirnov, Alexander; Matveev, Sergey; Tyrtyshnikov, Evgeniy; Yudina, Anna; Milanovskiy, Evgeniy; Shein, Evgeniy

2016-04-01

In the present study we perform bifurcation analysis of a physically-based mathematical model of self-organized structures in soil (Vasilyeva et al., 2015). The state variables in this model included microbial biomass, two organic matter types, oxygen, carbon dioxide, water content and capillary pore size. According to our previous experimental studies, organic matter affinity to water is an important property affecting soil structure. Therefore, organic matter wettability was taken as principle distinction between organic matter types in this model. It considers general known biological feedbacks with soil physical properties formulated as a system of parabolic type non-linear partial differential equations with elements of discrete modeling for water and pore formation. The model shows complex behavior, involving emergence of temporal and spatial irregular auto-oscillations from initially homogeneous distributions. The energy of external impact on a system was defined by a constant oxygen level on the boundary. Non-linear as opposed to linear oxygen diffusion gives possibility of modeling anaerobic micro-zones formation (organic matter conservation mechanism). For the current study we also introduced population competition of three different types of microorganisms according to their mobility/feeding (diffusive, moving and fungal growth). The strongly non-linear system was solved and parameterized by time-optimized algorithm combining explicit and implicit (matrix form of Thomas algorithm) methods considering the time for execution of the evaluated time-step according to accuracy control. The integral flux of the CO2 state variable was used as a macroscopic parameter to describe system as a whole and validation was carried out on temperature series of moisture dependence for soil heterotrophic respiration data. Thus, soil heterotrophic respiration can be naturally modeled as an integral result of complex dynamics on microscale, arising from biological processes formulated as a sum of state variables products, with no need to introduce any saturation functions, such as Mikhaelis-Menten type kinetics, inside the model. Analyzed dynamic soil model is being further developed to describe soil structure formation and its effect on organic matter decomposition at macro-scale, to predict changes with external perturbations. To link micro- and macro-scales we additionally model soil particles aggregation process. The results from local biochemical soil organic matter cycle serve as inputs to aggregation process, while the output aggregate size distributions define physical properties in the soil profile, these in turn serve as dynamic parameters in local biochemical cycles. The additional formulation is a system of non-linear ordinary differential equations, including Smoluchowski-type equations for aggregation and reaction kinetics equations for coagulation/adsorption/adhesion processes. Vasilyeva N.A., Ingtem J.G., Silaev D.A. Nonlinear dynamical model of microbial growth in soil medium. Computational Mathematics and Modeling, vol. 49, p.31-44, 2015 (in Russian). English version is expected in corresponding vol.27, issue 2, 2016.

Direct perturbation theory for the dark soliton solution to the nonlinear Schrödinger equation with normal dispersion.

PubMed

Yu, Jia-Lu; Yang, Chun-Nuan; Cai, Hao; Huang, Nian-Ning

2007-04-01

After finding the basic solutions of the linearized nonlinear Schrödinger equation by the method of separation of variables, the perturbation theory for the dark soliton solution is constructed by linear Green's function theory. In application to the self-induced Raman scattering, the adiabatic corrections to the soliton's parameters are obtained and the remaining correction term is given as a pure integral with respect to the continuous spectral parameter.

Unification Theory of Optimal Life Histories and Linear Demographic Models in Internal Stochasticity

PubMed Central

Oizumi, Ryo

2014-01-01

Life history of organisms is exposed to uncertainty generated by internal and external stochasticities. Internal stochasticity is generated by the randomness in each individual life history, such as randomness in food intake, genetic character and size growth rate, whereas external stochasticity is due to the environment. For instance, it is known that the external stochasticity tends to affect population growth rate negatively. It has been shown in a recent theoretical study using path-integral formulation in structured linear demographic models that internal stochasticity can affect population growth rate positively or negatively. However, internal stochasticity has not been the main subject of researches. Taking account of effect of internal stochasticity on the population growth rate, the fittest organism has the optimal control of life history affected by the stochasticity in the habitat. The study of this control is known as the optimal life schedule problems. In order to analyze the optimal control under internal stochasticity, we need to make use of “Stochastic Control Theory” in the optimal life schedule problem. There is, however, no such kind of theory unifying optimal life history and internal stochasticity. This study focuses on an extension of optimal life schedule problems to unify control theory of internal stochasticity into linear demographic models. First, we show the relationship between the general age-states linear demographic models and the stochastic control theory via several mathematical formulations, such as path–integral, integral equation, and transition matrix. Secondly, we apply our theory to a two-resource utilization model for two different breeding systems: semelparity and iteroparity. Finally, we show that the diversity of resources is important for species in a case. Our study shows that this unification theory can address risk hedges of life history in general age-states linear demographic models. PMID:24945258

Excited states with internally contracted multireference coupled-cluster linear response theory.

PubMed

Samanta, Pradipta Kumar; Mukherjee, Debashis; Hanauer, Matthias; Köhn, Andreas

2014-04-07

In this paper, the linear response (LR) theory for the variant of internally contracted multireference coupled cluster (ic-MRCC) theory described by Hanauer and Köhn [J. Chem. Phys. 134, 204211 (2011)] has been formulated and implemented for the computation of the excitation energies relative to a ground state of pronounced multireference character. We find that straightforward application of the linear-response formalism to the time-averaged ic-MRCC Lagrangian leads to unphysical second-order poles. However, the coupling matrix elements that cause this behavior are shown to be negligible whenever the internally contracted approximation as such is justified. Hence, for the numerical implementation of the method, we adopt a Tamm-Dancoff-type approximation and neglect these couplings. This approximation is also consistent with an equation-of-motion based derivation, which neglects these couplings right from the start. We have implemented the linear-response approach in the ic-MRCC singles-and-doubles framework and applied our method to calculate excitation energies for a number of molecules ranging from CH2 to p-benzyne and conjugated polyenes (up to octatetraene). The computed excitation energies are found to be very accurate, even for the notoriously difficult case of doubly excited states. The ic-MRCC-LR theory is also applicable to systems with open-shell ground-state wavefunctions and is by construction not biased towards a particular reference determinant. We have also compared the linear-response approach to the computation of energy differences by direct state-specific ic-MRCC calculations. We finally compare to Mk-MRCC-LR theory for which spurious roots have been reported [T.-C. Jagau and J. Gauss, J. Chem. Phys. 137, 044116 (2012)], being due to the use of sufficiency conditions to solve the Mk-MRCC equations. No such problem is present in ic-MRCC-LR theory.

The influence of polymer architecture on the assembly of poly(ethylene oxide) grafted C60 fullerene clusters in aqueous solution: a molecular dynamics simulation study.

PubMed

Hooper, Justin B; Bedrov, Dmitry; Smith, Grant D

2009-03-28

The effect of polymer architecture on the aggregation behavior of C60 fullerenes tethered with a single chain of poly(ethylene oxide) (PEO) in aqueous solution has been investigated using coarse-grained, implicit solvent molecular dynamics simulations. The PEO-grafted fullerenes were comprised of a single tether of 60 repeat units represented as a linear polymer, a three-arm star (20 repeat units/arm) or a six-arm star (10 repeat units/arm). Additionally, the influence of arm length on self-assembly of the PEO-fullerene conjugates was investigated for the three-arm stars. Self-assembly is driven by favorable fullerene-fullerene and fullerene-PEO interactions. Our simulations reveal that it should be possible to control the size and geometry of the self-assembled fullerene aggregates in water through variation of PEO architecture and PEO molecular weight. We found that aggregate size and shape could be understood qualitatively in terms of the packing parameter concept that has been employed for diblock polymer and surfactant self-assembly. Higher molecular weight PEO (longer arms) and more compact PEO (more arms for the same molecular weight) resulted in greater steric repulsion between fullerenes, engendering greater aggregate surface curvature and hence the formation of smaller, more spherically shaped aggregates. Finally, weak attractive interactions between PEO and the fullerenes were found to play an important role in determining aggregate shape, size and the dynamics of self-assembly.

Aeolian bedforms, yardangs, and indurated surfaces in the Tharsis Montes as seen by the HiRISE Camera: Evidence for dust aggregates

USGS Publications Warehouse

Bridges, N.T.; Banks, M.E.; Beyer, R.A.; Chuang, F.C.; Noe Dobrea, E.Z.; Herkenhoff, K. E.; Keszthelyi, L.P.; Fishbaugh, K.E.; McEwen, A.S.; Michaels, T.I.; Thomson, B.J.; Wray, J.J.

2010-01-01

HiRISE images of Mars with ground sampling down to 25 cm/pixel show that the dust-rich mantle covering the surfaces of the Tharsis Montes is organized into ridges whose form and distribution are consistent with formation by aeolian saltation. Other dusty areas near the volcanoes and elsewhere on the planet exhibit a similar morphology. The material composing these "reticulate" bedforms is constrained by their remote sensing properties and the threshold curve combined with the saltation/suspension boundary, both of which vary as a function of elevation (atmospheric pressure), particle size, and particle composition. Considering all of these factors, dust aggregates are the most likely material composing these bedforms. We propose that airfall dust on and near the volcanoes aggregates in situ over time, maybe due to electrostatic charging followed by cementation by salts. The aggregates eventually reach a particle size at which saltation is possible. Aggregates on the flanks are transported downslope by katabatic winds and form linear and "accordion" morphologies. Materials within the calderas and other depressions remain trapped and are subjected to multidirectional winds, forming an interlinked "honeycomb" texture. In many places on and near the volcanoes, light-toned, low thermal inertia yardangs and indurated surfaces are present. These may represent "duststone" formed when aggregates reach a particle size below the threshold curve, such that they become stabilized and subsequently undergo cementation. ?? 2009 Elsevier Inc.

Impact of spatial and temporal aggregation of input parameters on the assessment of irrigation scheme performance

NASA Astrophysics Data System (ADS)

Lorite, I. J.; Mateos, L.; Fereres, E.

2005-01-01

SummaryThe simulations of dynamic, spatially distributed non-linear models are impacted by the degree of spatial and temporal aggregation of their input parameters and variables. This paper deals with the impact of these aggregations on the assessment of irrigation scheme performance by simulating water use and crop yield. The analysis was carried out on a 7000 ha irrigation scheme located in Southern Spain. Four irrigation seasons differing in rainfall patterns were simulated (from 1996/1997 to 1999/2000) with the actual soil parameters and with hypothetical soil parameters representing wider ranges of soil variability. Three spatial aggregation levels were considered: (I) individual parcels (about 800), (II) command areas (83) and (III) the whole irrigation scheme. Equally, five temporal aggregation levels were defined: daily, weekly, monthly, quarterly and annually. The results showed little impact of spatial aggregation in the predictions of irrigation requirements and of crop yield for the scheme. The impact of aggregation was greater in rainy years, for deep-rooted crops (sunflower) and in scenarios with heterogeneous soils. The highest impact on irrigation requirement estimations was in the scenario of most heterogeneous soil and in 1999/2000, a year with frequent rainfall during the irrigation season: difference of 7% between aggregation levels I and III was found. Equally, it was found that temporal aggregation had only significant impact on irrigation requirements predictions for time steps longer than 4 months. In general, simulated annual irrigation requirements decreased as the time step increased. The impact was greater in rainy years (specially with abundant and concentrated rain events) and in crops which cycles coincide in part with the rainy season (garlic, winter cereals and olive). It is concluded that in this case, average, representative values for the main inputs of the model (crop, soil properties and sowing dates) can generate results within 1% of those obtained by providing spatially specific values for about 800 parcels.

DDA Computations of Porous Aggregates with Forsterite Crystals: Effects of Crystal Shape and Crystal Mass Fraction

NASA Technical Reports Server (NTRS)

Wooden, Diane H.; Lindsay, Sean S.; Harker, David; Woodward, Charles; Kelley, Michael S.; Kolokolova, Ludmilla

2015-01-01

Porous aggregate grains are commonly found in cometary dust samples and are needed to model cometary IR spectral energy distributions (SEDs). Models for thermal emissions from comets require two forms of silicates: amorphous and crystalline. The dominant crystal resonances observed in comet SEDs are from Forsterite (Mg2SiO4). The mass fractions that are crystalline span a large range from 0.0 < or = fcrystal < or = 0.74. Radial transport models that predict the enrichment of the outer disk (>25 AU at 1E6 yr) by inner disk materials (crystals) are challenged to yield the highend-range of cometary crystal mass fractions. However, in current thermal models, Forsterite crystals are not incorporated into larger aggregate grains but instead only are considered as discrete crystals. A complicating factor is that Forsterite crystals with rectangular shapes better fit the observed spectral resonances in wavelength (11.0-11.15 microns, 16, 19, 23.5, 27, and 33 microns), feature asymmetry and relative height (Lindley et al. 2013) than spherically or elliptically shaped crystals. We present DDA-DDSCAT computations of IR absorptivities (Qabs) of 3 micron-radii porous aggregates with 0.13 < or = fcrystal < or = 0.35 and with polyhedral-shaped Forsterite crystals. We can produce crystal resonances with similar appearance to the observed resonances of comet Hale- Bopp. Also, a lower mass fraction of crystals in aggregates can produce the same spectral contrast as a higher mass fraction of discrete crystals; the 11micron and 23 micron crystalline resonances appear amplified when crystals are incorporated into aggregates composed otherwise of spherically shaped amorphous Fe-Mg olivines and pyroxenes. We show that the optical properties of a porous aggregate is not linear combination of its monomers, so aggregates need to be computed. We discuss the consequence of lowering comet crystal mass fractions by modeling IR SEDs with aggregates with crystals, and the implications for radial transport models of our protoplanetary disk.

Applications of Cosmological Perturbation Theory

NASA Astrophysics Data System (ADS)

Christopherson, Adam J.

2011-06-01

Cosmological perturbation theory is crucial for our understanding of the universe. The linear theory has been well understood for some time, however developing and applying the theory beyond linear order is currently at the forefront of research in theoretical cosmology. This thesis studies the applications of perturbation theory to cosmology and, specifically, to the early universe. Starting with some background material introducing the well-tested 'standard model' of cosmology, we move on to develop the formalism for perturbation theory up to second order giving evolution equations for all types of scalar, vector and tensor perturbations, both in gauge dependent and gauge invariant form. We then move on to the main result of the thesis, showing that, at second order in perturbation theory, vorticity is sourced by a coupling term quadratic in energy density and entropy perturbations. This source term implies a qualitative difference to linear order. Thus, while at linear order vorticity decays with the expansion of the universe, the same is not true at higher orders. This will have important implications on future measurements of the polarisation of the Cosmic Microwave Background, and could give rise to the generation of a primordial seed magnetic field. Having derived this qualitative result, we then estimate the scale dependence and magnitude of the vorticity power spectrum, finding, for simple power law inputs a small, blue spectrum. The final part of this thesis concerns higher order perturbation theory, deriving, for the first time, the metric tensor, gauge transformation rules and governing equations for fully general third order perturbations. We close with a discussion of natural extensions to this work and other possible ideas for off-shooting projects in this continually growing field.

