Data-Science Analysis of the Macro-scale Features Governing the Corrosion to Crack Transition in AA7050-T7451

NASA Astrophysics Data System (ADS)

Co, Noelle Easter C.; Brown, Donald E.; Burns, James T.

2018-05-01

This study applies data science approaches (random forest and logistic regression) to determine the extent to which macro-scale corrosion damage features govern the crack formation behavior in AA7050-T7451. Each corrosion morphology has a set of corresponding predictor variables (pit depth, volume, area, diameter, pit density, total fissure length, surface roughness metrics, etc.) describing the shape of the corrosion damage. The values of the predictor variables are obtained from white light interferometry, x-ray tomography, and scanning electron microscope imaging of the corrosion damage. A permutation test is employed to assess the significance of the logistic and random forest model predictions. Results indicate minimal relationship between the macro-scale corrosion feature predictor variables and fatigue crack initiation. These findings suggest that the macro-scale corrosion features and their interactions do not solely govern the crack formation behavior. While these results do not imply that the macro-features have no impact, they do suggest that additional parameters must be considered to rigorously inform the crack formation location.

Global maps of streamflow characteristics based on observations from several thousand catchments

NASA Astrophysics Data System (ADS)

Beck, Hylke; de Roo, Ad; van Dijk, Albert

2016-04-01

Streamflow (Q) estimation in ungauged catchments is one of the greatest challenges facing hydrologists. Observed Q from three to four thousand small-to-medium sized catchments (10--10 000~km^2) around the globe were used to train neural network ensembles to estimate Q characteristics based on climate and physiographic characteristics of the catchments. In total 17 Q characteristics were selected, including mean annual Q, baseflow index, and a number of flow percentiles. Testing coefficients of determination for the estimation of the Q characteristics ranged from 0.55 for the baseflow recession constant to 0.93 for the Q timing. Overall, climate indices dominated among the predictors. Predictors related to soils and geology were relatively unimportant, perhaps due to their data quality. The trained neural network ensembles were subsequently applied spatially over the entire ice-free land surface, resulting in global maps of the Q characteristics (0.125° resolution). These maps possess several unique features: they represent observation-driven estimates; are based on an unprecedentedly large set of catchments; and have associated uncertainty estimates. The maps can be used for various hydrological applications, including the diagnosis of macro-scale hydrological models. To demonstrate this, the produced maps were compared to equivalent maps derived from the simulated daily Q of four macro-scale hydrological models, highlighting various opportunities for improvement in model Q behavior. The produced dataset is available via http://water.jrc.ec.europa.eu.

Effects of geometry and fluid properties during condensation in minichannels: experiments and simulations

NASA Astrophysics Data System (ADS)

Toninelli, Paolo; Bortolin, Stefano; Azzolin, Marco; Del, Davide, Col

2017-10-01

The present paper aims at investigating the condensation process inside minichannels, at low mass fluxes, where bigger discrepancies from conventional channels can be expected. At high mass flux, the condensation in minichannels is expected to be shear stress dominated. Therefore, models originally developed for conventional channels could still do a good job in predicting the heat transfer coefficient. When the mass flow rate decreases, the condensation process in minichannels starts to display differences with the same process in macro-channels. With the purpose of investigating condensation at these operating conditions, new experimental data are here reported and compared with data already published in the literature. In particular, heat transfer coefficients have been measured during R134a and R1234ze(E) condensation inside circular and square cross section minichannels at mass flux ranging between 65 and 200 kg m-2 s-1. These new data are compared with those of R32, R717, R290, R152a to show the effect of channel shape and fluid properties and to assess the applicability of correlations developed for macroscale condensation. For this purpose, a new criterion based on the Weber number is presented to decide when the macroscale condensation correlation can be applied. The present experimental data are also compared against three-dimensional Volume of Fluid (VOF) simulations of condensation in minichannels with circular and square cross section. This comparison allows to get an insight into the process and evaluate the main heat transfer mechanisms.

Numerical study of multiscale compaction-initiated detonation

NASA Astrophysics Data System (ADS)

Gambino, J. R.; Schwendeman, D. W.; Kapila, A. K.

2018-02-01

A multiscale model of heterogeneous condensed-phase explosives is examined computationally to determine the course of transient events following the application of a piston-driven stimulus. The model is a modified version of that introduced by Gonthier (Combust Sci Technol 175(9):1679-1709, 2003. https://doi.org/10.1080/00102200302373) in which the explosive is treated as a porous, compacting medium at the macro-scale and a collection of closely packed spherical grains capable of undergoing reaction and diffusive heat transfer at the meso-scale. A separate continuum description is ascribed to each scale, and the two scales are coupled together in an energetically consistent manner. Following piston-induced compaction, localized energy deposition at the sites of intergranular contact creates hot spots where reaction begins preferentially. Reaction progress at the macro-scale is determined by the spatial average of that at the grain scale. A parametric study shows that combustion at the macro-scale produces an unsteady detonation with a cyclical character, in which the lead shock loses strength and is overtaken by a stronger secondary shock generated in the partially reacted material behind it. The secondary shock in turn becomes the new lead shock and the process repeats itself.

The correlation between gelatin macroscale differences and nanoparticle properties: providing insight into biopolymer variability.

PubMed

Stevenson, André T; Jankus, Danny J; Tarshis, Max A; Whittington, Abby R

2018-05-21

From therapeutic delivery to sustainable packaging, manipulation of biopolymers into nanostructures imparts biocompatibility to numerous materials with minimal environmental pollution during processing. While biopolymers are appealing natural based materials, the lack of nanoparticle (NP) physicochemical consistency has decreased their nanoscale translation into actual products. Insights regarding the macroscale and nanoscale property variation of gelatin, one of the most common biopolymers already utilized in its bulk form, are presented. Novel correlations between macroscale and nanoscale properties were made by characterizing similar gelatin rigidities obtained from different manufacturers. Samples with significant differences in clarity, indicating sample purity, obtained the largest deviations in NP diameter. Furthermore, a statistically significant positive correlation between macroscale molecular weight dispersity and NP diameter was determined. New theoretical calculations proposing the limited number of gelatin chains that can aggregate and subsequently get crosslinked for NP formation were presented as one possible reason to substantiate the correlation analysis. NP charge and crosslinking extent were also related to diameter. Lower gelatin sample molecular weight dispersities produced statistically smaller average diameters (<75 nm), and higher average electrostatic charges (∼30 mV) and crosslinking extents (∼95%), which were independent of gelatin rigidity, conclusions not shown in the literature. This study demonstrates that the molecular weight composition of the starting material is one significant factor affecting gelatin nanoscale properties and must be characterized prior to NP preparation. Identifying gelatin macroscale and nanoscale correlations offers a route toward greater physicochemical property control and reproducibility of new NP formulations for translation to industry.

Effective properties of a fly ash geopolymer: Synergistic application of X-ray synchrotron tomography, nanoindentation, and homogenization models

DOE PAGES

Das, Sumanta; Yang, Pu; Singh, Sudhanshu S.; ...

2015-09-02

Microstructural and micromechanical investigation of a fly ash-based geopolymer using: (i) synchrotron x-ray tomography (XRT) to determine the volume fraction and tortuosity of pores that are influential in fluid transport, (ii) mercury intrusion porosimetry (MIP) to capture the volume fraction of smaller pores, (iii) scanning electron microscopy (SEM) combined with multi-label thresholding to identify and characterize the solid phases in the microstructure, and (iv) nanoindentation to determine the component phase elastic properties using statistical deconvolution, is reported in this paper. The phase volume fractions and elastic properties are used in multi-step mean field homogenization (Mori- Tanaka and double inclusion) modelsmore » to determine the homogenized macroscale elastic modulus of the composite. The homogenized elastic moduli are in good agreement with the flexural elastic modulus determined on macroscale paste beams. As a result, the combined use of microstructural and micromechanical characterization tools at multiple scales provides valuable information towards the material design of fly ash geopolymers.« less

Computational Design of Materials: Planetary Entry to Electric Aircraft and Beyond

NASA Technical Reports Server (NTRS)

Thompson, Alexander; Lawson, John W.

2014-01-01

NASA's projects and missions push the bounds of what is possible. To support the agency's work, materials development must stay on the cutting edge in order to keep pace. Today, researchers at NASA Ames Research Center perform multiscale modeling to aid the development of new materials and provide insight into existing ones. Multiscale modeling enables researchers to determine micro- and macroscale properties by connecting computational methods ranging from the atomic level (density functional theory, molecular dynamics) to the macroscale (finite element method). The output of one level is passed on as input to the next level, creating a powerful predictive model.

A comparative study of the nanoscale and macroscale tribological attributes of alumina and stainless steel surfaces immersed in aqueous suspensions of positively or negatively charged nanodiamonds

PubMed Central

Curtis, Colin K; Marek, Antonin; Smirnov, Alex I

2017-01-01

This article reports a comparative study of the nanoscale and macroscale tribological attributes of alumina and stainless steel surfaces immersed in aqueous suspensions of positively (hydroxylated) or negatively (carboxylated) charged nanodiamonds (ND). Immersion in −ND suspensions resulted in a decrease in the macroscopic friction coefficients to values in the range 0.05–0.1 for both stainless steel and alumina, while +ND suspensions yielded an increase in friction for stainless steel contacts but little to no increase for alumina contacts. Quartz crystal microbalance (QCM), atomic force microscopy (AFM) and scanning electron microscopy (SEM) measurements were employed to assess nanoparticle uptake, surface polishing, and resistance to solid–liquid interfacial shear motion. The QCM studies revealed abrupt changes to the surfaces of both alumina and stainless steel upon injection of –ND into the surrounding water environment that are consistent with strong attachment of NDs and/or chemical changes to the surfaces. AFM images of the surfaces indicated slight increases in the surface roughness upon an exposure to both +ND and −ND suspensions. A suggested mechanism for these observations is that carboxylated −NDs from aqueous suspensions are forming robust lubricious deposits on stainless and alumina surfaces that enable gliding of the surfaces through the −ND suspensions with relatively low resistance to shear. In contrast, +ND suspensions are failing to improve tribological performance for either of the surfaces and may have abraded existing protective boundary layers in the case of stainless steel contacts. This study therefore reveals atomic scale details associated with systems that exhibit starkly different macroscale tribological properties, enabling future efforts to predict and design complex lubricant interfaces. PMID:29046852

Modeling of Multiphase Flow through Thin Porous Layers: Application to a Polymer Electrolyte Fuel Cell (PEFC)

NASA Astrophysics Data System (ADS)

Qin, C.; Hassanizadeh, S.

2013-12-01

Multiphase flow and species transport though thin porous layers are encountered in a number of industrial applications, such as fuel cells, filters, and hygiene products. Based on some macroscale models like the Darcy's law, to date, the modeling of flow and transport through such thin layers has been mostly performed in 3D discretized domains with many computational cells. But, there are a number of problems with this approach. First, a proper representative elementary volume (REV) is not defined. Second, one needs to discretize a thin porous medium into computational cells whose size may be comparable to the pore sizes. This suggests that the traditional models are not applicable to such thin domains. Third, the interfacial conditions between neighboring layers are usually not well defined. Last, 3D modeling of a number of interacting thin porous layers often requires heavy computational efforts. So, to eliminate the drawbacks mentioned above, we propose a new approach to modeling multilayers of thin porous media as 2D interacting continua (see Fig. 1). Macroscale 2D governing equations are formulated in terms of thickness-averaged material properties. Also, the exchange of thermodynamic properties between neighboring layers is described by thickness-averaged quantities. In Comparison to previous macroscale models, our model has the distinctive advantages of: (1) it is rigorous thermodynamics-based model; (2) it is formulated in terms of thickness-averaged material properties which are easily measureable; and (3) it reduces 3D modeling to 2D leading to a very significant reduction of computation efforts. As an application, we employ the new approach in the study of liquid water flooding in the cathode of a polymer electrolyte fuel cell (PEFC). To highlight the advantages of the present model, we compare the results of water distribution with those obtained from the traditional 3D Darcy-based modeling. Finally, it is worth noting that, for specific case studies, a number of material properties in the model need to be determined experimentally, such as mass and heat exchange coefficients between neighboring layers. Fig. 1: Schematic representation of three thin porous layers, which may exchange mass, momentum, and energy. Also, a typical averaging domain (REV) is shown. Note that the layer thickness and thus the REV height can be spatially variable. Also, in reality, the layers are tightly stacked and there is no gap between them.

Effect of spherical Au nanoparticles on nanofriction and wear reduction in dry and liquid environments

PubMed Central

Maharaj, Dave

2012-01-01

Summary Nano-object additives are used in tribological applications as well as in various applications in liquids requiring controlled manipulation and targeting. On the macroscale, nanoparticles in solids and liquids have been shown to reduce friction and wear. On the nanoscale, atomic force microscopy (AFM) studies have been performed in single- and multiple-nanoparticle contact, in dry environments, to characterize friction forces and wear. However, limited studies in submerged liquid environments have been performed and further studies are needed. In this paper, spherical Au nanoparticles were studied for their effect on friction and wear under dry conditions and submerged in water. In single-nanoparticle contact, individual nanoparticles, deposited on silicon, were manipulated with a sharp tip and the friction force was determined. Multiple-nanoparticle contact sliding experiments were performed on nanoparticle-coated silicon with a glass sphere. Wear tests were performed on the nanoscale with AFM as well as on the macroscale by using a ball-on-flat tribometer to relate friction and wear reduction on the nanoscale and macroscale. Results indicate that the addition of Au nanoparticles reduces friction and wear. PMID:23213639

Hillslope threshold response to rainfall: (2) development and use of a macroscale model

Treesearch

Chris B. Graham; Jeffrey J. McDonnell

2010-01-01

Hillslope hydrological response to precipitation is extremely complex and poorly modeled. One possible approach for reducing the complexity of hillslope response and its mathematical parameterization is to look for macroscale hydrological behavior. Hillslope threshold response to storm precipitation is one such macroscale behavior observed at field sites across the...

Dynamic Data-Driven Reduced-Order Models of Macroscale Quantities for the Prediction of Equilibrium System State for Multiphase Porous Medium Systems

NASA Astrophysics Data System (ADS)

Talbot, C.; McClure, J. E.; Armstrong, R. T.; Mostaghimi, P.; Hu, Y.; Miller, C. T.

2017-12-01

Microscale simulation of multiphase flow in realistic, highly-resolved porous medium systems of a sufficient size to support macroscale evaluation is computationally demanding. Such approaches can, however, reveal the dynamic, steady, and equilibrium states of a system. We evaluate methods to utilize dynamic data to reduce the cost associated with modeling a steady or equilibrium state. We construct data-driven models using extensions to dynamic mode decomposition (DMD) and its connections to Koopman Operator Theory. DMD and its variants comprise a class of equation-free methods for dimensionality reduction of time-dependent nonlinear dynamical systems. DMD furnishes an explicit reduced representation of system states in terms of spatiotemporally varying modes with time-dependent oscillation frequencies and amplitudes. We use DMD to predict the steady and equilibrium macroscale state of a realistic two-fluid porous medium system imaged using micro-computed tomography (µCT) and simulated using the lattice Boltzmann method (LBM). We apply Koopman DMD to direct numerical simulation data resulting from simulations of multiphase fluid flow through a 1440x1440x4320 section of a full 1600x1600x5280 realization of imaged sandstone. We determine a representative set of system observables via dimensionality reduction techniques including linear and kernel principal component analysis. We demonstrate how this subset of macroscale quantities furnishes a representation of the time-evolution of the system in terms of dynamic modes, and discuss the selection of a subset of DMD modes yielding the optimal reduced model, as well as the time-dependence of the error in the predicted equilibrium value of each macroscale quantity. Finally, we describe how the above procedure, modified to incorporate methods from compressed sensing and random projection techniques, may be used in an online fashion to facilitate adaptive time-stepping and parsimonious storage of system states over time.

Analysis of Nanoporosity in Moisture Permeation Barrier Layers by Electrochemical Impedance Spectroscopy.