A linear quadratic regulator approach to the stabilization of uncertain linear systems

NASA Technical Reports Server (NTRS)

Shieh, L. S.; Sunkel, J. W.; Wang, Y. J.

1990-01-01

This paper presents a linear quadratic regulator approach to the stabilization of uncertain linear systems. The uncertain systems under consideration are described by state equations with the presence of time-varying unknown-but-bounded uncertainty matrices. The method is based on linear quadratic regulator (LQR) theory and Liapunov stability theory. The robust stabilizing control law for a given uncertain system can be easily constructed from the symmetric positive-definite solution of the associated augmented Riccati equation. The proposed approach can be applied to matched and/or mismatched systems with uncertainty matrices in which only their matrix norms are bounded by some prescribed values and/or their entries are bounded by some prescribed constraint sets. Several numerical examples are presented to illustrate the results.

The Hagen-Poiseuille, Plane Couette and Poiseuille Flows Linear Instability and Rogue Waves Excitation Mechanism

NASA Astrophysics Data System (ADS)

Chefranov, Sergey; Chefranov, Alexander

2016-04-01

Linear hydrodynamic stability theory for the Hagen-Poiseuille (HP) flow yields a conclusion of infinitely large threshold Reynolds number, Re, value. This contradiction to the observation data is bypassed using assumption of the HP flow instability having hard type and possible for sufficiently high-amplitude disturbances. HP flow disturbance evolution is considered by nonlinear hydrodynamic stability theory. Similar is the case of the plane Couette (PC) flow. For the plane Poiseuille (PP) flow, linear theory just quantitatively does not agree with experimental data defining the threshold Reynolds number Re= 5772 ( S. A. Orszag, 1971), more than five-fold exceeding however the value observed, Re=1080 (S. J. Davies, C. M. White, 1928). In the present work, we show that the linear stability theory conclusions for the HP and PC on stability for any Reynolds number and evidently too high threshold Reynolds number estimate for the PP flow are related with the traditional use of the disturbance representation assuming the possibility of separation of the longitudinal (along the flow direction) variable from the other spatial variables. We show that if to refuse from this traditional form, conclusions on the linear instability for the HP and PC flows may be obtained for finite Reynolds numbers (for the HP flow, for Re>704, and for the PC flow, for Re>139). Also, we fit the linear stability theory conclusion on the PP flow to the experimental data by getting an estimate of the minimal threshold Reynolds number as Re=1040. We also get agreement of the minimal threshold Reynolds number estimate for PC with the experimental data of S. Bottin, et.al., 1997, where the laminar PC flow stability threshold is Re = 150. Rogue waves excitation mechanism in oppositely directed currents due to the PC flow linear instability is discussed. Results of the new linear hydrodynamic stability theory for the HP, PP, and PC flows are published in the following papers: 1. S.G. Chefranov, A.G. Chefranov, JETP, v.119, No.2, 331, 2014 2. S.G. Chefranov, A.G. Chefranov, Doklady Physics, vol.60, No.7, 327-332, 2015 3. S.G. Chefranov, A. G. Chefranov, arXiv: 1509.08910v1 [physics.flu-dyn] 29 Sep 2015 (accepted to JETP)

Development of a new colorimetric assay for detection of bisphenol-A in aqueous media using green synthesized silver chloride nanoparticles: experimental and theoretical study.

PubMed

Khalililaghab, Shiva; Momeni, Safieh; Farrokhnia, Maryam; Nabipour, Iraj; Karimi, Sadegh

2017-04-01

In the present study, a cost-effective, green and simple synthesis method was applied for preparation of stable silver chloride nanoparticles (AgCl-NPs). The method was done by forming AgCl-NPs from Ag + ions using aqueous extract of brown algae (Sargassum boveanum) obtained from the Persian Gulf Sea. This extract served as capping agent during the formation of AgCl-NPs. Creation of AgCl-NPs was confirmed by UV-visible spectroscopy, powder X-ray diffraction, energy-dispersive X-ray spectroscopy, and high-resolution transmission electron microscopy, while the morphology and size analyses were characterized using high-resolution transmission electron microscopy and dynamic light scattering. After optimization of some experimental conditions, particularly pH, a simple and facile system was developed for the naked-eye detection of bisphenol-A. Moreover, a theoretical study of AgCl interaction with bisphenol-A was performed at the density functional level of theory in both gas and solvent phases. Theoretical results showed that electrostatic and van der Waal interactions play important roles in complexation of bisphenol-A with AgCl-NPs, which can lead to aggregation of the as-prepared AgCl-NPs and results in color change from specific yellow to dark purple, where a new aggregation band induced at 542 nm appears. The absorbance at 542 nm was found to be linearly dependent on the bisphenol-A concentration in the range of 1 × 10 -6 -1 × 10 -4  M, with limit of detection of 45 nM. In conclusion, obtained results from the present study can open up an innovative application of the green synthesis of AgCl-NPs using brown algae extract as colorimetric sensors.

Manipulator control by exact linearization

NASA Technical Reports Server (NTRS)

Kruetz, K.

1987-01-01

Comments on the application to rigid link manipulators of geometric control theory, resolved acceleration control, operational space control, and nonlinear decoupling theory are given, and the essential unity of these techniques for externally linearizing and decoupling end effector dynamics is discussed. Exploiting the fact that the mass matrix of a rigid link manipulator is positive definite, a consequence of rigid link manipulators belonging to the class of natural physical systems, it is shown that a necessary and sufficient condition for a locally externally linearizing and output decoupling feedback law to exist is that the end effector Jacobian matrix be nonsingular. Furthermore, this linearizing feedback is easy to produce.

Intra- Versus Intersex Aggression: Testing Theories of Sex Differences Using Aggression Networks.

PubMed

Wölfer, Ralf; Hewstone, Miles

2015-08-01

Two theories offer competing explanations of sex differences in aggressive behavior: sexual-selection theory and social-role theory. While each theory has specific strengths and limitations depending on the victim's sex, research hardly differentiates between intrasex and intersex aggression. In the present study, 11,307 students (mean age = 14.96 years; 50% girls, 50% boys) from 597 school classes provided social-network data (aggression and friendship networks) as well as physical (body mass index) and psychosocial (gender and masculinity norms) information. Aggression networks were used to disentangle intra- and intersex aggression, whereas their class-aggregated sex differences were analyzed using contextual predictors derived from sexual-selection and social-role theories. As expected, results revealed that sexual-selection theory predicted male-biased sex differences in intrasex aggression, whereas social-role theory predicted male-biased sex differences in intersex aggression. Findings suggest the value of explaining sex differences separately for intra- and intersex aggression with a dual-theory framework covering both evolutionary and normative components. © The Author(s) 2015.

A Comparison of Measurement Equivalence Methods Based on Confirmatory Factor Analysis and Item Response Theory.

ERIC Educational Resources Information Center

Flowers, Claudia P.; Raju, Nambury S.; Oshima, T. C.

Current interest in the assessment of measurement equivalence emphasizes two methods of analysis, linear, and nonlinear procedures. This study simulated data using the graded response model to examine the performance of linear (confirmatory factor analysis or CFA) and nonlinear (item-response-theory-based differential item function or IRT-Based…

Constructive Processes in Linear Order Problems Revealed by Sentence Study Times

ERIC Educational Resources Information Center

Mynatt, Barbee T.; Smith, Kirk H.

1977-01-01

This research was a further test of the theory of constructive processes proposed by Foos, Smith, Sabol, and Mynatt (1976) to account for differences among presentation orders in the construction of linear orders. This theory is composed of different series of mental operations that must be performed when an order relationship is integrated with…

The application of Green's theorem to the solution of boundary-value problems in linearized supersonic wing theory

NASA Technical Reports Server (NTRS)

Heaslet, Max A; Lomax, Harvard

1950-01-01

Following the introduction of the linearized partial differential equation for nonsteady three-dimensional compressible flow, general methods of solution are given for the two and three-dimensional steady-state and two-dimensional unsteady-state equations. It is also pointed out that, in the absence of thickness effects, linear theory yields solutions consistent with the assumptions made when applied to lifting-surface problems for swept-back plan forms at sonic speeds. The solutions of the particular equations are determined in all cases by means of Green's theorem, and thus depend on the use of Green's equivalent layer of sources, sinks, and doublets. Improper integrals in the supersonic theory are treated by means of Hadamard's "finite part" technique.

Non-linear Frequency Shifts, Mode Couplings, and Decay Instability of Plasma Waves

NASA Astrophysics Data System (ADS)

Affolter, Mathew; Anderegg, F.; Driscoll, C. F.; Valentini, F.

2015-11-01

We present experiments and theory for non-linear plasma wave decay to longer wavelengths, in both the oscillatory coupling and exponential decay regimes. The experiments are conducted on non-neutral plasmas in cylindrical Penning-Malmberg traps, θ-symmetric standing plasma waves have near acoustic dispersion ω (kz) ~kz - αkz2 , discretized by kz =mz (π /Lp) . Large amplitude waves exhibit non-linear frequency shifts δf / f ~A2 and Fourier harmonic content, both of which are increased as the plasma dispersion is reduced. Non-linear coupling rates are measured between large amplitude mz = 2 waves and small amplitude mz = 1 waves, which have a small detuning Δω = 2ω1 -ω2 . At small excitation amplitudes, this detuning causes the mz = 1 mode amplitude to ``bounce'' at rate Δω , with amplitude excursions ΔA1 ~ δn2 /n0 consistent with cold fluid theory and Vlasov simulations. At larger excitation amplitudes, where the non-linear coupling exceeds the dispersion, phase-locked exponential growth of the mz = 1 mode is observed, in qualitative agreement with simple 3-wave instability theory. However, significant variations are observed experimentally, and N-wave theory gives stunningly divergent predictions that depend sensitively on the dispersion-moderated harmonic content. Measurements on higher temperature Langmuir waves and the unusual ``EAW'' (KEEN) waves are being conducted to investigate the effects of wave-particle kinetics on the non-linear coupling rates. Department of Energy Grants DE-SC0002451and DE-SC0008693.

Can dust emission mechanisms be determined from field measurements?

USDA-ARS?s Scientific Manuscript database

Field observations are needed to develop and test theories on dust emission for use in dust modeling systems. The dust emission mechanism (aerodynamic entrainment, saltation bombardment, aggregate disintegration) as well as the amount and particle-size distribution of emitted dust may vary under sed...

Disentangling dust emission mechanisms – a field study

USDA-ARS?s Scientific Manuscript database

Field observations are needed to both develop and test theories on dust emission for use in global modeling systems. The dust emission mechanism (aerodynamic entrainment, saltation bombardment, aggregate disintegration) as well as the amount and particle-size distribution of emitted dust may vary un...

A unified model explains commonness and rarity on coral reefs.

PubMed

Connolly, Sean R; Hughes, Terry P; Bellwood, David R

2017-04-01

Abundance patterns in ecological communities have important implications for biodiversity maintenance and ecosystem functioning. However, ecological theory has been largely unsuccessful at capturing multiple macroecological abundance patterns simultaneously. Here, we propose a parsimonious model that unifies widespread ecological relationships involving local aggregation, species-abundance distributions, and species associations, and we test this model against the metacommunity structure of reef-building corals and coral reef fishes across the western and central Pacific. For both corals and fishes, the unified model simultaneously captures extremely well local species-abundance distributions, interspecific variation in the strength of spatial aggregation, patterns of community similarity, species accumulation, and regional species richness, performing far better than alternative models also examined here and in previous work on coral reefs. Our approach contributes to the development of synthetic theory for large-scale patterns of community structure in nature, and to addressing ongoing challenges in biodiversity conservation at macroecological scales. © 2017 The Authors. Ecology Letters published by CNRS and John Wiley & Sons Ltd.

A Small Angle Scattering Sensor System for the Characterization of Combustion Generated Particulate

NASA Technical Reports Server (NTRS)

Feikema, Douglas A.; Kim, W.; Sivathanu, Yudaya

2007-01-01

One of the critical issues for the US space program is fire safety of the space station and future launch vehicles. A detailed understanding of the scattering signatures of particulate is essential for the development of a false alarm free fire detection system. This paper describes advanced optical instrumentation developed and applied for fire detection. The system is being designed to determine four important physical properties of disperse fractal aggregates and particulates including size distribution, number density, refractive indices, and fractal dimension. Combustion generated particulate are the primary detection target; however, in order to discriminate from other particulate, non-combustion generated particles should also be characterized. The angular scattering signature is measured and analyzed using two photon optical laser scattering. The Rayleigh-Debye-Gans (R-D-G) scattering theory for disperse fractal aggregates is utilized. The system consists of a pulsed laser module, detection module and data acquisition system and software to analyze the signals. The theory and applications are described.

Interpretation of light scattering and turbidity measurements in aggregated systems: effect of intra-cluster multiple-light scattering.

PubMed

Soos, Miroslav; Lattuada, Marco; Sefcik, Jan

2009-11-12

In this work we studied the effect of intracluster multiple-light scattering on the scattering properties of a population of fractal aggregates. To do so, experimental data of diffusion-limited aggregation for three polystyrene latexes with similar surface properties but different primary particle diameters (equal to 118, 420, and 810 nm) were obtained by static light scattering and by means of a spectrophotometer. In parallel, a population balance equation (PBE) model, which takes into account the effect of intracluster multiple-light scattering by solving the T-matrix and the mean-field version of T-matrix, was formulated and validated against time evolution of the root mean radius of gyration, , of the zero angle intensity of scattered light, I(0), and of the turbidity, tau. It was found that the mean-field version of the T-matrix theory is able to correctly predict the time evolution of all measured light scattering quantities for all sizes of primary particles without any adjustable parameter. The structure of the aggregates, characterized by fractal dimension, d(f), was independent of the primary particle size and equal to 1.7, which is in agreement with values found in literature. Since the mean-field version of the T-matrix theory used is rather complicated and requires advanced knowledge of cluster structure (i.e., the particle-particle correlation function), a simplified version of the light scattering model was proposed and tested. It was found that within the range of operating conditions investigated, the simplified version of the light scattering model was able to describe with reasonable accuracy the time evolution of all measured light scattering quantities of the cluster mass distribution (CMD) for all three sizes of primary particles and two values of the laser wavelength.

Aggregating Individual Preferences in the Analytic Hierarchy Process Applied to the 1983 Battelle TAV Study.