PubMed

Perrotta, Alberto; García, Santiago J; Michels, Jasper J; Andringa, Anne-Marije; Creatore, Mariadriana

2015-07-29

Water permeation in inorganic moisture permeation barriers occurs through macroscale defects/pinholes and nanopores, the latter with size approaching the water kinetic diameter (0.27 nm). Both permeation paths can be identified by the calcium test, i.e., a time-consuming and expensive optical method for determining the water vapor transmission rate (WVTR) through barrier layers. Recently, we have shown that ellipsometric porosimetry (i.e., a combination of spectroscopic ellipsometry and isothermal adsorption studies) is a valid method to classify and quantify the nanoporosity and correlate it with the WVTR values. Nevertheless, no information is obtained about the macroscale defects or the kinetics of water permeation through the barrier, both essential in assessing the quality of the barrier layer. In this study, electrochemical impedance spectroscopy (EIS) is shown as a sensitive and versatile method to obtain information on nanoporosity and macroscale defects, water permeation, and diffusivity of moisture barrier layers, complementing the barrier property characterization obtained by means of EP and calcium test. EIS is performed on thin SiO2 barrier layers deposited by plasma enhanced-CVD. It allows the determination of the relative water uptake in the SiO2 layers, found to be in agreement with the nanoporosity content inferred by EP. Furthermore, the kinetics of water permeation is followed by EIS, and the diffusivity (D) is determined and found to be in accordance with literature values. Moreover, differently from EP, EIS data are shown to be sensitive to the presence of local macrodefects, correlated with the barrier failure during the calcium test.

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

Siranosian, Antranik Antonio; Schembri, Philip Edward; Luscher, Darby Jon

The Los Alamos National Laboratory's Weapon Systems Engineering division's Advanced Engineering Analysis group employs material constitutive models of composites for use in simulations of components and assemblies of interest. Experimental characterization, modeling and prediction of the macro-scale (i.e. continuum) behaviors of these composite materials is generally difficult because they exhibit nonlinear behaviors on the meso- (e.g. micro-) and macro-scales. Furthermore, it can be difficult to measure and model the mechanical responses of the individual constituents and constituent interactions in the composites of interest. Current efforts to model such composite materials rely on semi-empirical models in which meso-scale properties are inferredmore » from continuum level testing and modeling. The proposed approach involves removing the difficulties of interrogating and characterizing micro-scale behaviors by scaling-up the problem to work with macro-scale composites, with the intention of developing testing and modeling capabilities that will be applicable to the mesoscale. This approach assumes that the physical mechanisms governing the responses of the composites on the meso-scale are reproducible on the macro-scale. Working on the macro-scale simplifies the quantification of composite constituents and constituent interactions so that efforts can be focused on developing material models and the testing techniques needed for calibration and validation. Other benefits to working with macro-scale composites include the ability to engineer and manufacture—potentially using additive manufacturing techniques—composites that will support the application of advanced measurement techniques such as digital volume correlation and three-dimensional computed tomography imaging, which would aid in observing and quantifying complex behaviors that are exhibited in the macro-scale composites of interest. Ultimately, the goal of this new approach is to develop a meso-scale composite modeling framework, applicable to many composite materials, and the corresponding macroscale testing and test data interrogation techniques to support model calibration.« less

Macroscale superlubricity enabled by graphene nanoscroll formation

NASA Astrophysics Data System (ADS)

Berman, Diana; Deshmukh, Sanket A.; Sankaranarayanan, Subramanian K. R. S.; Erdemir, Ali; Sumant, Anirudha V.

2015-06-01

Friction and wear remain as the primary modes of mechanical energy dissipation in moving mechanical assemblies; thus, it is desirable to minimize friction in a number of applications. We demonstrate that superlubricity can be realized at engineering scale when graphene is used in combination with nanodiamond particles and diamondlike carbon (DLC). Macroscopic superlubricity originates because graphene patches at a sliding interface wrap around nanodiamonds to form nanoscrolls with reduced contact area that slide against the DLC surface, achieving an incommensurate contact and substantially reduced coefficient of friction (~0.004). Atomistic simulations elucidate the overall mechanism and mesoscopic link bridging the nanoscale mechanics and macroscopic experimental observations.

Comparing Macroscale and Microscale Simulations of Porous Battery Electrodes

DOE PAGES

Higa, Kenneth; Wu, Shao-Ling; Parkinson, Dilworth Y.; ...

2017-06-22

This article describes a vertically-integrated exploration of NMC electrode rate limitations, combining experiments with corresponding macroscale (macro-homogeneous) and microscale models. Parameters common to both models were obtained from experiments or based on published results. Positive electrode tortuosity was the sole fitting parameter used in the macroscale model, while the microscale model used no fitting parameters, instead relying on microstructural domains generated from X-ray microtomography of pristine electrode material held under compression while immersed in electrolyte solution (additionally providing novel observations of electrode wetting). Macroscale simulations showed that the capacity decrease observed at higher rates resulted primarily from solution-phase diffusion resistance.more » This ability to provide such qualitative insights at low computational costs is a strength of macroscale models, made possible by neglecting electrode spatial details. To explore the consequences of such simplification, the corresponding, computationally-expensive microscale model was constructed. This was found to have limitations preventing quantitatively accurate predictions, for reasons that are discussed in the hope of guiding future work. Nevertheless, the microscale simulation results complement those of the macroscale model by providing a reality-check based on microstructural information; in particular, this novel comparison of the two approaches suggests a reexamination of salt diffusivity measurements.« less

Environmental drivers defining linkages among life-history traits: mechanistic insights from a semiterrestrial amphipod subjected to macroscale gradients.

PubMed

Gómez, Julio; Barboza, Francisco R; Defeo, Omar

2013-10-01

Determining the existence of interconnected responses among life-history traits and identifying underlying environmental drivers are recognized as key goals for understanding the basis of phenotypic variability. We studied potentially interconnected responses among senescence, fecundity, embryos size, weight of brooding females, size at maturity and sex ratio in a semiterrestrial amphipod affected by macroscale gradients in beach morphodynamics and salinity. To this end, multiple modelling processes based on generalized additive mixed models were used to deal with the spatio-temporal structure of the data obtained at 10 beaches during 22 months. Salinity was the only nexus among life-history traits, suggesting that this physiological stressor influences the energy balance of organisms. Different salinity scenarios determined shifts in the weight of brooding females and size at maturity, having consequences in the number and size of embryos which in turn affected sex determination and sex ratio at the population level. Our work highlights the importance of analysing field data to find the variables and potential mechanisms that define concerted responses among traits, therefore defining life-history strategies.

Measurement of CO2 diffusivity for carbon sequestration: a microfluidic approach for reservoir-specific analysis.

PubMed

Sell, Andrew; Fadaei, Hossein; Kim, Myeongsub; Sinton, David

2013-01-02

Predicting carbon dioxide (CO(2)) security and capacity in sequestration requires knowledge of CO(2) diffusion into reservoir fluids. In this paper we demonstrate a microfluidic based approach to measuring the mutual diffusion coefficient of carbon dioxide in water and brine. The approach enables formation of fresh CO(2)-liquid interfaces; the resulting diffusion is quantified by imaging fluorescence quenching of a pH-dependent dye, and subsequent analyses. This method was applied to study the effects of site-specific variables--CO(2) pressure and salinity levels--on the diffusion coefficient. In contrast to established, macro-scale pressure-volume-temperature cell methods that require large sample volumes and testing periods of hours/days, this approach requires only microliters of sample, provides results within minutes, and isolates diffusive mass transport from convective effects. The measured diffusion coefficient of CO(2) in water was constant (1.86 [± 0.26] × 10(-9) m(2)/s) over the range of pressures (5-50 bar) tested at 26 °C, in agreement with existing models. The effects of salinity were measured with solutions of 0-5 M NaCl, where the diffusion coefficient varied up to 3 times. These experimental data support existing theory and demonstrate the applicability of this method for reservoir-specific testing.

Alternative method for quantification of alfa-amylase activity.

PubMed

Farias, D F; Carvalho, A F U; Oliveira, C C; Sousa, N M; Rocha-Bezerrra, L C B; Ferreira, P M P; Lima, G P G; Hissa, D C

2010-05-01

A modification of the sensitive agar diffusion method was developed for macro-scale determination of alfa-amylase. The proposed modifications lower costs with the utilisation of starch as substrate and agar as supporting medium. Thus, a standard curve was built using alfa-amylase solution from Aspergillus oryzae, with concentrations ranging from 2.4 to 7,500 U.mL-1. Clear radial diffusion zones were measured after 4 hours of incubation at 20 A degrees C. A linear relationship between the logarithm of enzyme activities and the area of clear zones was obtained. The method was validated by testing alpha-amylase from barley at the concentrations of 2.4; 60; 300 and 1,500 U.mL-1. The proposed method turned out to be simpler, faster, less expensive and able to determine on a macro-scale alpha-amylase over a wide range (2.4 to 7,500 U.mL-1) in scientific investigation as well as in teaching laboratory activities.