DTIC Science & Technology

1985-03-15

elicitation - rankings, ratings, and pairwise comparisons, 2) Value Theory: includes an explanation of the AHP and fuzzy set theory, and 3) Group... AHP are better tools for these " fuzzy " applications. These results apply directly to this thesis. The original Battelle survey used direct ratings to...iridepeindent uf three arggretation toctiiIque5: geometric mean input, arithmetic me;n voctor output, and Majority rle,, output. The AHP consi:3tcncy index was

The Application of Exchange Network Theory to the Analysis of Foreign Direct Investment in the People’s Republic of China

DTIC Science & Technology

1988-12-01

theory was first articulated by Andre Gundc ’rank (Trimberger, 1979). Frank contended that Third d countries are not undeveloped but rather underdeeloped...on many of these questions. Foreign investment in Third World countries has typically been studied from an aggregate level perspective. 2 The...accumulation of surplus in the core countries on the basis of inequalities in exchange relations with the rest of the world" (p.401). Exchange relations are

Electrochemical Features of the Ferric Sulfate Leaching of CuFeS2/C Aggregates.

DTIC Science & Technology

1984-11-28

HCl at room temperature by linear sweep f’ -" !, voltametry Ai potentiostatic electrolysis. For example, they found #i j n one case that the anodic...converter and Model 175 potential sweep generator. Potentlo- * dynamic polarization experiments were designed to examine the nature :of the half-cell

Unity and diversity in mixing: Stretching, diffusion, breakup, and aggregation in chaotic flows

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

Ottino, J.M.

1991-05-01

Experiments and theory have produced a reasonably good qualitative understanding of the evolution of chaotic mixing of passive tracers, especially in two-dimensional time-periodic flow fields. Such an understanding forms a fabric for the evolution of breakup, aggregation, and diffusion-controlled reactions in more complex flows. These systems can be viewed as a population of microstructures'' whose behavior is dictated by iterations of a chaotic flow; microstructures break, diffuse, and aggregate, causing the population to evolve in space and time. This paper presents simple physical models for such processes. Self-similarity is common to all the problems; examples arise in the context ofmore » the distribution of stretchings within chaotic flows, in the asymptotic evolution of diffusion-reaction processes at striation thickness scales, in the equilibrium distribution of drop sizes generated upon mixing of immiscible fluids, in the equations describing mean-field kinetics of coagulation, in the sequence of actions necessary for the destruction of islands in two-dimensional flow, and in the fractal structure of clusters produced upon aggregation in chaotic flows.« less

Colorimetric determination of Al(III) based on the aggregation of gold nanoparticles functionalized with novel 4-benzoyl pyrazolone derivative

NASA Astrophysics Data System (ADS)

Abubaker, Mariam; Ngah, Che Wan Zanariah Che Wan; Ahmad, Musa; Kuswandi, Bambang

2018-06-01

A sensitive and selective colorimetric method has been developed for detection of Al3+ ion using 4-benzoyl pyrazolone-functionalized gold nanoparticles (BMPBP-AuNPs) as novel colorimetric probes. The BMPBP-AuNPs were characterized by UV-visible spectrometry and transmission electron microscopy (TEM). It was found that the addition of the Al3+ ions led to a rapid aggregation of the BMPBP-AuNPs, which changed the color of the mixture from red to blue. Furthermore, there was a shift in the characteristic surface plasmon resonance (SPR) peak from 524 to 650 nm of BMPBP-AuNPs, which confirmed that a good linear relation (R2 = 0.9935) was present between the absorption ratio of 524 and 650 nm. Also, the assay detected the Al3+ ion concentrations in the linear range 0-12 ppm with the detection limit is 0.05 ppm. Finally, the synthesized BMPBP-AuNPs were successfully used as a colorimetric sensor for the selective and sensitive detection of the Al3+ ions in water samples.

Effect of the concentration of magnetic grains on the linear-optical-absorption coefficient of ferrofluid-doped lyotropic mesophases: deviation from the Beer-Lambert law.

PubMed

Cuppo, F L S; Gómez, S L; Figueiredo Neto, A M

2004-04-01

In this paper is reported a systematic experimental study of the linear-optical-absorption coefficient of ferrofluid-doped isotropic lyotropic mixtures as a function of the magnetic-grains concentration. The linear optical absorption of ferrolyomesophases increases in a nonlinear manner with the concentration of magnetic grains, deviating from the usual Beer-Lambert law. This behavior is associated to the presence of correlated micelles in the mixture which favors the formation of small-scale aggregates of magnetic grains (dimers), which have a higher absorption coefficient with respect to that of isolated grains. We propose that the indirect heating of the micelles via the ferrofluid grains (hyperthermia) could account for this nonlinear increase of the linear-optical-absorption coefficient as a function of the grains concentration.

Linear-scaling method for calculating nuclear magnetic resonance chemical shifts using gauge-including atomic orbitals within Hartree-Fock and density-functional theory.

PubMed

Kussmann, Jörg; Ochsenfeld, Christian

2007-08-07

Details of a new density matrix-based formulation for calculating nuclear magnetic resonance chemical shifts at both Hartree-Fock and density functional theory levels are presented. For systems with a nonvanishing highest occupied molecular orbital-lowest unoccupied molecular orbital gap, the method allows us to reduce the asymptotic scaling order of the computational effort from cubic to linear, so that molecular systems with 1000 and more atoms can be tackled with today's computers. The key feature is a reformulation of the coupled-perturbed self-consistent field (CPSCF) theory in terms of the one-particle density matrix (D-CPSCF), which avoids entirely the use of canonical MOs. By means of a direct solution for the required perturbed density matrices and the adaptation of linear-scaling integral contraction schemes, the overall scaling of the computational effort is reduced to linear. A particular focus of our formulation is to ensure numerical stability when sparse-algebra routines are used to obtain an overall linear-scaling behavior.

Linear {GLP}-algebras and their elementary theories

NASA Astrophysics Data System (ADS)

Pakhomov, F. N.

2016-12-01

The polymodal provability logic {GLP} was introduced by Japaridze in 1986. It is the provability logic of certain chains of provability predicates of increasing strength. Every polymodal logic corresponds to a variety of polymodal algebras. Beklemishev and Visser asked whether the elementary theory of the free {GLP}-algebra generated by the constants \\mathbf{0}, \\mathbf{1} is decidable [1]. For every positive integer n we solve the corresponding question for the logics {GLP}_n that are the fragments of {GLP} with n modalities. We prove that the elementary theory of the free {GLP}_n-algebra generated by the constants \\mathbf{0}, \\mathbf{1} is decidable for all n. We introduce the notion of a linear {GLP}_n-algebra and prove that all free {GLP}_n-algebras generated by the constants \\mathbf{0}, \\mathbf{1} are linear. We also consider the more general case of the logics {GLP}_α whose modalities are indexed by the elements of a linearly ordered set α: we define the notion of a linear algebra and prove the latter result in this case.

Linearized-moment analysis of the temperature jump and temperature defect in the Knudsen layer of a rarefied gas.

PubMed

Gu, Xiao-Jun; Emerson, David R

2014-06-01

Understanding the thermal behavior of a rarefied gas remains a fundamental problem. In the present study, we investigate the predictive capabilities of the regularized 13 and 26 moment equations. In this paper, we consider low-speed problems with small gradients, and to simplify the analysis, a linearized set of moment equations is derived to explore a classic temperature problem. Analytical solutions obtained for the linearized 26 moment equations are compared with available kinetic models and can reliably capture all qualitative trends for the temperature-jump coefficient and the associated temperature defect in the thermal Knudsen layer. In contrast, the linearized 13 moment equations lack the necessary physics to capture these effects and consistently underpredict kinetic theory. The deviation from kinetic theory for the 13 moment equations increases significantly for specular reflection of gas molecules, whereas the 26 moment equations compare well with results from kinetic theory. To improve engineering analyses, expressions for the effective thermal conductivity and Prandtl number in the Knudsen layer are derived with the linearized 26 moment equations.

Cosmic-ray streaming perpendicular to the mean magnetic field. II - The gyrophase distribution function

NASA Technical Reports Server (NTRS)

Forman, M. A.; Jokipii, J. R.

1978-01-01

The distribution function of cosmic rays streaming perpendicular to the mean magnetic field in a turbulent medium is reexamined. Urch's (1977) discovery that in quasi-linear theory, the flux is due to particles at 90 deg pitch angle is discussed and shown to be consistent with previous formulations of the theory. It is pointed out that this flux of particles at 90 deg cannot be arbitrarily set equal to zero, and hence the alternative theory which proceeds from this premise is dismissed. A further, basic inconsistency in Urch's transport equation is demonstrated, and the connection between quasi-linear theory and compound diffusion is discussed.

Linear-scaling implementation of molecular response theory in self-consistent field electronic-structure theory.

PubMed

Coriani, Sonia; Høst, Stinne; Jansík, Branislav; Thøgersen, Lea; Olsen, Jeppe; Jørgensen, Poul; Reine, Simen; Pawłowski, Filip; Helgaker, Trygve; Sałek, Paweł

2007-04-21

A linear-scaling implementation of Hartree-Fock and Kohn-Sham self-consistent field theories for the calculation of frequency-dependent molecular response properties and excitation energies is presented, based on a nonredundant exponential parametrization of the one-electron density matrix in the atomic-orbital basis, avoiding the use of canonical orbitals. The response equations are solved iteratively, by an atomic-orbital subspace method equivalent to that of molecular-orbital theory. Important features of the subspace method are the use of paired trial vectors (to preserve the algebraic structure of the response equations), a nondiagonal preconditioner (for rapid convergence), and the generation of good initial guesses (for robust solution). As a result, the performance of the iterative method is the same as in canonical molecular-orbital theory, with five to ten iterations needed for convergence. As in traditional direct Hartree-Fock and Kohn-Sham theories, the calculations are dominated by the construction of the effective Fock/Kohn-Sham matrix, once in each iteration. Linear complexity is achieved by using sparse-matrix algebra, as illustrated in calculations of excitation energies and frequency-dependent polarizabilities of polyalanine peptides containing up to 1400 atoms.

Self-assembly behavior of pH- and thermosensitive amphiphilic triblock copolymers in solution: experimental studies and self-consistent field theory simulations.

PubMed

Cai, Chunhua; Zhang, Liangshun; Lin, Jiaping; Wang, Liquan

2008-10-09

We investigated, both experimentally and theoretically, the self-assembly behaviors of pH- and thermosensitive poly(L-glutamic acid)- b-poly(propylene oxide)-b-poly(L-glutamic acid) (PLGA-b-PPO-b-PLGA) triblock copolymers in aqueous solution by means of transmission electron microscopy (TEM), scanning electron microscopy (SEM), dynamic light scattering (DLS), circular dichroism (CD), and self-consistent field theory (SCFT) simulations. Vesicles were observed when the hydrophilic PLGA block length is shorter or the pH value of solution is lower. The vesicles were found to transform to spherical micelles when the PLGA block length increases or its conformation changes from helix to coil with increasing the pH value. In addition, increasing temperature gives rise to a decrease in the size of aggregates, which is related to the dehydration of the PPO segments at higher temperatures. The SCFT simulation results show that the vesicles transform to the spherical micelles with increasing the fraction or statistical length of A block in model ABA triblock copolymer, which corresponds to the increase in the PLGA length or its conformation change from helix to coil in experiments, respectively. The SCFT calculations also provide chain distribution information in the aggregates. On the basis of both experimental and SCFT results, the mechanism of the structure change of the PLGA- b-PPO- b-PLGA aggregates was proposed.

Precursor Ion–Ion Aggregation in the Brust–Schiffrin Synthesis of Alkanethiol Nanoparticles

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

Graham, Trent R.; Renslow, Ryan; Govind, Niranjan

Tetraoctylammonium bromide is used in the Brust-Schiffrin nanoparticle synthesis to phase-transfer chloroaurate ions from the aqueous phase to the organic phase. While it is established that the quaternary ammonium complex self-associates in the organic phase, the actual self-assembled structure is debated. We have confirmed the presence of ion-ion aggregates through quantitative 1H Nuclear Magnetic Resonance spectroscopy (NMR), pulsed field gradient, diffusion-ordered NMR (DOSY-NMR) and density functional theory (DFT) based NMR shift calculations. Tetraoctylammonium complexes (TOA-X, where X = Br, Cl, AuCl4-xBrx, AuBr4/Br and AuCl4-xBrx/Br) were investigated to measure the extraction of water into the organic phase. 1H NMR and DFTmore » based NMR shielding calculations indicated that deshielding of water is due to hydration of the anion and not the formation of the aqueous core of a reverse micelle. DOSYNMR results were consistent with the formation of small aggregates at typical Brust-Schiffrin synthesis concentrations. The extent of aggregation correlated with the size and electronegativity of the anion and was analyzed with a modified, isodesmic, indefinite aggregation model. The substitution of bromoauric acid for chlororoauric acid at conditions emulating the Brust-Schiffrin synthesis increased the aggregation of the quaternary ammonium complex. The increase in aggregation corresponded with an increase in the size of the produced nanoparticles from 4.3 to 4.6 nm. Understanding the selfassembly and supramolecular structure of precursors in the Brust-Schiffrin synthesis will enable further refinement of models that predict the growth of noble metal nanoparticles.« less

Aggregating indices of risk and protection for adolescent behavior problems: the Communities That Care Youth Survey.

PubMed

Feinberg, Mark E; Ridenour, Ty A; Greenberg, Mark T

2007-06-01

To facilitate research on adolescent risk and protection regarding behavior problems, and to facilitate community decision-making regarding resource allocation for intervention programs, by creating a reduced set of coherent aggregate indices of adolescent risk and protection. We examined the 31 risk and protective factor scales in the Communities That Care Youth Survey (CTC-YS). Data came from two waves of the CTC-YS administered to sixth through 12th graders in Pennsylvania (2001 n = 43,842; 2003 n =101,988). Factor analysis and calculation of internal reliability were used to create aggregate indices of risk/protective factor domains. Correlations of aggregate indices with each other and with problem behaviors (antisocial behavior, substance use) were examined. Theory and empirical results led to the creation of seven coherent indices: Community Cohesion, Family Cohesion, Family Risk, School Support for Prosocial Activities, Antisocial Peer Domain, Attitudes toward Risky Behavior, Risky Behavioral Tendencies. Four scales were not included in the aggregate index (Religiosity, Academic Performance, Personal Transitions and Mobility, and Early Initiation of Drug Use and Antisocial Behavior). The indices were related to each other and to adolescent problem behaviors (antisocial behavior and substance use) in expected ways. Results were consistent across waves of data. The construction of theoretically meaningful and empirically defensible aggregate measures of adolescent risk and protective factors is possible, although analyses of other data sets and further discussion are warranted. The use of aggregate indices by researchers and communities is recommended as a way to facilitate research and decision-making.

The second Cu(II)-binding site in a proton-rich environment interferes with the aggregation of amyloid-beta(1-40) into amyloid fibrils.