A similarity based approach to identify homogeneous regions for seasonal forecasting

NASA Astrophysics Data System (ADS)

Schick, Simon; Rössler, Ole; Weingartner, Rolf

2015-04-01

Seasonal runoff forecasting using statistical models is challenged by a large number of candidate predictors and a general weak predictor-predictand relationship. As the area of the target basin increases, often also the available data sets do, thus reinforcing the predictor selection challenge. We propose an approach which follows the idea of 'divide and conquer' as developed in computational sciences and machine learning: First, the macroscale target basin is partitioned into homogeneous regions using all its gauged mesoscale subbasins. Second, one representative subbasin per homogeneous region is identified, for which models are fitted and applied. Third, the resulting forecasts are combined at the scale of the macroscale target basin. This approach requires a suitable method to identify homogeneous regions and representative subbasins. We suggest a way based on hydrological similarity, as catchment similarity estimated with respect to physiographic-climatic descriptors does not necessarily imply similar runoff response. Each descriptor is derived from daily runoff series and aimed to reflect a specific catchment characteristic: autocorrelation coefficient, parameters of fitted Gamma distribution and low/high flow indices (based on daily runoff values) fluctuation of the standard deviation within the yearly cycle (based on weekly runoff values) dominant harmonics obtained from the discrete Fourier transform (based on monthly runoff values) long term trend (based on yearly runoff values) Where necessary, the runoff series first need to be standardized, aggregated, detrended or deseasonalized. As a preliminary study we present the results of a cluster analysis for the Swiss Rhine River as macroscale target basin, which leads to about 40 mesoscale subbasins with runoff series for the period 1991-2010. Problems we have to address include the choice of a clustering algorithm, the identification of an appropriate number of regions and the selection of representative subbasins per region. The results are finally discussed with respect to the runoff regimes as defined in the Hydrological Atlas of Switzerland.

Comparison of up-scaling methods in poroelasticity and its generalizations

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

Berryman, J G

2003-12-13

Four methods of up-scaling coupled equations at the microscale to equations valid at the mesoscale and/or macroscale for fluid-saturated and partially saturated porous media will be discussed, compared, and contrasted. The four methods are: (1) effective medium theory, (2) mixture theory, (3) two-scale and multiscale homogenization, and (4) volume averaging. All these methods have advantages for some applications and disadvantages for others. For example, effective medium theory, mixture theory, and homogenization methods can all give formulas for coefficients in the up-scaled equations, whereas volume averaging methods give the form of the up-scaled equations but generally must be supplemented with physicalmore » arguments and/or data in order to determine the coefficients. Homogenization theory requires a great deal of mathematical insight from the user in order to choose appropriate scalings for use in the resulting power-law expansions, while volume averaging requires more physical insight to motivate the steps needed to find coefficients. Homogenization often is performed on periodic models, while volume averaging does not require any assumption of periodicity and can therefore be related very directly to laboratory and/or field measurements. Validity of the homogenization process is often limited to specific ranges of frequency - in order to justify the scaling hypotheses that must be made - and therefore cannot be used easily over wide ranges of frequency. However, volume averaging methods can quite easily be used for wide band data analysis. So, we learn from these comparisons that a researcher in the theory of poroelasticity and its generalizations needs to be conversant with two or more of these methods to solve problems generally.« less

Friction. Macroscale superlubricity enabled by graphene nanoscroll formation.

PubMed

Berman, Diana; Deshmukh, Sanket A; Sankaranarayanan, Subramanian K R S; Erdemir, Ali; Sumant, Anirudha V

2015-06-05

Friction and wear remain as the primary modes of mechanical energy dissipation in moving mechanical assemblies; thus, it is desirable to minimize friction in a number of applications. We demonstrate that superlubricity can be realized at engineering scale when graphene is used in combination with nanodiamond particles and diamondlike carbon (DLC). Macroscopic superlubricity originates because graphene patches at a sliding interface wrap around nanodiamonds to form nanoscrolls with reduced contact area that slide against the DLC surface, achieving an incommensurate contact and substantially reduced coefficient of friction (~0.004). Atomistic simulations elucidate the overall mechanism and mesoscopic link bridging the nanoscale mechanics and macroscopic experimental observations. Copyright © 2015, American Association for the Advancement of Science.

Scalar rate correlation at a turbulent liquid free surface - A two-regime correlation for high Schmidt numbers

NASA Technical Reports Server (NTRS)

Khoo, Boo-Cheong; Sonin, Ain A.

1992-01-01

An experimental correlation is derived for gas absorption at a turbulent, shear-free liquid interface. The correlation is expressed in terms of the liquid-side turbulence intensity, liquid-side macroscale, and the properties of the diffusing gas and solvent. The transfer coefficient increases linearly with rms velocity up to a point where the eddy Reynolds number reaches a critical (Schmidt number dependent) value. At higher velocities, there is a more rapid linear rise. The slope of the lower Reynolds number region is proportional to the square root of the diffusivity; at Reynolds numbers much higher than that of the break point, the slope becomes independent of diffusivity.

Method and apparatus for determination of mechanical properties of functionally-graded materials

DOEpatents

Giannakopoulos, Antonios E.; Suresh, Subra

1999-01-01

Techniques for the determination of mechanical properties of homogenous or functionally-graded materials from indentation testing are presented. The technique is applicable to indentation on the nano-scale through the macro-scale including the geological scale. The technique involves creating a predictive load/depth relationship for a sample, providing an experimental load/depth relationship, comparing the experimental data to the predictive data, and determining a physical characteristic from the comparison.

Tracking interface and common curve dynamics for two-fluid flow in porous media

DOE PAGES

Mcclure, James E.; Miller, Cass T.; Gray, W. G.; ...

2016-04-29

Pore-scale studies of multiphase flow in porous medium systems can be used to understand transport mechanisms and quantitatively determine closure relations that better incorporate microscale physics into macroscale models. Multiphase flow simulators constructed using the lattice Boltzmann method provide a means to conduct such studies, including both the equilibrium and dynamic aspects. Moving, storing, and analyzing the large state space presents a computational challenge when highly-resolved models are applied. We present an approach to simulate multiphase flow processes in which in-situ analysis is applied to track multiphase flow dynamics at high temporal resolution. We compute a comprehensive set of measuresmore » of the phase distributions and the system dynamics, which can be used to aid fundamental understanding and inform closure relations for macroscale models. The measures computed include microscale point representations and macroscale averages of fluid saturations, the pressure and velocity of the fluid phases, interfacial areas, interfacial curvatures, interface and common curve velocities, interfacial orientation tensors, phase velocities and the contact angle between the fluid-fluid interface and the solid surface. Test cases are studied to validate the approach and illustrate how measures of system state can be obtained and used to inform macroscopic theory.« less

On Multiscale Modeling: Preserving Energy Dissipation Across the Scales with Consistent Handshaking Methods

NASA Technical Reports Server (NTRS)

Pineda, Evan J.; Bednarcyk, Brett A.; Arnold, Steven M.; Waas, Anthony M.

2013-01-01

A mesh objective crack band model was implemented within the generalized method of cells micromechanics theory. This model was linked to a macroscale finite element model to predict post-peak strain softening in composite materials. Although a mesh objective theory was implemented at the microscale, it does not preclude pathological mesh dependence at the macroscale. To ensure mesh objectivity at both scales, the energy density and the energy release rate must be preserved identically across the two scales. This requires a consistent characteristic length or localization limiter. The effects of scaling (or not scaling) the dimensions of the microscale repeating unit cell (RUC), according to the macroscale element size, in a multiscale analysis was investigated using two examples. Additionally, the ramifications of the macroscale element shape, compared to the RUC, was studied.