PubMed

Jun, Sangmi; Gillespie, Joel R; Shin, Byong-kyu; Saxena, Sunil

2009-11-17

The overall morphology and Cu(II) ion coordination for the aggregated amyloid-beta(1-40) [Abeta(1-40)] in N-ethylmorpholine (NEM) buffer are affected by Cu(II) ion concentration. This effect is investigated by transmission electron microscopy (TEM), atomic force microscopy (AFM), and electron spin echo envelope modulation (ESEEM) spectroscopy. At lower than equimolar concentrations of Cu(II) ions, fibrillar aggregates of Abeta(1-40) are observed. At these concentrations of Cu(II), the monomeric and fibrillar Abeta(1-40) ESEEM data indicate that the Cu(II) ion is coordinated by histidine residues. For aggregated Abeta(1-40) at a Cu(II):Abeta molar ratio of 2:1, TEM and AFM images show both linear fibrils and granular amorphous aggregates. The ESEEM spectra show that the multi-histidine coordination for Cu(II) ion partially breaks up and becomes exposed to water or exchangeable protons of the peptide at a higher Cu(II) concentration. Since the continuous-wave electron spin resonance results also suggest two copper-binding sites in Abeta(1-40), the proton ESEEM peak may arise from the second copper-binding site, which may be significantly involved in the formation of granular amorphous aggregates. Thioflavin T fluorescence and circular dichroism experiments also show that Cu(II) inhibits the formation of fibrils and induces a nonfibrillar beta-sheet conformation. Therefore, we propose that Abeta(1-40) has a second copper-binding site in a proton-rich environment and the second binding Cu(II) ion interferes with a conformational transition into amyloid fibrils, inducing the formation of granular amorphous aggregates.

Integrating Biogeography with Contemporary Niche Theory.

PubMed

Godsoe, William; Jankowski, Jill; Holt, Robert D; Gravel, Dominique

2017-07-01

There is no consensus on when biotic interactions impact the range limits of species. Starting from MacArthur's use of invasibility to understand how biotic interactions influence coexistence, here we examine how biotic interactions shape species distributions. Range limits emerge from how birth, death, and movement rates vary with the environment. We clarify some basic issues revolving around niche definitions, illustrated with simple resource-consumer theory. We then highlight two different avenues for linking community theory and range theory; the first based on calculating the effects of biotic interactions on range limits across scales and landscape configurations, and the second based on aggregate measures of diffuse interactions and network strength. We conclude with suggestions for a future research agenda. Copyright © 2017 Elsevier Ltd. All rights reserved.

Couple stress theory of curved rods. 2-D, high order, Timoshenko's and Euler-Bernoulli models

NASA Astrophysics Data System (ADS)

Zozulya, V. V.

2017-01-01

New models for plane curved rods based on linear couple stress theory of elasticity have been developed.2-D theory is developed from general 2-D equations of linear couple stress elasticity using a special curvilinear system of coordinates related to the middle line of the rod as well as special hypothesis based on assumptions that take into account the fact that the rod is thin. High order theory is based on the expansion of the equations of the theory of elasticity into Fourier series in terms of Legendre polynomials. First, stress and strain tensors, vectors of displacements and rotation along with body forces have been expanded into Fourier series in terms of Legendre polynomials with respect to a thickness coordinate.Thereby, all equations of elasticity including Hooke's law have been transformed to the corresponding equations for Fourier coefficients. Then, in the same way as in the theory of elasticity, a system of differential equations in terms of displacements and boundary conditions for Fourier coefficients have been obtained. Timoshenko's and Euler-Bernoulli theories are based on the classical hypothesis and the 2-D equations of linear couple stress theory of elasticity in a special curvilinear system. The obtained equations can be used to calculate stress-strain and to model thin walled structures in macro, micro and nano scales when taking into account couple stress and rotation effects.

Chaos in World Politics: A Reflection

NASA Astrophysics Data System (ADS)

Ferreira, Manuel Alberto Martins; Filipe, José António Candeias Bonito; Coelho, Manuel F. P.; Pedro, Isabel C.

Chaos theory results from natural scientists' findings in the area of non-linear dynamics. The importance of related models has increased in the last decades, by studying the temporal evolution of non-linear systems. In consequence, chaos is one of the concepts that most rapidly have been expanded in what research topics respects. Considering that relationships in non-linear systems are unstable, chaos theory aims to understand and to explain this kind of unpredictable aspects of nature, social life, the uncertainties, the nonlinearities, the disorders and confusion, scientifically it represents a disarray connection, but basically it involves much more than that. The existing close relationship between change and time seems essential to understand what happens in the basics of chaos theory. In fact, this theory got a crucial role in the explanation of many phenomena. The relevance of this kind of theories has been well recognized to explain social phenomena and has permitted new advances in the study of social systems. Chaos theory has also been applied, particularly in the context of politics, in this area. The goal of this chapter is to make a reflection on chaos theory - and dynamical systems such as the theories of complexity - in terms of the interpretation of political issues, considering some kind of events in the political context and also considering the macro-strategic ideas of states positioning in the international stage.

Approaching the strong coupling limit in single plasmonic nanorods interacting with J-aggregates

PubMed Central

Zengin, Gülis; Johansson, Göran; Johansson, Peter; Antosiewicz, Tomasz J.; Käll, Mikael; Shegai, Timur

2013-01-01

We studied scattering and extinction of individual silver nanorods coupled to the J-aggregate form of the cyanine dye TDBC as a function of plasmon – exciton detuning. The measured single particle spectra exhibited a strongly suppressed scattering and extinction rate at wavelengths corresponding to the J-aggregate absorption band, signaling strong interaction between the localized surface plasmon of the metal core and the exciton of the surrounding molecular shell. In the context of strong coupling theory, the observed “transparency dips” correspond to an average vacuum Rabi splitting of the order of 100 meV, which approaches the plasmon dephasing rate and, thereby, the strong coupling limit for the smallest investigated particles. These findings could pave the way towards ultra-strong light-matter interaction on the nanoscale and active plasmonic devices operating at room temperature. PMID:24166360

Enhanced emission of nile red fluorescent nanoparticles embedded in hybrid sol-gel glasses.

PubMed

Ferrer, Maria L; del Monte, Francisco

2005-01-13

Highly fluorescent Nile Red (NR) nanoparticles embedded in a hybrid sol-gel glass are reported. The crystallite growth within the confined system created by the porous hybrid matrix results in NR nanoparticles of averaged dimensions below 36 nm. The preparation process allows for the control of both the conformation adopted by single NR molecules prior to aggregation (e.g., near planar) and the configuration of the aggregates (e.g., oblique with phi < 54.7 degrees) prior to their assembly in the supramolecular architecture which ultimately forms the nanoparticles. The full preservation of the fluorescent configuration of the aggregates in the nanoparticles is confirmed through the application of the exciton theory, and it is responsible for the significant increase of the fluorescence emission intensity (e.g., up to 525- and 70-fold as compared to that obtained for single NR molecules embedded in pure and hybrid silica glasses, respectively).

Enhanced Detectability of Community Structure in Multilayer Networks through Layer Aggregation.

PubMed

Taylor, Dane; Shai, Saray; Stanley, Natalie; Mucha, Peter J

2016-06-03

Many systems are naturally represented by a multilayer network in which edges exist in multiple layers that encode different, but potentially related, types of interactions, and it is important to understand limitations on the detectability of community structure in these networks. Using random matrix theory, we analyze detectability limitations for multilayer (specifically, multiplex) stochastic block models (SBMs) in which L layers are derived from a common SBM. We study the effect of layer aggregation on detectability for several aggregation methods, including summation of the layers' adjacency matrices for which we show the detectability limit vanishes as O(L^{-1/2}) with increasing number of layers, L. Importantly, we find a similar scaling behavior when the summation is thresholded at an optimal value, providing insight into the common-but not well understood-practice of thresholding pairwise-interaction data to obtain sparse network representations.

A Supramolecular Ice Growth Inhibitor.

PubMed

Drori, Ran; Li, Chao; Hu, Chunhua; Raiteri, Paolo; Rohl, Andrew L; Ward, Michael D; Kahr, Bart

2016-10-12

Safranine O, a synthetic dye, was found to inhibit growth of ice at millimolar concentrations with an activity comparable to that of highly evolved antifreeze glycoproteins. Safranine inhibits growth of ice crystals along the crystallographic a-axis, resulting in bipyramidal needles extended along the <0001> directions as well as and plane-specific thermal hysteresis (TH) activity. The interaction of safranine with ice is reversible, distinct from the previously reported behavior of antifreeze proteins. Spectroscopy and molecular dynamics indicate that safranine forms aggregates in aqueous solution at micromolar concentrations. Metadynamics simulations and aggregation theory suggested that as many as 30 safranine molecules were preorganized in stacks at the concentrations where ice growth inhibition was observed. The simulations and single-crystal X-ray structure of safranine revealed regularly spaced amino and methyl substituents in the aggregates, akin to the ice-binding site of antifreeze proteins. Collectively, these observations suggest an unusual link between supramolecular assemblies of small molecules and functional proteins.

Chemical energy in cold-cloud aggregates - The origin of meteoritic chondrules

NASA Technical Reports Server (NTRS)

Clayton, D. D.

1980-01-01

If interstellar particles and molecules accumulate into larger particles during the collapse of a cold cloud, the resulting aggregates contain a large store of internal chemical energy. It is here proposed that subsequent warming of these accumulates leads to a thermal runaway when exothermic chemical reactions begin within the aggregate. These, after cooling, are the crystalline chondrules found so abundantly within chondritic meteorites. Chemical energy can also heat meteoritic parent bodies of any size, and both thermal metamorphism and certain molten meteorites are proposed to have occurred in this way. If this new theory is correct, (1) the model of chemical condensation in a hot gaseous solar system is eliminated, and (2) a new way of studying the chemical evolution of the interstellar medium has been found. A simple dust experiment on a comet flyby is proposed to test some features of this controversy.

Attractive interactions between reverse aggregates and phase separation in concentrated malonamide extractant solutions

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

Erlinger, C.; Belloni, L.; Zemb, T.

1999-03-30

Using small angle X-ray scattering, conductivity, and phase behavior determination, the authors show that concentrated solutions of malonamide extractants, dimethyldibutyltetradecylmalonamide (DMDBTDMA), are organized in reverse oligomeric aggregates which have many features in common with reverse micelles. The aggregation numbers of these reverse globular aggregates as well as their interaction potential are determined from absolute scattering curves. An attractive interaction is responsible for the demixing of the oil phase when in equilibrium with excess oil. Prediction of conductivity as well as the formation conditions for the third phase is possible using standard liquid theory applied to the extractant aggregates. The interactions,more » modeled with the sticky sphere model proposed by Baster, are shown to be due to steric interactions resulting from the hydrophobic tails of the extractant molecule and van der Waals forces between the highly polarizable water core of the reverse micelles. The attractive interaction in the oil phase, equilibrated with water, is determined as a function of temperature, extractant molecule concentration, and proton and neodynium(III) cation concentration. It is shown that van der Waals interactions, with an effective Hamaker constant of 3kT, quantitatively explain the behavior of DMDBTDMA in n-dodecane in terms of scattering as well as phase stability limits.« less

[Photometric determination of captopril using label-free silver nanoparticles].

PubMed

Li, Rui; Yan, Hong-Tao

2013-04-01

A simple, rapid and sensitive colorimetric method for the determination of captopril is presented in the present paper. It is based on the fact that captopril can induce the aggregation of AgNPs, thereby resulting in their yellow-to-red color change and the absorbance decrease at lambda395 nm. The mechanism of the aggregation effect was discussed in detail. Under the optimized conditions, the linear range of determination of captopril was 1-35 microg x mL(-1) with correction coefficient 0.998 4. The detection limit of the method for captopril was 0.7 microg x mL(-1). The method has been applied to the determination of captopril in tablets with satisfactory result.

A Lagrangian effective field theory

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

Vlah, Zvonimir; White, Martin; Aviles, Alejandro

We have continued the development of Lagrangian, cosmological perturbation theory for the low-order correlators of the matter density field. We provide a new route to understanding how the effective field theory (EFT) of large-scale structure can be formulated in the Lagrandian framework and a new resummation scheme, comparing our results to earlier work and to a series of high-resolution N-body simulations in both Fourier and configuration space. The `new' terms arising from EFT serve to tame the dependence of perturbation theory on small-scale physics and improve agreement with simulations (though with an additional free parameter). We find that all ofmore » our models fare well on scales larger than about two to three times the non-linear scale, but fail as the non-linear scale is approached. This is slightly less reach than has been seen previously. At low redshift the Lagrangian model fares as well as EFT in its Eulerian formulation, but at higher z the Eulerian EFT fits the data to smaller scales than resummed, Lagrangian EFT. Furthermore, all the perturbative models fare better than linear theory.« less

A Lagrangian effective field theory

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

Vlah, Zvonimir; White, Martin; Aviles, Alejandro, E-mail: zvlah@stanford.edu, E-mail: mwhite@berkeley.edu, E-mail: aviles@berkeley.edu

We have continued the development of Lagrangian, cosmological perturbation theory for the low-order correlators of the matter density field. We provide a new route to understanding how the effective field theory (EFT) of large-scale structure can be formulated in the Lagrandian framework and a new resummation scheme, comparing our results to earlier work and to a series of high-resolution N-body simulations in both Fourier and configuration space. The 'new' terms arising from EFT serve to tame the dependence of perturbation theory on small-scale physics and improve agreement with simulations (though with an additional free parameter). We find that all ofmore » our models fare well on scales larger than about two to three times the non-linear scale, but fail as the non-linear scale is approached. This is slightly less reach than has been seen previously. At low redshift the Lagrangian model fares as well as EFT in its Eulerian formulation, but at higher z the Eulerian EFT fits the data to smaller scales than resummed, Lagrangian EFT. All the perturbative models fare better than linear theory.« less

A Lagrangian effective field theory

DOE PAGES

Vlah, Zvonimir; White, Martin; Aviles, Alejandro

2015-09-02

We have continued the development of Lagrangian, cosmological perturbation theory for the low-order correlators of the matter density field. We provide a new route to understanding how the effective field theory (EFT) of large-scale structure can be formulated in the Lagrandian framework and a new resummation scheme, comparing our results to earlier work and to a series of high-resolution N-body simulations in both Fourier and configuration space. The `new' terms arising from EFT serve to tame the dependence of perturbation theory on small-scale physics and improve agreement with simulations (though with an additional free parameter). We find that all ofmore » our models fare well on scales larger than about two to three times the non-linear scale, but fail as the non-linear scale is approached. This is slightly less reach than has been seen previously. At low redshift the Lagrangian model fares as well as EFT in its Eulerian formulation, but at higher z the Eulerian EFT fits the data to smaller scales than resummed, Lagrangian EFT. Furthermore, all the perturbative models fare better than linear theory.« less

Semigroup theory and numerical approximation for equations in linear viscoelasticity

NASA Technical Reports Server (NTRS)

Fabiano, R. H.; Ito, K.

1990-01-01

A class of abstract integrodifferential equations used to model linear viscoelastic beams is investigated analytically, applying a Hilbert-space approach. The basic equation is rewritten as a Cauchy problem, and its well-posedness is demonstrated. Finite-dimensional subspaces of the state space and an estimate of the state operator are obtained; approximation schemes for the equations are constructed; and the convergence is proved using the Trotter-Kato theorem of linear semigroup theory. The actual convergence behavior of different approximations is demonstrated in numerical computations, and the results are presented in tables.

Novel pH-Sensitive Cationic Lipids with Linear Ortho Ester Linkers for Gene Delivery

PubMed Central

Chen, Haigang; Zhang, Huizhen; Thor, Der; Rahimian, Roshanak; Guo, Xin

2012-01-01

In an effort to develop pH-sensitive lipoplexes for efficient gene delivery, we report three novel cationic lipids containing a linear ortho ester linker that conjugates either the headgroup (Type I) or one hydrocarbon chain (Type II) with the rest of the lipid molecule. The cationic lipids carry either an iodide or a chloride counterion. Compared to our previously reported cyclic ortho ester linker, the linear ortho ester linker facilitated the construction of cationic liposomes and lipoplexes with different helper lipids. The chloride counterion not only facilitated the hydration of the lipid films during liposome construction, but also enhanced the hydrolysis of the ortho ester linker in the lipoplexes. After incubation at endosomal pH 5.5, the Type I lipoplexes aggregated and destabilized the endosome-mimicking model liposomes, but not the Type II lipoplexes. The helper lipids (DOPE or cholesterol) of the lipoplexes enhanced the pH-sensitivity of the Type I lipoplexes. In CV-1 cells (monkey kidney fibroblast), the Type I ortho ester-based lipoplexes, especially those with the chloride counterion, significantly improved the gene transfection efficiency, in some cases by more than 100 fold, compared to their pH-insensitive counterparts consisting of DOTAP. The gene transfection efficiency of the ortho ester-based lipoplexes was well correlated with their rate of aggregation and membrane destabilization in response to the endosomal pH 5.5. PMID:22480493

For the depolarization of linearly polarized light by smoke particles

NASA Astrophysics Data System (ADS)

Sun, Wenbo; Liu, Zhaoyan; Videen, Gorden; Fu, Qiang; Muinonen, Karri; Winker, David M.; Lukashin, Constantine; Jin, Zhonghai; Lin, Bing; Huang, Jianping

2013-06-01

The CALIPSO satellite mission consistently measures volume (including molecule and particulate) light depolarization ratio of ∼2% for smoke, compared to ∼1% for marine aerosols and ∼15% for dust. The observed ∼2% smoke depolarization ratio comes primarily from the nonspherical habits of particles in the smoke at certain particle sizes. In this study, the depolarization of linearly polarized light by small sphere aggregates and irregular Gaussian-shaped particles is studied, to reveal the physics between the depolarization of linearly polarized light and smoke aerosol shape and size. It is found that the depolarization ratio curves of Gaussian-deformed spheres are very similar to sphere aggregates in terms of scattering-angle dependence and particle size parameters when particle size parameter is smaller than 1.0π. This demonstrates that small randomly oriented nonspherical particles have some common depolarization properties as functions of scattering angle and size parameter. This may be very useful information for characterization and active remote sensing of smoke particles using polarized light. We also show that the depolarization ratio from the CALIPSO measurements could be used to derive smoke aerosol particle size. From the calculation results for light depolarization ratio by Gaussian-shaped smoke particles and the CALIPSO-measured light depolarization ratio of ∼2% for smoke, the mean particle size of South-African smoke is estimated to be about half of the 532nm wavelength of the CALIPSO lidar.

Integrated ZnO nanoparticles on paper-based microfluidic: toward efficient analytical device for glucose detection based on impedance and FTIR measurement

NASA Astrophysics Data System (ADS)

Yuwono, Rio Akbar; Izdiharruddin, Mokhammad Fahmi; Wahyuono, Ruri Agung

2016-11-01

Microfluidic paper-based analytical devices decorated with ZnO nanospherical (nanoSPs) aggregates (ZnO-μPAD) for glucose detection have been fabricated. ZnO nanoSPs were prepared by wet chemical synthesis and integrated on the optimized geometry of ZnO-μPAD has 0.2 and 0.4 mm of channel width and length, respectively. Glucose detection measurements were based on electrochemical and infrared transmission measurements. The glucose concentrations were adjusted as 5, 6.5, and 9 mmol, i.e. typical glucose level for normal, pre-diabetes and diabetes, in a mixture of ringer lactate as simulated biological fluid and red blood cells. ZnO nanoSPs in this study possess an average aggregate size of 160 nm formed by clustered 18 nm crystallite size and ordered porous matrix as well as a surface area of 15 m2·g-1.The separation process of the glucose sample on ZnO-μPAD requires approximately 45 s. The glucose detection results show that both electrochemical-based and FTIR-based measurements perform a linear measurement system (R2 of 0.81 to 0.99) with a relatively high sensitivity. A linearly decreasing impedance spanning from 2.2 - 0.6 Ohm and linearly increasing ΔIR transmission spanning from 3 - 19% are obtained for glucose level ranging from 5 - 9 mmol.

Reliable Adaptive Data Aggregation Route Strategy for a Trade-off between Energy and Lifetime in WSNs

PubMed Central

Guo, Wenzhong; Hong, Wei; Zhang, Bin; Chen, Yuzhong; Xiong, Naixue

2014-01-01

Mobile security is one of the most fundamental problems in Wireless Sensor Networks (WSNs). The data transmission path will be compromised for some disabled nodes. To construct a secure and reliable network, designing an adaptive route strategy which optimizes energy consumption and network lifetime of the aggregation cost is of great importance. In this paper, we address the reliable data aggregation route problem for WSNs. Firstly, to ensure nodes work properly, we propose a data aggregation route algorithm which improves the energy efficiency in the WSN. The construction process achieved through discrete particle swarm optimization (DPSO) saves node energy costs. Then, to balance the network load and establish a reliable network, an adaptive route algorithm with the minimal energy and the maximum lifetime is proposed. Since it is a non-linear constrained multi-objective optimization problem, in this paper we propose a DPSO with the multi-objective fitness function combined with the phenotype sharing function and penalty function to find available routes. Experimental results show that compared with other tree routing algorithms our algorithm can effectively reduce energy consumption and trade off energy consumption and network lifetime. PMID:25215944

Probing size-dependent electrokinetics of hematite aggregates

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

Kedra-Królik, Karolina; Rosso, Kevin M.; Zarzycki, Piotr

Aqueous particle suspensions of many kinds are stabilized by the electrostatic potential developed at their surfaces from reaction with water and ions. An important and less well understood aspect of this stabilization is the dependence of the electrostatic surface potential on particle size. Surface electrostatics are typically probed by measuring particle electrophoretic mobilities and quantified in the electrokinetic potential (f), using commercially available Zeta Potential Analyzers (ZPA). Even though ZPAs provide frequency-spectra (histograms) of electrophoretic mobility and hydrodynamic diameter, typically only the maximal-intensity values are reported, despite the information in the remainder of the spectra. Here we propose a mappingmore » procedure that inter-correlates these histograms to extract additional insight, in this case to probe particle size-dependent electrokinetics. Our method is illustrated for a suspension of prototypical iron (III) oxide (hematite, a-Fe2O3). We found that the electrophoretic mobility and f-potential are a linear function of the aggregate size. By analyzing the distribution of surface site types as a function of aggregate size we show that site coordination increases with increasing aggregate diameter. This observation explains why the acidity of the iron oxide particles decreases with increasing particle size.« less

Aggregation of LoD 1 building models as an optimization problem

NASA Astrophysics Data System (ADS)

Guercke, R.; Götzelmann, T.; Brenner, C.; Sester, M.

3D city models offered by digital map providers typically consist of several thousands or even millions of individual buildings. Those buildings are usually generated in an automated fashion from high resolution cadastral and remote sensing data and can be very detailed. However, not in every application such a high degree of detail is desirable. One way to remove complexity is to aggregate individual buildings, simplify the ground plan and assign an appropriate average building height. This task is computationally complex because it includes the combinatorial optimization problem of determining which subset of the original set of buildings should best be aggregated to meet the demands of an application. In this article, we introduce approaches to express different aspects of the aggregation of LoD 1 building models in the form of Mixed Integer Programming (MIP) problems. The advantage of this approach is that for linear (and some quadratic) MIP problems, sophisticated software exists to find exact solutions (global optima) with reasonable effort. We also propose two different heuristic approaches based on the region growing strategy and evaluate their potential for optimization by comparing their performance to a MIP-based approach.

Meeting in New Orleans: An Assessment of the Fate of Metal Oxide Nanomaterials in Porous Media

EPA Science Inventory

This work assesses potential aqueous environmental metal oxide nanomaterial self-aggregation through the application of recent developments in surface complexation theory with historical DLVO procedures. Findings include: 1) nanomaterials with a Hamaker constant as large as 1E-1...

Decentralization, stabilization, and estimation of large-scale linear systems

NASA Technical Reports Server (NTRS)

Siljak, D. D.; Vukcevic, M. B.

1976-01-01

In this short paper we consider three closely related aspects of large-scale systems: decentralization, stabilization, and estimation. A method is proposed to decompose a large linear system into a number of interconnected subsystems with decentralized (scalar) inputs or outputs. The procedure is preliminary to the hierarchic stabilization and estimation of linear systems and is performed on the subsystem level. A multilevel control scheme based upon the decomposition-aggregation method is developed for stabilization of input-decentralized linear systems Local linear feedback controllers are used to stabilize each decoupled subsystem, while global linear feedback controllers are utilized to minimize the coupling effect among the subsystems. Systems stabilized by the method have a tolerance to a wide class of nonlinearities in subsystem coupling and high reliability with respect to structural perturbations. The proposed output-decentralization and stabilization schemes can be used directly to construct asymptotic state estimators for large linear systems on the subsystem level. The problem of dimensionality is resolved by constructing a number of low-order estimators, thus avoiding a design of a single estimator for the overall system.

Density functional theory and Raman spectroscopy applied to structure and vibrational mode analysis of 1,1',3,3'-tetraethyl-5,5',6,6'-tetrachloro- benzimidazolocarbocyanine iodide and its aggregate.

PubMed

Aydin, Metin; Dede, Özge; Akins, Daniel L

2011-02-14

We have measured electronic and Raman scattering spectra of 1,1',3,3'-tetraethyl-5,5',6,6'-tetrachloro-benzimidazolocarbocyanine iodide (TTBC) in various environments, and we have calculated the ground state geometric and spectroscopic properties of the TTBC cation in the gas and solution phases (e.g., bond distances, bond angles, charge distributions, and Raman vibrational frequencies) using density functional theory. Our structure calculations have shown that the ground state equilibrium structure of a cis-conformer lies ∼200 cm(-1) above that of a trans-conformer and both conformers have C(2) symmetry. Calculated electronic transitions indicate that the difference between the first transitions of the two conformers is about 130 cm(-1). Raman spectral assignments of monomeric- and aggregated-TTBC cations have been aided by density functional calculations at the same level of the theory. Vibrational mode analyses of the calculated Raman spectra reveal that the observed Raman bands above 700 cm(-1) are mainly associated with the in-plane deformation of the benzimidazolo moieties, while bands below 700 cm(-1) are associated with out-of-plane deformations of the benzimidazolo moieties. We have also found that for the nonresonance excited experimental Raman spectrum of aggregated-TTBC cation, the Raman bands in the higher-frequency region are enhanced compared with those in the nonresonance spectrum of the monomeric cation. For the experimental Raman spectrum of the aggregate under resonance excitation, however, we find new Raman features below 600 cm(-1), in addition to a significantly enhanced Raman peak at 671 cm(-1) that are associated with out-of-plane distortions. Also, time-dependent density functional theory calculations suggest that the experimentally observed electronic transition at ∼515 nm (i.e., 2.41 eV) in the absorption spectrum of the monomeric-TTBC cation predominantly results from the π → π∗ transition. Calculations are further interpreted as indicating that the observed shoulder in the absorption spectrum of TTBC in methanol at 494 nm (i.e., 2.51 eV) likely results from the ν(") = 0 → ν' = 1 transition and is not due to another electronic transition of the trans-conformer-despite the fact that measured and calculated NMR results (not provided here) support the prospect that the shoulder might be attributable to the 0-0 band of the cis-conformer.

Geometric Theory of Reduction of Nonlinear Control Systems

NASA Astrophysics Data System (ADS)

Elkin, V. I.

2018-02-01

The foundations of a differential geometric theory of nonlinear control systems are described on the basis of categorical concepts (isomorphism, factorization, restrictions) by analogy with classical mathematical theories (of linear spaces, groups, etc.).

Development as a Complex Process of Change: Conception and Analysis of Projects, Programs and Policies

ERIC Educational Resources Information Center

Nordtveit, Bjorn Harald

2010-01-01

Development is often understood as a linear process of change towards Western modernity, a vision that is challenged by this paper, arguing that development efforts should rather be connected to the local stakeholders' sense of their own development. Further, the paper contends that Complexity Theory is more effective than a linear theory of…

The generic world-sheet action of irrational conformal field theory

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

Clubok, K.; Halpern, M.B.

1995-05-01

We review developments in the world-sheet action formulation of the generic irrational conformal field theory, including the non-linear and the linearized forms of the action. These systems form a large class of spin-two gauged WZW actions which exhibit exotic gravitational couplings. Integrating out the gravitational field, we also speculate on a connection with sigma models.

Linear dispersion relation for the mirror instability in context of the gyrokinetic theory

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

Porazik, Peter; Johnson, Jay R.

2013-10-15

The linear dispersion relation for the mirror instability is discussed in context of the gyrokinetic theory. The objective is to provide a coherent view of different kinetic approaches used to derive the dispersion relation. The method based on gyrocenter phase space transformations is adopted in order to display the origin and ordering of various terms.

Incompressible boundary-layer stability analysis of LFC experimental data for sub-critical Mach numbers. M.S. Thesis

NASA Technical Reports Server (NTRS)

Berry, S. A.

1986-01-01

An incompressible boundary-layer stability analysis of Laminar Flow Control (LFC) experimental data was completed and the results are presented. This analysis was undertaken for three reasons: to study laminar boundary-layer stability on a modern swept LFC airfoil; to calculate incompressible design limits of linear stability theory as applied to a modern airfoil at high subsonic speeds; and to verify the use of linear stability theory as a design tool. The experimental data were taken from the slotted LFC experiment recently completed in the NASA Langley 8-Foot Transonic Pressure Tunnel. Linear stability theory was applied and the results were compared with transition data to arrive at correlated n-factors. Results of the analysis showed that for the configuration and cases studied, Tollmien-Schlichting (TS) amplification was the dominating disturbance influencing transition. For these cases, incompressible linear stability theory correlated with an n-factor for TS waves of approximately 10 at transition. The n-factor method correlated rather consistently to this value despite a number of non-ideal conditions which indicates the method is useful as a design tool for advanced laminar flow airfoils.

Computation of Nonlinear Hydrodynamic Loads on Floating Wind Turbines Using Fluid-Impulse Theory: Preprint

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

Kok Yan Chan, G.; Sclavounos, P. D.; Jonkman, J.