Understanding fast macroscale fracture from microcrack post mortem patterns

PubMed Central

Guerra, Claudia; Scheibert, Julien; Bonamy, Daniel; Dalmas, Davy

2012-01-01

Dynamic crack propagation drives catastrophic solid failures. In many amorphous brittle materials, sufficiently fast crack growth involves small-scale, high-frequency microcracking damage localized near the crack tip. The ultrafast dynamics of microcrack nucleation, growth, and coalescence is inaccessible experimentally and fast crack propagation was therefore studied only as a macroscale average. Here, we overcome this limitation in polymethylmethacrylate, the archetype of brittle amorphous materials: We reconstruct the complete spatiotemporal microcracking dynamics, with micrometer/nanosecond resolution, through post mortem analysis of the fracture surfaces. We find that all individual microcracks propagate at the same low, load-independent velocity. Collectively, the main effect of microcracks is not to slow down fracture by increasing the energy required for crack propagation, as commonly believed, but on the contrary to boost the macroscale velocity through an acceleration factor selected on geometric grounds. Our results emphasize the key role of damage-related internal variables in the selection of macroscale fracture dynamics. PMID:22203962

Analysis of the mechanical behavior of a titanium scaffold with a repeating unit-cell substructure.

PubMed

Ryan, Garrett; McGarry, Patrick; Pandit, Abhay; Apatsidis, Dimitrios

2009-08-01

Titanium scaffolds with controlled microarchitecture have been developed for load bearing orthopedic applications. The controlled microarchitecture refers to a repeating array of unit-cells, composed of sintered titanium powder, which make up the scaffold structure. The objective of this current research was to characterize the mechanical performance of three scaffolds with increasing porosity, using finite element analysis (FEA) and to compare the results with experimental data. Scaffolds were scanned using microcomputed tomography and FEA models were generated from the resulting computer models. Macroscale and unit-cell models of the scaffolds were created. The material properties of the sintered titanium powders were first evaluated in mechanical tests and the data used in the FEA. The macroscale and unit-cell FEA models proved to be a good predictor of Young's modulus and yield strength. Although macroscale models showed similar failure patterns and an expected trend in UCS, strain at UCS did not compare well with experimental data. Since a rapid prototyping method was used to create the scaffolds, the original CAD geometries of the scaffold were also evaluated using FEA but they did not reflect the mechanical properties of the physical scaffolds. This indicates that at present, determining the actual geometry of the scaffold through computed tomography imaging is important. Finally, a fatigue analysis was performed on the scaffold to simulate the loading conditions it would experience as a spinal interbody fusion device.

Multiscale Mechanical Characterization of Biomimetic Physically Associating Gels

DTIC Science & Technology

2006-09-01

work, a ballistic gelatin and two styrene- isoprene triblock copolymer gels are tested and compared using both macroscale and microscale measurements... isoprene triblock copolymer gels are tested and compared using both macroscale and microscale measurements. A methodology is presented to conduct

Systems and Methods for Implementing Bulk Metallic Glass-Based Macroscale Compliant Mechanisms

NASA Technical Reports Server (NTRS)

Hofmann, Douglas C. (Inventor); Agnes, Gregory (Inventor)

2017-01-01

Systems and methods in accordance with embodiments of the invention implement bulk metallic glass-based macroscale compliant mechanisms. In one embodiment, a bulk metallic glass-based macroscale compliant mechanism includes: a flexible member that is strained during the normal operation of the compliant mechanism; where the flexible member has a thickness of 0.5 mm; where the flexible member comprises a bulk metallic glass-based material; and where the bulk metallic glass-based material can survive a fatigue test that includes 1000 cycles under a bending loading mode at an applied stress to ultimate strength ratio of 0.25.

Molecular shear heating and vortex dynamics in thermostatted two dimensional Yukawa liquids

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

Gupta, Akanksha; Ganesh, Rajaraman, E-mail: ganesh@ipr.res.in; Joy, Ashwin

2016-07-15

It is well known that two-dimensional macroscale shear flows are susceptible to instabilities leading to macroscale vortical structures. The linear and nonlinear fate of such a macroscale flow in a strongly coupled medium is a fundamental problem. A popular example of a strongly coupled medium is a dusty plasma, often modelled as a Yukawa liquid. Recently, laboratory experiments and molecular dynamics (MD) studies of shear flows in strongly coupled Yukawa liquids indicated the occurrence of strong molecular shear heating, which is found to reduce the coupling strength exponentially leading to the destruction of macroscale vorticity. To understand the vortex dynamicsmore » of strongly coupled molecular fluids undergoing macroscale shear flows and molecular shear heating, MD simulation has been performed, which allows the macroscopic vortex dynamics to evolve, while at the same time “removes” the microscopically generated heat without using the velocity degrees of freedom. We demonstrate that by using a configurational thermostat in a novel way, the microscale heat generated by shear flow can be thermostatted out efficiently without compromising the large scale vortex dynamics. In the present work, using MD simulations, a comparative study of shear flow evolution in Yukawa liquids in the presence and absence of molecular or microscopic heating is presented for a prototype shear flow, namely, Kolmogorov flow.« less

Direct numerical simulations in solid mechanics for quantifying the macroscale effects of microstructure and material model-form error

DOE PAGES

Bishop, Joseph E.; Emery, John M.; Battaile, Corbett C.; ...

2016-03-16

Two fundamental approximations in macroscale solid-mechanics modeling are (1) the assumption of scale separation in homogenization theory and (2) the use of a macroscopic plasticity material model that represents, in a mean sense, the multitude of inelastic processes occurring at the microscale. With the goal of quantifying the errors induced by these approximations on engineering quantities of interest, we perform a set of direct numerical simulations (DNS) in which polycrystalline microstructures are embedded throughout a macroscale structure. The largest simulations model over 50,000 grains. The microstructure is idealized using a randomly close-packed Voronoi tessellation in which each polyhedral Voronoi cellmore » represents a grain. An face centered cubic crystal-plasticity model is used to model the mechanical response of each grain. The overall grain structure is equiaxed, and each grain is randomly oriented with no overall texture. The detailed results from the DNS simulations are compared to results obtained from conventional macroscale simulations that use homogeneous isotropic plasticity models. The macroscale plasticity models are calibrated using a representative volume element of the idealized microstructure. Furthermore, we envision that DNS modeling will be used to gain new insights into the mechanics of material deformation and failure.« less

Some surprising manifestations of charged particle dynamics in a magnetic field

NASA Astrophysics Data System (ADS)

Varma, Ram K.

2010-08-01

We present here some very unusual experimental results on the dynamics of charged particle in a magnetic field which cannot be comprehended in terms of the Lorentz dynamics regarded, as per the current conceptual framework, as the appropriate one for the macro-scale description. Astonishingly, these results have been shown to be manifestations of a novel macro-scale quantum structure, designated as ‘transition amplitude wave’ (TAW), riding with the guiding centre trajectory, which is generated in the latter trajectory in consequence of the scattering of the particle with a fixed scattering centre. One set of observed results is thus identified as matter wave interference effects on the macro-scale attributable to this entity. The other enigmatic observation demonstrates the detection of a curl-free magnetic vector potential on the macro-scale, which is also shown to be a consequence of the TAW embedded in the Lorentz trajectory. These enigmatic results thus point to the unravelling of a new concept of a ‘dressed’ Lorentz trajectory—dressed with the TAW—accountable for these results, as against the ‘bare’ trajectory. These results and the formalism which enables one to comprehend them have led to the emergence of a new class of phenomena which display quantum properties on the macro-scale.

Microstructural, nanomechanical, and microtribological properties of Pb thin films prepared by pulsed laser deposition and thermal evaporation techniques

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

Broitman, Esteban, E-mail: esbro@ifm.liu.se; Flores-Ruiz, Francisco J.; Di Giulio, Massimo

2016-03-15

In this work, the authors compare the morphological, structural, nanomechanical, and microtribological properties of Pb films deposited by thermal evaporation (TE) and pulsed laser deposition (PLD) techniques onto Si (111) substrates. Films were investigated by scanning electron microscopy, surface probe microscopy, and x-ray diffraction in θ-2θ geometry to determine their morphology, root-mean-square (RMS) roughness, and microstructure, respectively. TE films showed a percolated morphology with densely packed fibrous grains while PLD films had a granular morphology with a columnar and tightly packed structure in accordance with the zone growth model of Thornton. Moreover, PLD films presented a more polycrystalline structure withmore » respect to TE films, with RMS roughness of 14 and 10 nm, respectively. Hardness and elastic modulus vary from 2.1 to 0.8 GPa and from 14 to 10 GPa for PLD and TE films, respectively. A reciprocal friction test has shown that PLD films have lower friction coefficient and wear rate than TE films. Our study has demonstrated for first time that, at the microscale, Pb films do not show the same simple lubricious properties measured at the macroscale.« less

Glacial influences on solar radiation in a subarctic sea.