2015-04-02

A hydrodynamics computer module was developed for the evaluation of the linear and nonlinear loads on floating wind turbines using a new fluid-impulse formulation for coupling with the FAST program. The recently developed formulation allows the computation of linear and nonlinear loads on floating bodies in the time domain and avoids the computationally intensive evaluation of temporal and nonlinear free-surface problems and efficient methods are derived for its computation. The body instantaneous wetted surface is approximated by a panel mesh and the discretization of the free surface is circumvented by using the Green function. The evaluation of the nonlinear loadsmore » is based on explicit expressions derived by the fluid-impulse theory, which can be computed efficiently. Computations are presented of the linear and nonlinear loads on the MIT/NREL tension-leg platform. Comparisons were carried out with frequency-domain linear and second-order methods. Emphasis was placed on modeling accuracy of the magnitude of nonlinear low- and high-frequency wave loads in a sea state. Although fluid-impulse theory is applied to floating wind turbines in this paper, the theory is applicable to other offshore platforms as well.« less

Direct comparisons of X-ray scattering and atomistic molecular dynamics simulations for precise acid copolymers and ionomers

DOE PAGES

Buitrago, C. Francisco; Bolintineanu, Dan; Seitz, Michelle E.; ...

2015-02-09

Designing acid- and ion-containing polymers for optimal proton, ion, or water transport would benefit profoundly from predictive models or theories that relate polymer structures with ionomer morphologies. Recently, atomistic molecular dynamics (MD) simulations were performed to study the morphologies of precise poly(ethylene-co-acrylic acid) copolymer and ionomer melts. Here, we present the first direct comparisons between scattering profiles, I(q), calculated from these atomistic MD simulations and experimental X-ray data for 11 materials. This set of precise polymers has spacers of exactly 9, 15, or 21 carbons between acid groups and has been partially neutralized with Li, Na, Cs, or Zn. Inmore » these polymers, the simulations at 120 °C reveal ionic aggregates with a range of morphologies, from compact, isolated aggregates (type 1) to branched, stringy aggregates (type 2) to branched, stringy aggregates that percolate through the simulation box (type 3). Excellent agreement is found between the simulated and experimental scattering peak positions across all polymer types and aggregate morphologies. The shape of the amorphous halo in the simulated I(q) profile is in excellent agreement with experimental I(q). We found that the modified hard-sphere scattering model fits both the simulation and experimental I(q) data for type 1 aggregate morphologies, and the aggregate sizes and separations are in agreement. Given the stringy structure in types 2 and 3, we develop a scattering model based on cylindrical aggregates. Both the spherical and cylindrical scattering models fit I(q) data from the polymers with type 2 and 3 aggregates equally well, and the extracted aggregate radii and inter- and intra-aggregate spacings are in agreement between simulation and experiment. Furthermore, these dimensions are consistent with real-space analyses of the atomistic MD simulations. By combining simulations and experiments, the ionomer scattering peak can be associated with the average distance between branches of type 2 or 3 aggregates. Furthermore, this direct comparison of X-ray scattering data to the atomistic MD simulations is a substantive step toward providing a comprehensive, predictive model for ionomer morphology, gives substantial support for this atomistic MD model, and provides new credibility to the presence of stringy, branched, and percolated ionic aggregates in precise ionomer melts.« less

Mathematical model of macrophage-facilitated breast cancer cells invasion.

PubMed

Knútsdóttir, Hildur; Pálsson, Eirikur; Edelstein-Keshet, Leah

2014-09-21

Mortality from breast cancer stems from its tendency to invade into surrounding tissues and organs. Experiments have shown that this metastatic process is facilitated by macrophages in a short-ranged chemical signalling loop. Macrophages secrete epidermal growth factor, EGF, and respond to the colony stimulating factor 1, CSF-1. Tumor cells secrete CSF-1 and respond to EGF. In this way, the cells coordinate aggregation and cooperative migration. Here we investigate this process in a model for in vitro interactions using two distinct but related mathematical approaches. In the first, we analyze and simulate a set of partial differential equations to determine conditions for aggregation. In the second, we use a cell-based discrete 3D simulation to follow the fates and motion of individual cells during aggregation. Linear stability analysis of the PDE model reveals that decreasing the chemical secretion, chemotaxis coefficients or density of cells or increasing the chemical degradation in the model could eliminate the spontaneous aggregation of cells. Simulations with the discrete model show that the ratio between tumor cells and macrophages in aggregates increases when the EGF secretion parameter is increased. The results also show how CSF-1/CSF-1R autocrine signalling in tumor cells affects the ratio between the two cell types. Comparing the continuum results with simulations of a discrete cell-based model, we find good qualitative agreement. Copyright © 2014 Elsevier Ltd. All rights reserved.

Curcumin Binding to Beta Amyloid: A Computational Study.

PubMed

Rao, Praveen P N; Mohamed, Tarek; Teckwani, Karan; Tin, Gary

2015-10-01

Curcumin, a chemical constituent present in the spice turmeric, is known to prevent the aggregation of amyloid peptide implicated in the pathophysiology of Alzheimer's disease. While curcumin is known to bind directly to various amyloid aggregates, no systematic investigations have been carried out to understand its ability to bind to the amyloid aggregates including oligomers and fibrils. In this study, we constructed computational models of (i) Aβ hexapeptide (16) KLVFFA(21) octamer steric-zipper β-sheet assembly and (ii) full-length Aβ fibril β-sheet assembly. Curcumin binding in these models was evaluated by molecular docking and molecular dynamics (MD) simulation studies. In both the models, curcumin was oriented in a linear extended conformation parallel to fiber axis and exhibited better stability in the Aβ hexapeptide (16) KLVFFA(21) octamer steric-zipper model (Ebinding  = -10.05 kcal/mol) compared to full-length Aβ fibril model (Ebinding  = -3.47 kcal/mol). Analysis of MD trajectories of curcumin bound to full-length Aβ fibril shows good stability with minimum Cα-atom RMSD shifts. Interestingly, curcumin binding led to marked fluctuations in the (14) HQKLVFFA(21) region that constitute the fibril spine with RMSF values ranging from 1.4 to 3.6 Å. These results show that curcumin binding to Aβ shifts the equilibrium in the aggregation pathway by promoting the formation of non-toxic aggregates. © 2015 John Wiley & Sons A/S.

Exciton Level Structure and Dynamics in Tubular Porphyrin Aggregates

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

Wan, Yan; Stradomska, Anna; Fong, Sarah

2014-10-30

We present an account of the optical properties of the Frenkel excitons in self-assembled porphyrin tubular aggregates that represent an analog to natural photosynthetic antennae. Using a combination of ultrafast optical spectroscopy and stochastic exciton modeling, we address both linear and nonlinear exciton absorption, relaxation pathways, and the role of disorder. The static disorder-dominated absorption and fluorescence line widths show little temperature dependence for the lowest excitons (Q band), which we successfully simulate using a model of exciton scattering on acoustic phonons in the host matrix. Temperature-dependent transient absorption of and fluorescence from the excitons in the tubular aggregates aremore » marked by nonexponential decays with time scales ranging from a few picoseconds to a few nanoseconds, reflecting complex relaxation mechanisms. Combined experimental and theoretical investigations indicate that nonradiative pathways induced by traps and defects dominate the relaxation of excitons in the tubular aggregates. We model the pumpprobe spectra and ascribe the excited-state absorption to transitions from one-exciton states to a manifold of mixed one- and two-exciton states. Our results demonstrate that while the delocalized Frenkel excitons (over 208 (1036) molecules for the optically dominant excitons in the Q (B) band) resulting from strong intermolecular coupling in these aggregates could potentially facilitate efficient energy transfer, fast relaxation due to defects and disorder probably present a major limitation for exciton transport over large distances.« less

Robust root clustering for linear uncertain systems using generalized Lyapunov theory

NASA Technical Reports Server (NTRS)

Yedavalli, R. K.

1993-01-01

Consideration is given to the problem of matrix root clustering in subregions of a complex plane for linear state space models with real parameter uncertainty. The nominal matrix root clustering theory of Gutman & Jury (1981) using the generalized Liapunov equation is extended to the perturbed matrix case, and bounds are derived on the perturbation to maintain root clustering inside a given region. The theory makes it possible to obtain an explicit relationship between the parameters of the root clustering region and the uncertainty range of the parameter space.

Synthesis of 1D Bragg gratings by a layer-aggregation method.

PubMed

Capmany, José; Muriel, Miguel A; Sales, Salvador

2007-08-15

We present what we believe to be a novel method for the synthesis of complex 1D (fiber and waveguide) Bragg gratings, which is based on an impedance reconstruction layer aggregation technique. The main advantage brought by the method is the possibility of synthesizing structures containing defects or discontinuities of the size of the local period, a feature that is not possible with prior reported methods. In addition, this enhanced spatial resolution allows the synthesis of very strong fiber Bragg grating devices providing convergent solutions. The method directly renders the refractive index profile n(z) as it does not rely on the coupled-mode theory.

Assembly of Colloidal Aggregates by Electrohydrodynamic Flow: Kinetic Experiments and Scaling Analysis

NASA Technical Reports Server (NTRS)

Ristenpart, W. D.; Aksay, I. A.; Saville, D. A.

2004-01-01

Electric fields generate transverse flows near electrodes that sweep colloidal particles into densely packed assemblies. We interpret this behavior in terms of electrohydrodynamic motion stemming from distortions of the field by the particles that alter the body force distribution in the electrode charge polarization layer. A scaling analysis shows how the action of the applied electric field generates fluid motion that carries particles toward one another. The resulting fluid velocity is proportional to the square of the applied field and decreases inversely with frequency. Experimental measurements of the particle aggregation rate accord with the electrohydrodynamic theory over a wide range of voltages and frequencies.

Reconstruction of real-space linear matter power spectrum from multipoles of BOSS DR12 results

NASA Astrophysics Data System (ADS)

Lee, Seokcheon

2018-02-01

Recently, the power spectrum (PS) multipoles using the Baryon Oscillation Spectroscopic Survey (BOSS) Data Release 12 (DR12) sample are analyzed [1]. The based model for the analysis is the so-called TNS quasi-linear model and the analysis provides the multipoles up to the hexadecapole [2]. Thus, one might be able to recover the real-space linear matter PS by using the combinations of multipoles to investigate the cosmology [3]. We provide the analytic form of the ratio of quadrupole (hexadecapole) to monopole moments of the quasi-linear PS including the Fingers-of-God (FoG) effect to recover the real-space PS in the linear regime. One expects that observed values of the ratios of multipoles should be consistent with those of the linear theory at large scales. Thus, we compare the ratios of multipoles of the linear theory, including the FoG effect with the measured values. From these, we recover the linear matter power spectra in real-space. These recovered power spectra are consistent with the linear matter power spectra.

Simple estimation of linear 1+1 D tsunami run-up

NASA Astrophysics Data System (ADS)

Fuentes, M.; Campos, J. A.; Riquelme, S.

2016-12-01

An analytical expression is derived concerning the linear run-up for any given initial wave generated over a sloping bathymetry. Due to the simplicity of the linear formulation, complex transformations are unnecessay, because the shoreline motion is directly obtained in terms of the initial wave. This analytical result not only supports maximum run-up invariance between linear and non-linear theories, but also the time evolution of shoreline motion and velocity. The results exhibit good agreement with the non-linear theory. The present formulation also allows computing the shoreline motion numerically from a customised initial waveform, including non-smooth functions. This is useful for numerical tests, laboratory experiments or realistic cases in which the initial disturbance might be retrieved from seismic data rather than using a theoretical model. It is also shown that the real case studied is consistent with the field observations.

Embeddings of the "New Massive Gravity"

NASA Astrophysics Data System (ADS)

Dalmazi, D.; Mendonça, E. L.

2016-07-01

Here we apply different types of embeddings of the equations of motion of the linearized "New Massive Gravity" in order to generate alternative and even higher-order (in derivatives) massive gravity theories in D=2+1. In the first part of the work we use the Weyl symmetry as a guiding principle for the embeddings. First we show that a Noether gauge embedding of the Weyl symmetry leads to a sixth-order model in derivatives with either a massive or a massless ghost, according to the chosen overall sign of the theory. On the other hand, if the Weyl symmetry is implemented by means of a Stueckelberg field we obtain a new scalar-tensor model for massive gravitons. It is ghost-free and Weyl invariant at the linearized level around Minkowski space. The model can be nonlinearly completed into a scalar field coupled to the NMG theory. The elimination of the scalar field leads to a nonlocal modification of the NMG. In the second part of the work we prove to all orders in derivatives that there is no local, ghost-free embedding of the linearized NMG equations of motion around Minkowski space when written in terms of one symmetric tensor. Regarding that point, NMG differs from the Fierz-Pauli theory, since in the latter case we can replace the Einstein-Hilbert action by specific f(R,Box R) generalizations and still keep the theory ghost-free at the linearized level.

Linear spin-2 fields in most general backgrounds

NASA Astrophysics Data System (ADS)

Bernard, Laura; Deffayet, Cédric; Schmidt-May, Angnis; von Strauss, Mikael

2016-04-01

We derive the full perturbative equations of motion for the most general background solutions in ghost-free bimetric theory in its metric formulation. Clever field redefinitions at the level of fluctuations enable us to circumvent the problem of varying a square-root matrix appearing in the theory. This greatly simplifies the expressions for the linear variation of the bimetric interaction terms. We show that these field redefinitions exist and are uniquely invertible if and only if the variation of the square-root matrix itself has a unique solution, which is a requirement for the linearized theory to be well defined. As an application of our results we examine the constraint structure of ghost-free bimetric theory at the level of linear equations of motion for the first time. We identify a scalar combination of equations which is responsible for the absence of the Boulware-Deser ghost mode in the theory. The bimetric scalar constraint is in general not manifestly covariant in its nature. However, in the massive gravity limit the constraint assumes a covariant form when one of the interaction parameters is set to zero. For that case our analysis provides an alternative and almost trivial proof of the absence of the Boulware-Deser ghost. Our findings generalize previous results in the metric formulation of massive gravity and also agree with studies of its vielbein version.

Boltzmann, Darwin and Directionality theory

NASA Astrophysics Data System (ADS)

Demetrius, Lloyd A.

2013-09-01

Boltzmann’s statistical thermodynamics is a mathematical theory which relates the macroscopic properties of aggregates of interacting molecules with the laws of their interaction. The theory is based on the concept thermodynamic entropy, a statistical measure of the extent to which energy is spread throughout macroscopic matter. Macroscopic evolution of material aggregates is quantitatively explained in terms of the principle: Thermodynamic entropy increases as the composition of the aggregate changes under molecular collision. Darwin’s theory of evolution is a qualitative theory of the origin of species and the adaptation of populations to their environment. A central concept in the theory is fitness, a qualitative measure of the capacity of an organism to contribute to the ancestry of future generations. Macroscopic evolution of populations of living organisms can be qualitatively explained in terms of a neo-Darwinian principle: Fitness increases as the composition of the population changes under variation and natural selection. Directionality theory is a quantitative model of the Darwinian argument of evolution by variation and selection. This mathematical theory is based on the concept evolutionary entropy, a statistical measure which describes the rate at which an organism appropriates energy from the environment and reinvests this energy into survivorship and reproduction. According to directionality theory, microevolutionary dynamics, that is evolution by mutation and natural selection, can be quantitatively explained in terms of a directionality principle: Evolutionary entropy increases when the resources are diverse and of constant abundance; but decreases when the resource is singular and of variable abundance. This report reviews the analytical and empirical support for directionality theory, and invokes the microevolutionary dynamics of variation and selection to delineate the principles which govern macroevolutionary dynamics of speciation and extinction. We also elucidate the relation between thermodynamic entropy, which pertains to the extent of energy spreading and sharing within inanimate matter, and evolutionary entropy, which refers to the rate of energy appropriation from the environment and allocation within living systems. We show that the entropic principle of thermodynamics is the limit as R→0, M→∞, (where R denote the resource production rate, and M denote population size) of the entropic principle of evolution. We exploit this relation between the thermodynamic and evolutionary tenets to propose a physico-chemical model of the transition from inanimate matter which is under thermodynamic selection, to living systems which are subject to evolutionary selection. Life history variation and the evolution of senescence The evolutionary dynamics of speciation and extinction Evolutionary trends in body size. The origin of sporadic forms of cancer and neurological diseases, and the evolution of cooperation are important recent applications of directionality theory. These applications, which draw from the medical sciences and sociobiology, appeal to methods which lie outside the formalism described in this report. A companion review, Demetrius and Gundlach (submitted for publication), gives an account of these applications.An important aspect of this report pertains to the connection between statistical mechanics and evolutionary theory and its implications towards understanding the processes which underlie the emergence of living systems from inanimate matter-a problem which has recently attracted considerable attention, Morowitz (1992), Eigen (1992), Dyson (2000), Pross (2012).The connection between the two disciplines can be addressed by appealing to certain extremal principles which are considered the mainstay of the respective theories.The extremal principle in statistical mechanics can be stated as follows:

Fluffy dust forms icy planetesimals by static compression

NASA Astrophysics Data System (ADS)

Kataoka, Akimasa; Tanaka, Hidekazu; Okuzumi, Satoshi; Wada, Koji

2013-09-01

Context. Several barriers have been proposed in planetesimal formation theory: bouncing, fragmentation, and radial drift problems. Understanding the structure evolution of dust aggregates is a key in planetesimal formation. Dust grains become fluffy by coagulation in protoplanetary disks. However, once they are fluffy, they are not sufficiently compressed by collisional compression to form compact planetesimals. Aims: We aim to reveal the pathway of dust structure evolution from dust grains to compact planetesimals. Methods: Using the compressive strength formula, we analytically investigate how fluffy dust aggregates are compressed by static compression due to ram pressure of the disk gas and self-gravity of the aggregates in protoplanetary disks. Results: We reveal the pathway of the porosity evolution from dust grains via fluffy aggregates to form planetesimals, circumventing the barriers in planetesimal formation. The aggregates are compressed by the disk gas to a density of 10-3 g/cm3 in coagulation, which is more compact than is the case with collisional compression. Then, they are compressed more by self-gravity to 10-1 g/cm3 when the radius is 10 km. Although the gas compression decelerates the growth, the aggregates grow rapidly enough to avoid the radial drift barrier when the orbital radius is ≲6 AU in a typical disk. Conclusions: We propose a fluffy dust growth scenario from grains to planetesimals. It enables icy planetesimal formation in a wide range beyond the snowline in protoplanetary disks. This result proposes a concrete initial condition of planetesimals for the later stages of the planet formation.

Thermal annealing induced the tunable optical properties of silver thin films with linear variable thickness

NASA Astrophysics Data System (ADS)

Hong, Ruijin; Shao, Wen; Ji, Jialin; Tao, Chunxian; Zhang, Dawei

2018-06-01

Silver thin films with linear variable thickness were deposited at room temperature. The corresponding tunability of optical properties and Raman scattering intensity were realized by thermal annealing process. With the thickness increasing, the topography of as-annealed silver thin films was observed to develop from discontinued nanospheres into continuous structure with a redshift of the surface plasmon resonance wavelength in visible region. Both the various nanosphere sizes and states of aggregation of as-annealed silver thin films contributed to significantly increasing the sensitivity of surface enhanced Raman scattering (SERS).

The aggregated unfitted finite element method for elliptic problems

NASA Astrophysics Data System (ADS)

Badia, Santiago; Verdugo, Francesc; Martín, Alberto F.

2018-07-01

Unfitted finite element techniques are valuable tools in different applications where the generation of body-fitted meshes is difficult. However, these techniques are prone to severe ill conditioning problems that obstruct the efficient use of iterative Krylov methods and, in consequence, hinders the practical usage of unfitted methods for realistic large scale applications. In this work, we present a technique that addresses such conditioning problems by constructing enhanced finite element spaces based on a cell aggregation technique. The presented method, called aggregated unfitted finite element method, is easy to implement, and can be used, in contrast to previous works, in Galerkin approximations of coercive problems with conforming Lagrangian finite element spaces. The mathematical analysis of the new method states that the condition number of the resulting linear system matrix scales as in standard finite elements for body-fitted meshes, without being affected by small cut cells, and that the method leads to the optimal finite element convergence order. These theoretical results are confirmed with 2D and 3D numerical experiments.

Afforestation impacts microbial biomass and its natural (13)C and (15)N abundance in soil aggregates in central China.

PubMed

Wu, Junjun; Zhang, Qian; Yang, Fan; Lei, Yao; Zhang, Quanfa; Cheng, Xiaoli

2016-10-15

We investigated soil microbial biomass and its natural abundance of δ(13)C and δ(15)N in aggregates (>2000μm, 250-2000μm, 53-250μm and <53μm) of afforested (implementing woodland and shrubland plantations) soils, adjacent croplands and open area (i.e., control) in the Danjiangkou Reservoir area of central China. The afforested soils averaged higher microbial biomass carbon (MBC) and nitrogen (MBN) levels in all aggregates than in open area and cropland, with higher microbial biomass in micro-aggregates (<250μm) than in macro-aggregates (>2000μm). The δ(13)C of soil microbial biomass was more enriched in woodland soils than in other land use types, while δ(15)N of soil microbial biomass was more enriched compared with that of organic soil in all land use types. The δ(13)C and δ(15)N of microbial biomass were positively correlated with the δ(13)C and δ(15)N of organic soil across aggregates and land use types, whereas the (13)C and (15)N enrichment of microbial biomass exhibited linear decreases with the corresponding C:N ratio of organic soil. Our results suggest that shifts in the natural (13)C and (15)N abundance of microbial biomass reflect changes in the stabilization and turnover of soil organic matter (SOM) and thereby imply that afforestation can greatly impact SOM accumulation over the long-term. Copyright © 2016 Elsevier B.V. All rights reserved.

The Response of Farmland Bird Communities to Agricultural Intensity as Influenced by Its Spatial Aggregation

PubMed Central

Teillard, Félix; Jiguet, Frédéric; Tichit, Muriel

2015-01-01

The shape of the relationship between biodiversity and agricultural intensity determines the range of intensities that should be targeted by conservation policies to obtain the greatest environmental benefits. Although preliminary evidence of this relationship exists, the influence of the spatial arrangement of intensity on biodiversity remains untested. We conducted a nationwide study linking agricultural intensity and its spatial arrangement to a farmland bird community of 22 species. Intensity was described with a continuous indicator based on Input Cost per hectare, which was relevant for both livestock and crop production. We used the French Breeding Bird Survey to compute several descriptors of the farmland bird community along the intensity gradient and tested for the significance of an interaction effect between intensity and its spatial aggregation on these descriptors. We found that the bird community was comprised of both winner and loser species with regard to intensity. The community composition descriptors (trophic level, specialisation, and specialisation for grassland indices) displayed non-linear relationships to intensity, with steeper slopes in the lower intensity range. We found a significant interaction effect between intensity and its spatial aggregation on the grassland specialisation index of the bird community; the effect of agricultural intensity was strengthened by its spatial aggregation. We suggest that an opportunity to improve the effectiveness of conservation policies exists by targeting measures in areas where intensity is moderate to low and aggregated. The effect of the aggregation of agricultural intensity on biodiversity should be considered in other scales and taxa when developing optimal policy targeting and intensity allocation strategies. PMID:25799552

Rainfall-induced soil aggregate breakdown in field experiments at different rainfall intensities and initial soil moisture conditions

NASA Astrophysics Data System (ADS)

Shi, Pu; Thorlacius, Sigurdur; Keller, Thomas; Keller, Martin; Schulin, Rainer

2017-04-01

Soil aggregate breakdown under rainfall impact is an important process in interrill erosion, but is not represented explicitly in water erosion models. Aggregate breakdown not only reduces infiltration through surface sealing during rainfall, but also determines the size distribution of the disintegrated fragments and thus their availability for size-selective sediment transport and re-deposition. An adequate representation of the temporal evolution of fragment mass size distribution (FSD) during rainfall events and the dependence of this dynamics on factors such as rainfall intensity and soil moisture content may help improve mechanistic erosion models. Yet, little is known about the role of those factors in the dynamics of aggregate breakdown under field conditions. In this study, we conducted a series of artificial rainfall experiments on a field silt loam soil to investigate aggregate breakdown dynamics at different rainfall intensity (RI) and initial soil water content (IWC). We found that the evolution of FSD in the course of a rainfall event followed a consistent two-stage pattern in all treatments. The fragment mean weight diameter (MWD) drastically decreased in an approximately exponential way at the beginning of a rainfall event, followed by a further slow linear decrease in the second stage. We proposed an empirical model that describes this temporal pattern of MWD decrease during a rainfall event and accounts for the effects of RI and IWC on the rate parameters. The model was successfully tested using an independent dataset, showing its potential to be used in erosion models for the prediction of aggregate breakdown. The FSD at the end of the experimental rainfall events differed significantly among treatments, indicating that different aggregate breakdown mechanisms responded differently to the variation in initial soil moisture and rainfall intensity. These results provide evidence that aggregate breakdown dynamics needs to be considered in a case-specific manner in modelling sediment mobilization and transport during water erosion events.

The Effect of Level of Expertise on Answer Key Development.

ERIC Educational Resources Information Center

Norcini, John J.; Shea, Judy A.

1990-01-01

This study retrospectively applies aggregate scoring to the cardiology questions from a recertifying examination in general internal medicine. Three groups of experts were identified among the examinees and the remainder of the examinees were the participants (N=1887) of the study. Generalizability theory is applied to these data. (MLW)

Learning Theory and Psychometrics: Room for Growth

ERIC Educational Resources Information Center

Briggs, Derek C.

2017-01-01

In the United States, students have historically taken large-scale assessments for many different purposes. One purpose that is shared with many other countries is a desire to monitor aggregate trends in educational attainment in core subject domains such as literacy, mathematics, and science. In this commentary, the author examines testing,…

A Policy Relevant Theory of Entrepreneurship.

ERIC Educational Resources Information Center

Self, George D.

Combining the approaches of McClelland-Hagan and Schumpeter, the interactive effects of entrepreneurial potential and social climate on growth were examined. Entrepreneurial potential was designated as degree of internality as measured by Rotter's I-E aggregate index of 23 items. Social climate was designated degree of community information flow…

Exploring Partial Order of European Countries

ERIC Educational Resources Information Center

Annoni, Paola; Bruggemann, Rainer

2009-01-01

Partial Order Theory has been recently more and more employed in applied science to overcome the intrinsic disadvantage hidden in aggregation, if a multiple attribute system is available. Despite its numerous positive features, there are many practical cases where the interpretation of the partial order can be rather troublesome. In these cases…

Mutual Exclusion of Urea and Trimethylamine N-oxide from Amino Acids in Mixed Solvent Environment

NASA Astrophysics Data System (ADS)

Ganguly, Pritam; Hajari, Timir; Shea, Joan-Emma; van der Vegt, Nico F. A.

2015-03-01

We study the solvation thermodynamics of individual amino acids in mixed urea and trimethylamine N-oxide (TMAO) solutions using molecular dynamics simulations and the Kirkwood-Buff theory. Our results on the preferential interactions between the amino acids and the cosolvents (urea and TMAO) show a mutual exclusion of both the cosolvents from the amino acid surface in the mixed cosolvent condition which is followed by an increase in the cosolvent-cosolvent aggregation away from the amino acid surface. The effects of the mixed cosolvents on the association of the amino acids and the preferential solvation of the amino acids by water are found to be highly non-linear in terms of the effects of the individual cosolvents. A similar result has been found for the association of the protein backbone, mimicked by triglycine. Our results have been confirmed by different TMAO force-fields and the mutual exclusions of the cosolvents from the amino acids are found to be independent of the choice of the strength of the TMAO-water interactions. Based on our data, a general mechanism can potentially be proposed for the effects of the mixed cosolvents on the preferential solvations of the solutes including the case of cononsolvency.

Scattering and radiative properties of complex soot and soot-containing particles

NASA Astrophysics Data System (ADS)

Liu, L.; Mishchenko, M. I.; Mackowski, D. W.; Dlugach, J.

2012-12-01

Tropospheric soot and soot containing aerosols often exhibit nonspherical overall shapes and complex morphologies. They can externally, semi-externally, and internally mix with other aerosol species. This poses a tremendous challenge in particle characterization, remote sensing, and global climate modeling studies. To address these challenges, we used the new numerically exact public-domain Fortran-90 code based on the superposition T-matrix method (STMM) and other theoretical models to analyze the potential effects of aggregation and heterogeneity on light scattering and absorption by morphologically complex soot containing particles. The parameters we computed include the whole scattering matrix elements, linear depolarization ratios, optical cross-sections, asymmetry parameters, and single scattering albedos. It is shown that the optical characteristics of soot and soot containing aerosols very much depend on particle sizes, compositions, and aerosol overall shapes. The soot particle configurations and heterogeneities can have a substantial effect that can result in a significant enhancement of extinction and absorption relative to those computed from the Lorenz-Mie theory. Meanwhile the model calculated information combined with in-situ and remote sensed data can be used to constrain soot particle shapes and sizes which are much needed in climate models.

Survey and analysis of research on supersonic drag-due-to-lift minimization with recommendations for wing design

NASA Technical Reports Server (NTRS)

Carlson, Harry W.; Mann, Michael J.

1992-01-01

A survey of research on drag-due-to-lift minimization at supersonic speeds, including a study of the effectiveness of current design and analysis methods was conducted. The results show that a linearized theory analysis with estimated attainable thrust and vortex force effects can predict with reasonable accuracy the lifting efficiency of flat wings. Significantly better wing performance can be achieved through the use of twist and camber. Although linearized theory methods tend to overestimate the amount of twist and camber required for a given application and provide an overly optimistic performance prediction, these deficiencies can be overcome by implementation of recently developed empirical corrections. Numerous examples of the correlation of experiment and theory are presented to demonstrate the applicability and limitations of linearized theory methods with and without empirical corrections. The use of an Euler code for the estimation of aerodynamic characteristics of a twisted and cambered wing and its application to design by iteration are discussed.