PubMed

Barron, Mace G; Barron, Kyle J

2005-01-01

Understanding macroscale processes controlling solar radiation in marine systems will be important in interpreting the potential effects of global change from increasing ultraviolet radiation (UV) and glacial retreat. This study provides the first quantitative assessment of UV in the water column of Prince William Sound, a subarctic, semienclosed sea surrounded by mountains, glaciers, rivers, bays and fjords in south central Alaska. Glacial influences on diffuse attenuation coefficients (Kd) were determined along an approximate 120 km transect running NE (61 degrees 07'43''N, 146 degrees 17'1''W) to SW (60 degrees 27'25''N, 148 degrees 05'27'' W). Glacial meltwater and flour caused a 10-fold increase in Kd for visible light, UV-A and UV-B, whereas high optical clarity was present in a diversity of areas away from glacial influences. Transition areas and locations affected by calving of a tidewater glacier had intermediate Kd values. Depths at 99% attenuation ranged from less than 0.2 m near glacial streams to greater than 5 m in bays and open ocean distant from sources of glacial sediments. These results suggest that potential global change from increasing UV and glacial retreat may have heterogeneous effects on subarctic marine systems.

Shock interaction with deformable particles using a constrained interface reinitialization scheme

NASA Astrophysics Data System (ADS)

Sridharan, P.; Jackson, T. L.; Zhang, J.; Balachandar, S.; Thakur, S.

2016-02-01

In this paper, we present axisymmetric numerical simulations of shock propagation in nitromethane over an aluminum particle for post-shock pressures up to 10 GPa. We use the Mie-Gruneisen equation of state to describe both the medium and the particle. The numerical method is a finite-volume based solver on a Cartesian grid, that allows for multi-material interfaces and shocks, and uses a novel constrained reinitialization scheme to precisely preserve particle mass and volume. We compute the unsteady inviscid drag coefficient as a function of time, and show that when normalized by post-shock conditions, the maximum drag coefficient decreases with increasing post-shock pressure. We also compute the mass-averaged particle pressure and show that the observed oscillations inside the particle are on the particle-acoustic time scale. Finally, we present simplified point-particle models that can be used for macroscale simulations. In the Appendix, we extend the isothermal or isentropic assumption concerning the point-force models to non-ideal equations of state, thus justifying their use for the current problem.

Nonholonomic Hamiltonian Method for Meso-macroscale Simulations of Reacting Shocks

NASA Astrophysics Data System (ADS)

Fahrenthold, Eric; Lee, Sangyup

2015-06-01

The seamless integration of macroscale, mesoscale, and molecular scale models of reacting shock physics has been hindered by dramatic differences in the model formulation techniques normally used at different scales. In recent research the authors have developed the first unified discrete Hamiltonian approach to multiscale simulation of reacting shock physics. Unlike previous work, the formulation employs reacting themomechanical Hamiltonian formulations at all scales, including the continuum. Unlike previous work, the formulation employs a nonholonomic modeling approach to systematically couple the models developed at all scales. Example applications of the method show meso-macroscale shock to detonation simulations in nitromethane and RDX. Research supported by the Defense Threat Reduction Agency.

Macroscale hydrologic modeling of ecologically relevant flow metrics

Treesearch

Seth J. Wenger; Charles H. Luce; Alan F. Hamlet; Daniel J. Isaak; Helen M. Neville

2010-01-01

Stream hydrology strongly affects the structure of aquatic communities. Changes to air temperature and precipitation driven by increased greenhouse gas concentrations are shifting timing and volume of streamflows potentially affecting these communities. The variable infiltration capacity (VIC) macroscale hydrologic model has been employed at regional scales to describe...

Enhanced MicroChannel Heat Transfer in Macro-Geometry using Conventional Fabrication Approach

NASA Astrophysics Data System (ADS)

Ooi, KT; Goh, AL

2016-09-01

This paper presents studies on passive, single-phase, enhanced microchannel heat transfer in conventionally sized geometry. The intention is to allow economical, simple and readily available conventional fabrication techniques to be used for fabricating macro-scale heat exchangers with microchannel heat transfer capability. A concentric annular gap between a 20 mm diameter channel and an 19.4 mm diameter insert forms a microchannel where heat transfer occurs. Results show that the heat transfer coefficient of more than 50 kW/m·K can be obtained for Re≈4,000, at hydraulic diameter of 0.6 mm. The pressure drop values of the system are kept below 3.3 bars. The present study re-confirms the feasibility of fabricating macro-heat exchangers with microchannel heat transfer capability.

Orbit Determination and Navigation of the Time History of Events and Macroscale Interactions during Substorms (THEMIS)

NASA Technical Reports Server (NTRS)

Morinelli, Patrick; Cosgrove, Jennifer; Blizzard, Mike; Robertson, Mike

2007-01-01

This paper provides an overview of the launch and early orbit activities performed by the NASA Goddard Space Flight Center's (GSFC) Flight Dynamics Facility (FDF) in support of five probes comprising the Time History of Events and Macroscale Interactions during Substorms (THEMIS) spacecraft. The FDF was tasked to support THEMIS in a limited capacity providing backup orbit determination support for validation purposes for all five THEMIS probes during launch plus 30 days in coordination with University of California Berkeley Flight Dynamics Center (UCB/FDC)2. The FDF's orbit determination responsibilities were originally planned to be as a backup to the UCB/FDC for validation purposes only. However, various challenges early on in the mission and a Spacecraft Emergency declared thirty hours after launch placed the FDF team in the role of providing the orbit solutions that enabled contact with each of the probes and the eventual termination of the Spacecraft Emergency. This paper details the challenges and various techniques used by the GSFC FDF team to successfully perform orbit determination for all five THEMIS probes during the early mission. In addition, actual THEMIS orbit determination results are presented spanning the launch and early orbit mission phase. Lastly, this paper enumerates lessons learned from the THEMIS mission, as well as demonstrates the broad range of resources and capabilities within the FDF for supporting critical launch and early orbit navigation activities, especially challenging for constellation missions.

Orbit Determination and Navigation of the Time History of Events and Macroscale Interactions during Substorms (THEMIS)

NASA Technical Reports Server (NTRS)

Morinelli, Patrick; Cosgrove, jennifer; Blizzard, Mike; Nicholson, Ann; Robertson, Mika

2007-01-01

This paper provides an overview of the launch and early orbit activities performed by the NASA Goddard Space Flight Center's (GSFC) Flight Dynamics Facility (FDF) in support of five probes comprising the Time History of Events and Macroscale Interactions during Substorms (THEMIS) spacecraft. The FDF was tasked to support THEMIS in a limited capacity providing backup orbit determination support for validation purposes for all five THEMIS probes during launch plus 30 days in coordination with University of California Berkeley Flight Dynamics Center (UCB/FDC). The FDF's orbit determination responsibilities were originally planned to be as a backup to the UCB/FDC for validation purposes only. However, various challenges early on in the mission and a Spacecraft Emergency declared thirty hours after launch placed the FDF team in the role of providing the orbit solutions that enabled contact with each of the probes and the eventual termination of the Spacecraft Emergency. This paper details the challenges and various techniques used by the GSFC FDF team to successfully perform orbit determination for all five THEMIS probes during the early mission. In addition, actual THEMIS orbit determination results are presented spanning the launch and early orbit mission phase. Lastly, this paper enumerates lessons learned from the THEMIS mission, as well as demonstrates the broad range of resources and capabilities within the FDF for supporting critical launch and early orbit navigation activities, especially challenging for constellation missions.

Biological invasion hotspots: a trait-based perspective reveals new sub-continental patterns

Treesearch

Basil V. Iannone III; Kevin M. Potter; Qinfeng Guo; Andrew M. Liebhold; Bryan C. Pijanowski; Christopher M. Oswalt; Songlin Fei

2015-01-01

Invader traits (including plant growth form) may play an important, and perhaps overlooked, role in determining macroscale patterns of biological invasions and therefore warrant greater consideration in future investigations aimed at understanding these patterns. To assess this need, we used empirical data from a national-level survey of forest in the contiguous 48...