Koopman operator theory: Past, present, and future

NASA Astrophysics Data System (ADS)

Brunton, Steven; Kaiser, Eurika; Kutz, Nathan

2017-11-01

Koopman operator theory has emerged as a dominant method to represent nonlinear dynamics in terms of an infinite-dimensional linear operator. The Koopman operator acts on the space of all possible measurement functions of the system state, advancing these measurements with the flow of the dynamics. A linear representation of nonlinear dynamics has tremendous potential to enable the prediction, estimation, and control of nonlinear systems with standard textbook methods developed for linear systems. Dynamic mode decomposition has become the leading data-driven method to approximate the Koopman operator, although there are still open questions and challenges around how to obtain accurate approximations for strongly nonlinear systems. This talk will provide an introductory overview of modern Koopman operator theory, reviewing the basics and describing recent theoretical and algorithmic developments. Particular emphasis will be placed on the use of data-driven Koopman theory to characterize and control high-dimensional fluid dynamic systems. This talk will also address key advances in the rapidly growing fields of machine learning and data science that are likely to drive future developments.

Magnetic field power density spectra during 'scatter-free' solar particle events

NASA Technical Reports Server (NTRS)

Tan, L. C.; Mason, G. M.

1993-01-01

We have examined interplanetary magnetic field power spectral density during four previously identified 3He-rich flare periods when the about 1 MeV nucleon-1 particles exhibited nearly scatter-free transport from the sun to 1 AU. Since the scattering mean free path A was large, it might be expected that interplanetary turbulence was low, yet the spectral density value was low only for one of the four periods. For the other three, however, the spectral index q of the power density spectrum was near 2.0, a value at which quasi-linear theories predict an increase in the scattering mean free path. Comparing the lambda values from the energetic particles with that computed from a recent quasi-linear theory which includes helicity and the propagation direction of waves, we find lambda(QLT)/lambda(SEP) = 0.08 +/- 0.03 for the four events. Thus, the theory fits the q-dependence of lambda; however, as found for previous quasi-linear theories, the absolute value is low.

Single ascending oral dose pharmacokinetics and pharmacodynamics study of EV-077: the specific inhibitor of prostanoid- and isoprostane-induced cellular activation.

PubMed

Richardson, A; Sakariassen, K S; Meyer, J-P; Alberts, P; Sorensen, A S

2013-03-01

This study was performed to determine the oral pharmacokinetics (PK) of EV-077 and its effects on pharmacodynamic (PD) markers. EV-077 blocks prostanoid-induced and isoprostane-induced cellular activation, and is in development for the treatment of vascular inflammation and associated complications of type-2 diabetes.. This single-ascending-dose mono-centre study was randomised, placebo-controlled, and double-blinded within each dose group. Seven EV-077 doses were administered sequentially as an oral solution: 0.0125, 0.125, 0.375, 0.75, 1.25, 1.875 and 2.5 mg/kg body weight. PK, platelet aggregation, bleeding time and safety parameters were measured. Seven to eight healthy male subjects were dosed per group: five to six subjects received EV-077 and two subjects received placebo. Tmax was reached rapidly between 0.5 h and 1.0 h. Both Cmax and AUC increased linearly with the dose. The apparent terminal half-life (t½z) increased with the dose, most likely reflecting the increasing last quantifiable concentration with increasing dose; at 2.5 mg/kg, it was 2.7-6.9 h. Measurement of platelet aggregation showed no effect at 0.0125 mg/kg, and a full and reversible inhibition at doses of 0.125-2.5 mg/kg. The average bleeding time was dose-dependently prolonged, but was always below 9 min. The PK/PD profile showed that at plasma concentrations above 20 ng/ml, EV-077 platelet aggregation was completely inhibited (>90 %). All tested doses were well tolerated. Orally administered EV-077 was well tolerated, readily absorbed, reached Cmax within 1 h, with a linear PK based on Cmax and AUC. The inhibition of platelet aggregation was complete and reversible at doses of 0.125 mg/kg and higher, and average bleeding time was below 9 min.

Local control theory using trajectory surface hopping and linear-response time-dependent density functional theory.

PubMed

Curchod, Basile F E; Penfold, Thomas J; Rothlisberger, Ursula; Tavernelli, Ivano

2013-01-01

The implementation of local control theory using nonadiabatic molecular dynamics within the framework of linear-response time-dependent density functional theory is discussed. The method is applied to study the photoexcitation of lithium fluoride, for which we demonstrate that this approach can efficiently generate a pulse, on-the-fly, able to control the population transfer between two selected electronic states. Analysis of the computed control pulse yields insights into the photophysics of the process identifying the relevant frequencies associated to the curvature of the initial and final state potential energy curves and their energy differences. The limitations inherent to the use of the trajectory surface hopping approach are also discussed.

The elastic theory of shells using geometric algebra

PubMed Central

Lasenby, J.; Agarwal, A.

2017-01-01

We present a novel derivation of the elastic theory of shells. We use the language of geometric algebra, which allows us to express the fundamental laws in component-free form, thus aiding physical interpretation. It also provides the tools to express equations in an arbitrary coordinate system, which enhances their usefulness. The role of moments and angular velocity, and the apparent use by previous authors of an unphysical angular velocity, has been clarified through the use of a bivector representation. In the linearized theory, clarification of previous coordinate conventions which have been the cause of confusion is provided, and the introduction of prior strain into the linearized theory of shells is made possible. PMID:28405404

New infinite-dimensional hidden symmetries for heterotic string theory

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

Gao Yajun

The symmetry structures of two-dimensional heterotic string theory are studied further. A (2d+n)x(2d+n) matrix complex H-potential is constructed and the field equations are extended into a complex matrix formulation. A pair of Hauser-Ernst-type linear systems are established. Based on these linear systems, explicit formulations of new hidden symmetry transformations for the considered theory are given and then these symmetry transformations are verified to constitute infinite-dimensional Lie algebras: the semidirect product of the Kac-Moody o(d,d+n-circumflex) and Virasoro algebras (without center charges). These results demonstrate that the heterotic string theory under consideration possesses more and richer symmetry structures than previously expected.

The elastic theory of shells using geometric algebra.

PubMed

Gregory, A L; Lasenby, J; Agarwal, A

2017-03-01

We present a novel derivation of the elastic theory of shells. We use the language of geometric algebra, which allows us to express the fundamental laws in component-free form, thus aiding physical interpretation. It also provides the tools to express equations in an arbitrary coordinate system, which enhances their usefulness. The role of moments and angular velocity, and the apparent use by previous authors of an unphysical angular velocity, has been clarified through the use of a bivector representation. In the linearized theory, clarification of previous coordinate conventions which have been the cause of confusion is provided, and the introduction of prior strain into the linearized theory of shells is made possible.

Econometric models of road use, accidents, and road investment decisions. Volume 2 : an econometric model of car ownership, road use, accidents, and their severity (Essay 3)

DOT National Transportation Integrated Search

1999-11-01

Using a fairly large cross-section/time-series data base, covering all provinces of Norway and all months between January 1973 and December 1994, we estimate non-linear (Box-Cox) regression equations explaining aggregate car ownership, road use, seat...

A Conceptual View of the Officer Procurement Model (TOPOPS). Technical Report No. 73-73.

ERIC Educational Resources Information Center

Akman, Allan; Nordhauser, Fred

This report presents the conceptual design of a computer-based linear programing model of the Air Force officer procurement system called TOPOPS. The TOPOPS model is an aggregate model which simulates officer accession and training and is directed at optimizing officer procurement in terms of either minimizing cost or maximizing accession quality…

Lyapunov stability and its application to systems of ordinary differential equations

NASA Technical Reports Server (NTRS)

Kennedy, E. W.

1979-01-01

An outline and a brief introduction to some of the concepts and implications of Lyapunov stability theory are presented. Various aspects of the theory are illustrated by the inclusion of eight examples, including the Cartesian coordinate equations of the two-body problem, linear and nonlinear (Van der Pol's equation) oscillatory systems, and the linearized Kustaanheimo-Stiefel element equations for the unperturbed two-body problem.

Thermal Density Functional Theory: Time-Dependent Linear Response and Approximate Functionals from the Fluctuation-Dissipation Theorem

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

Pribram-Jones, Aurora; Grabowski, Paul E.; Burke, Kieron

We present that the van Leeuwen proof of linear-response time-dependent density functional theory (TDDFT) is generalized to thermal ensembles. This allows generalization to finite temperatures of the Gross-Kohn relation, the exchange-correlation kernel of TDDFT, and fluctuation dissipation theorem for DFT. Finally, this produces a natural method for generating new thermal exchange-correlation approximations.

Toward Control of Universal Scaling in Critical Dynamics

DTIC Science & Technology

2016-01-27

program that aims to synergistically combine two powerful and very successful theories for non-linear stochastic dynamics of cooperative multi...RESPONSIBLE PERSON 19b. TELEPHONE NUMBER Uwe Tauber Uwe C. T? uber , Michel Pleimling, Daniel J. Stilwell 611102 c. THIS PAGE The public reporting burden...to synergistically combine two powerful and very successful theories for non-linear stochastic dynamics of cooperative multi-component systems, namely

Thermal Density Functional Theory: Time-Dependent Linear Response and Approximate Functionals from the Fluctuation-Dissipation Theorem

DOE PAGES

Pribram-Jones, Aurora; Grabowski, Paul E.; Burke, Kieron

2016-06-08

We present that the van Leeuwen proof of linear-response time-dependent density functional theory (TDDFT) is generalized to thermal ensembles. This allows generalization to finite temperatures of the Gross-Kohn relation, the exchange-correlation kernel of TDDFT, and fluctuation dissipation theorem for DFT. Finally, this produces a natural method for generating new thermal exchange-correlation approximations.

A system for aerodynamic design and analysis of supersonic aircraft. Part 4: Test cases

NASA Technical Reports Server (NTRS)

Middleton, W. D.; Lundry, J. L.

1980-01-01

An integrated system of computer programs was developed for the design and analysis of supersonic configurations. The system uses linearized theory methods for the calculation of surface pressures and supersonic area rule concepts in combination with linearized theory for calculation of aerodynamic force coefficients. Interactive graphics are optional at the user's request. Representative test cases and associated program output are presented.

Cosmic ray diffusion: Report of the Workshop in Cosmic Ray Diffusion Theory

NASA Technical Reports Server (NTRS)

Birmingham, T. J.; Jones, F. C.

1975-01-01

A workshop in cosmic ray diffusion theory was held at Goddard Space Flight Center on May 16-17, 1974. Topics discussed and summarized are: (1) cosmic ray measurements as related to diffusion theory; (2) quasi-linear theory, nonlinear theory, and computer simulation of cosmic ray pitch-angle diffusion; and (3) magnetic field fluctuation measurements as related to diffusion theory.

Linear and nonlinear instability in vertical counter-current laminar gas-liquid flows

NASA Astrophysics Data System (ADS)

Schmidt, Patrick; Ó Náraigh, Lennon; Lucquiaud, Mathieu; Valluri, Prashant

2016-04-01

We consider the genesis and dynamics of interfacial instability in vertical gas-liquid flows, using as a model the two-dimensional channel flow of a thin falling film sheared by counter-current gas. The methodology is linear stability theory (Orr-Sommerfeld analysis) together with direct numerical simulation of the two-phase flow in the case of nonlinear disturbances. We investigate the influence of two main flow parameters on the interfacial dynamics, namely the film thickness and pressure drop applied to drive the gas stream. To make contact with existing studies in the literature, the effect of various density contrasts is also examined. Energy budget analyses based on the Orr-Sommerfeld theory reveal various coexisting unstable modes (interfacial, shear, internal) in the case of high density contrasts, which results in mode coalescence and mode competition, but only one dynamically relevant unstable interfacial mode for low density contrast. A study of absolute and convective instability for low density contrast shows that the system is absolutely unstable for all but two narrow regions of the investigated parameter space. Direct numerical simulations of the same system (low density contrast) show that linear theory holds up remarkably well upon the onset of large-amplitude waves as well as the existence of weakly nonlinear waves. For high density contrasts, corresponding more closely to an air-water-type system, linear stability theory is also successful at determining the most-dominant features in the interfacial wave dynamics at early-to-intermediate times. Nevertheless, the short waves selected by the linear theory undergo secondary instability and the wave train is no longer regular but rather exhibits chaotic motion. The same linear stability theory predicts when the direction of travel of the waves changes — from downwards to upwards. We outline the practical implications of this change in terms of loading and flooding. The change in direction of the wave propagation is represented graphically in terms of a flow map based on the liquid and gas flow rates and the prediction carries over to the nonlinear regime with only a small deviation.

Universal Linear Scaling of Permeability and Time for Heterogeneous Fracture Dissolution

NASA Astrophysics Data System (ADS)

Wang, L.; Cardenas, M. B.

2017-12-01

Fractures are dynamically changing over geological time scale due to mechanical deformation and chemical reactions. However, the latter mechanism remains poorly understood with respect to the expanding fracture, which leads to a positively coupled flow and reactive transport processes, i.e., as a fracture expands, so does its permeability (k) and thus flow and reactive transport processes. To unravel this coupling, we consider a self-enhancing process that leads to fracture expansion caused by acidic fluid, i.e., CO2-saturated brine dissolving calcite fracture. We rigorously derive a theory, for the first time, showing that fracture permeability increases linearly with time [Wang and Cardenas, 2017]. To validate this theory, we resort to the direct simulation that solves the Navier-Stokes and Advection-Diffusion equations with a moving mesh according to the dynamic dissolution process in two-dimensional (2D) fractures. We find that k slowly increases first until the dissolution front breakthrough the outbound when we observe a rapid k increase, i.e., the linear time-dependence of k occurs. The theory agrees well with numerical observations across a broad range of Peclet and Damkohler numbers through homogeneous and heterogeneous 2D fractures. Moreover, the theory of linear scaling relationship between k and time matches well with experimental observations of three-dimensional (3D) fractures' dissolution. To further attest to our theory's universality for 3D heterogeneous fractures across a broad range of roughness and correlation length of aperture field, we develop a depth-averaged model that simulates the process-based reactive transport. The simulation results show that, regardless of a wide variety of dissolution patterns such as the presence of dissolution fingers and preferential dissolution paths, the linear scaling relationship between k and time holds. Our theory sheds light on predicting permeability evolution in many geological settings when the self-enhancing process is relevant. References: Wang, L., and M. B. Cardenas (2017), Linear permeability evolution of expanding conduits due to feedback between flow and fast phase change, Geophys. Res. Lett., 44(9), 4116-4123, doi: 10.1002/2017gl073161.