Understanding macroscale invasion patterns and processes with FIA data

Treesearch

Songlin Fei; Basil V. Iannone III; Christopher M. Oswalt; Qinfeng Guo; Kevin M. Potter; Sonja N. Oswalt; Bryan C. Pijanowski; Gabriela C. Nunez-Mir

2015-01-01

Using empirical data from FIA, we modeled invasion richness and invasion prevalence as functions of 22 factors reflective of propagule pressure and/or habitat invasibility across the continental US. Our statistical models suggest that both propagule pressure and habitat invasibility contribute to macroscale patterns of forest plant invasions. Our investigation provides...

Pairwise frictional profile between particles determines discontinuous shear thickening transition in non-colloidal suspensions

PubMed Central

Comtet, Jean; Chatté, Guillaume; Niguès, Antoine; Bocquet, Lydéric; Siria, Alessandro; Colin, Annie

2017-01-01

The process by which sheared suspensions go through a dramatic change in viscosity is known as discontinuous shear thickening. Although well-characterized on the macroscale, the microscopic mechanisms at play in this transition are still poorly understood. Here, by developing new experimental procedures based on quartz-tuning fork atomic force microscopy, we measure the pairwise frictional profile between approaching pairs of polyvinyl chloride and cornstarch particles in solvent. We report a clear transition from a low-friction regime, where pairs of particles support a finite normal load, while interacting purely hydrodynamically, to a high-friction regime characterized by hard repulsive contact between the particles and sliding friction. Critically, we show that the normal stress needed to enter the frictional regime at nanoscale matches the critical stress at which shear thickening occurs for macroscopic suspensions. Our experiments bridge nano and macroscales and provide long needed demonstration of the role of frictional forces in discontinuous shear thickening. PMID:28561032

Pairwise frictional profile between particles determines discontinuous shear thickening transition in non-colloidal suspensions.

PubMed

Comtet, Jean; Chatté, Guillaume; Niguès, Antoine; Bocquet, Lydéric; Siria, Alessandro; Colin, Annie

2017-05-31

The process by which sheared suspensions go through a dramatic change in viscosity is known as discontinuous shear thickening. Although well-characterized on the macroscale, the microscopic mechanisms at play in this transition are still poorly understood. Here, by developing new experimental procedures based on quartz-tuning fork atomic force microscopy, we measure the pairwise frictional profile between approaching pairs of polyvinyl chloride and cornstarch particles in solvent. We report a clear transition from a low-friction regime, where pairs of particles support a finite normal load, while interacting purely hydrodynamically, to a high-friction regime characterized by hard repulsive contact between the particles and sliding friction. Critically, we show that the normal stress needed to enter the frictional regime at nanoscale matches the critical stress at which shear thickening occurs for macroscopic suspensions. Our experiments bridge nano and macroscales and provide long needed demonstration of the role of frictional forces in discontinuous shear thickening.

Quantifying the impact of material-model error on macroscale quantities-of-interest using multiscale a posteriori error-estimation techniques

DOE PAGES

Brown, Judith A.; Bishop, Joseph E.

2016-07-20

An a posteriori error-estimation framework is introduced to quantify and reduce modeling errors resulting from approximating complex mesoscale material behavior with a simpler macroscale model. Such errors may be prevalent when modeling welds and additively manufactured structures, where spatial variations and material textures may be present in the microstructure. We consider a case where a <100> fiber texture develops in the longitudinal scanning direction of a weld. Transversely isotropic elastic properties are obtained through homogenization of a microstructural model with this texture and are considered the reference weld properties within the error-estimation framework. Conversely, isotropic elastic properties are considered approximatemore » weld properties since they contain no representation of texture. Errors introduced by using isotropic material properties to represent a weld are assessed through a quantified error bound in the elastic regime. Lastly, an adaptive error reduction scheme is used to determine the optimal spatial variation of the isotropic weld properties to reduce the error bound.« less

Line-scan macro-scale Raman chemical imaging for authentication of powdered foods and ingredients

USDA-ARS?s Scientific Manuscript database

Adulteration and fraud for powdered foods and ingredients are rising food safety risks that threaten consumers’ health. In this study, a newly developed line-scan macro-scale Raman imaging system using a 5 W 785 nm line laser as excitation source was used to authenticate the food powders. The system...

Effective grid-dependent dispersion coefficient for conservative and reactive transport simulations in heterogeneous porous media

NASA Astrophysics Data System (ADS)

Cortinez, J. M.; Valocchi, A. J.; Herrera, P. A.

2013-12-01

Because of the finite size of numerical grids, it is very difficult to correctly account for processes that occur at different spatial scales to accurately simulate the migration of conservative and reactive compounds dissolved in groundwater. In one hand, transport processes in heterogeneous porous media are controlled by local-scale dispersion associated to transport processes at the pore-scale. On the other hand, variations of velocity at the continuum- or Darcy-scale produce spreading of the contaminant plume, which is referred to as macro-dispersion. Furthermore, under some conditions both effects interact, so that spreading may enhance the action of local-scale dispersion resulting in higher mixing, dilution and reaction rates. Traditionally, transport processes at different spatial scales have been included in numerical simulations by using a single dispersion coefficient. This approach implicitly assumes that the separate effects of local-dispersion and macro-dispersion can be added and represented by a unique effective dispersion coefficient. Moreover, the selection of the effective dispersion coefficient for numerical simulations usually do not consider the filtering effect of the grid size over the small-scale flow features. We have developed a multi-scale Lagragian numerical method that allows using two different dispersion coefficients to represent local- and macro-scale dispersion. This technique considers fluid particles that carry solute mass and whose locations evolve according to a deterministic component given by the grid-scale velocity and a stochastic component that corresponds to a block-effective macro-dispersion coefficient. Mass transfer between particles due to local-scale dispersion is approximated by a meshless method. We use our model to test under which transport conditions the combined effect of local- and macro-dispersion are additive and can be represented by a single effective dispersion coefficient. We also demonstrate that for the situations where both processes are additive, an effective grid-dependent dispersion coefficient can be derived based on the concept of block-effective dispersion. We show that the proposed effective dispersion coefficient is able to reproduce dilution, mixing and reaction rates for a wide range of transport conditions similar to the ones found in many practical applications.

Cs-137 immobilization in C-S-H gel nanopores.

PubMed

Duque-Redondo, Eduardo; Kazuo, Yamada; López-Arbeloa, Iñigo; Manzano, Hegoi

2018-04-04

Cementation is a widespread technique to immobilize nuclear waste due to the low leachability of cementitious materials. The capacity of calcium silicate hydrate (C-S-H), the main component of cement, to retain radionuclide Cs has been empirically studied at the macroscale, yet the specific molecular scale mechanisms that govern the retention have not been determined. In this work, we employed molecular dynamics simulations to investigate the adsorption and diffusivity of Cs into a C-S-H gel nanopore. From the simulations, it was possible to distinguish three types of Cs adsorption configurations on the C-S-H: an inner-sphere surface site where Cs is strongly bound, an outer-sphere surface site where Cs is loosely bound, and Cs free in the nanopore. For each configuration, we determined the sorption energy, and the diffusion coefficients, up to two orders of magnitude lower than in bulk water due to the effect of nanoconfinement in the worst case scenario. It has also proved that Cs cannot displace the intrinsic Ca from the C-S-H surface, and we calculated the binding strength and the residence time of the cations in the surface adsorption sites. Finally, we quantified the average number of adsorption sites per nm2 of the C-S-H surface. All these results are the first insights into Cs retention in cement at the molecular scale and will be useful to build macroscopic diffusion models and devise cement formulations to improve radionuclide Cs retention from spent nuclear fuel.

Macroscale Transformation Optics Enabled by Photoelectrochemical Etching.

PubMed

Barth, David S; Gladden, Christopher; Salandrino, Alessandro; O'Brien, Kevin; Ye, Ziliang; Mrejen, Michael; Wang, Yuan; Zhang, Xiang

2015-10-28

Photoelectrochemical etching of silicon can be used to form lateral refractive index gradients for transformation optical devices. This technique allows the fabrication of macroscale devices with large refractive index gradients. Patterned porous layers can also be lifted from the substrate and transferred to other materials, creating more possibilities for novel devices. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Nondestructive chemical imaging of wood at the micro-scale: advanced technology to complement macro-scale evaluations

Treesearch

Barbara L. Illman; Julia Sedlmair; Miriam Unger; Carol Hirschmugl

2013-01-01

Chemical images help understanding of wood properties, durability, and cell wall deconstruction for conversion of lignocellulose to biofuels, nanocellulose and other value added chemicals in forest biorefineries. We describe here a new method for nondestructive chemical imaging of wood and wood-based materials at the micro-scale to complement macro-scale methods based...

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

Bishop, Joseph E.; Emery, John M.; Battaile, Corbett C.

Two fundamental approximations in macroscale solid-mechanics modeling are (1) the assumption of scale separation in homogenization theory and (2) the use of a macroscopic plasticity material model that represents, in a mean sense, the multitude of inelastic processes occurring at the microscale. With the goal of quantifying the errors induced by these approximations on engineering quantities of interest, we perform a set of direct numerical simulations (DNS) in which polycrystalline microstructures are embedded throughout a macroscale structure. The largest simulations model over 50,000 grains. The microstructure is idealized using a randomly close-packed Voronoi tessellation in which each polyhedral Voronoi cellmore » represents a grain. An face centered cubic crystal-plasticity model is used to model the mechanical response of each grain. The overall grain structure is equiaxed, and each grain is randomly oriented with no overall texture. The detailed results from the DNS simulations are compared to results obtained from conventional macroscale simulations that use homogeneous isotropic plasticity models. The macroscale plasticity models are calibrated using a representative volume element of the idealized microstructure. Furthermore, we envision that DNS modeling will be used to gain new insights into the mechanics of material deformation and failure.« less

An extremely simple macroscale electronic skin realized by deep machine learning.

PubMed

Sohn, Kee-Sun; Chung, Jiyong; Cho, Min-Young; Timilsina, Suman; Park, Woon Bae; Pyo, Myungho; Shin, Namsoo; Sohn, Keemin; Kim, Ji Sik

2017-09-11

Complicated structures consisting of multi-layers with a multi-modal array of device components, i.e., so-called patterned multi-layers, and their corresponding circuit designs for signal readout and addressing are used to achieve a macroscale electronic skin (e-skin). In contrast to this common approach, we realized an extremely simple macroscale e-skin only by employing a single-layered piezoresistive MWCNT-PDMS composite film with neither nano-, micro-, nor macro-patterns. It is the deep machine learning that made it possible to let such a simple bulky material play the role of a smart sensory device. A deep neural network (DNN) enabled us to process electrical resistance change induced by applied pressure and thereby to instantaneously evaluate the pressure level and the exact position under pressure. The great potential of this revolutionary concept for the attainment of pressure-distribution sensing on a macroscale area could expand its use to not only e-skin applications but to other high-end applications such as touch panels, portable flexible keyboard, sign language interpreting globes, safety diagnosis of social infrastructures, and the diagnosis of motility and peristalsis disorders in the gastrointestinal tract.

Race and Space in the 1990s: Changes in the Geographic Scale of Racial Residential Segregation, 1990-2000

PubMed Central

Reardon, Sean F.; Farrell, Chad R.; Matthews, Stephen A.; O'Sullivan, David; Bischoff, Kendra; Firebaugh, Glenn

2014-01-01

We use newly developed methods of measuring spatial segregation across a range of spatial scales to assess changes in racial residential segregation patterns in the 100 largest U.S. metropolitan areas from 1990 to 2000. Our results point to three notable trends in segregation from 1990 to 2000: 1) Hispanic-white and Asian-white segregation levels increased at both micro- and macro-scales; 2) black-white segregation declined at a micro-scale, but was unchanged at a macro-scale; and 3) for all three racial groups and for almost all metropolitan areas, macro-scale segregation accounted for more of the total metropolitan area segregation in 2000 than in 1990. Our examination of the variation in these trends among the metropolitan areas suggests that Hispanic-white and Asian-white segregation changes have been driven largely by increases in macro-scale segregation resulting from the rapid growth of the Hispanic and Asian populations in central cities. The changes in black-white segregation, in contrast, appear to be driven by the continuation of a 30-year trend in declining micro-segregation, coupled with persistent and largely stable patterns of macro-segregation. PMID:19569292

Microbial control of mineral–groundwater equilibria:Macroscale to microscale

USGS Publications Warehouse

Bennett, Philip C.; Hiebert, Franz K.; Roger, Jennifer Roberts

2000-01-01

macroscaleprocesses that perturb general groundwater chemistry and therefore mineral–water equilibria; and microscale interactions, where attached organisms locally perturb mineral–water equilibria, potentially releasing limiting trace nutrients from the dissolving mineral.In the contaminated unconfined glacio-fluvial aquifer near Bemidji, Minnesota, USA, carbonate chemistry is influenced primarily at the macroscale. Under oxic conditions, respiration by native aerobic heterotrophs produces excess carbon dioxide that promotes calcite and dolomite dissolution. Aerobic microorganisms do not colonize dolomite surfaces and few occur on calcite. Within the anoxic groundwater, calcite overgrowths form on uncolonized calcite cleavage surfaces, possibly due to the consumption of acidity by dissimilatory iron-reducing bacteria. As molecular oxygen concentration increases downgradient of the oil pool, aerobes again dominate and residual hydrocarbons and ferrous iron are oxidized, resulting in macroscale carbonate-mineral dissolution and iron precipitation.

Macroscale intraspecific variation and environmental heterogeneity: analysis of cold and warm zone abundance, mortality, and regeneration distributions of four eastern US tree species

Treesearch

Anantha M. Prasad

2015-01-01

I test for macroscale intraspecific variation of abundance, mortality, and regeneration of four eastern US tree species (Tsuga canadensis, Betula lenta, Liriodendron tulipifera, and Quercus prinus) by splitting them into three climatic zones based on plant hardiness zones (PHZs). The primary goals of the analysis are to assess the...

Multiscale Modeling of Cell Interaction in Angiogenesis: From the Micro- to Macro-scale

NASA Astrophysics Data System (ADS)

Pillay, Samara; Maini, Philip; Byrne, Helen

Solid tumors require a supply of nutrients to grow in size. To this end, tumors induce the growth of new blood vessels from existing vasculature through the process of angiogenesis. In this work, we use a discrete agent-based approach to model the behavior of individual endothelial cells during angiogenesis. We incorporate crowding effects through volume exclusion, motility of cells through biased random walks, and include birth and death processes. We use the transition probabilities associated with the discrete models to determine collective cell behavior, in terms of partial differential equations, using a Markov chain and master equation framework. We find that the cell-level dynamics gives rise to a migrating cell front in the form of a traveling wave on the macro-scale. The behavior of this front depends on the cell interactions that are included and the extent to which volume exclusion is taken into account in the discrete micro-scale model. We also find that well-established continuum models of angiogenesis cannot distinguish between certain types of cell behavior on the micro-scale. This may impact drug development strategies based on these models.

Investigating Deformation and Mesoscale Void Creation in HMX Based Composites using Tomography Based Grain Scale Finite Element Modeling

NASA Astrophysics Data System (ADS)

Walters, David J.; Luscher, Darby J.; Manner, Virginia; Yeager, John D.; Patterson, Brian M.

2017-06-01

The microstructure of plastic bonded explosives (PBXs) significantly affects their macroscale mechanical characteristics. Imaging and modeling of the mesoscale constituents allows for a detailed examination of the deformation of mechanically loaded PBXs. In this study, explosive composites, formulated with HMX crystals and various HTPB based polymer binders have been imaged using micro Computed Tomography (μCT). Cohesive parameters for simulation of the crystal/binder interface are determined by comparing numerical and experimental results of the delamination of a polymer bound bi-crystal system. Similarly, polycrystalline samples are discretized into a finite element mesh using the mesoscale geometry captured by in-situ μCT imaging. Experimentally, increasing the stiffness of the HTPB binder in the polycrystalline system resulted in a transition from ductile flow with little crystal/binder delamination to brittle behavior with increased void creation along the interfaces. Simulating the macroscale compression of these samples demonstrates the effects that the mesoscale geometry, cohesive properties, and binder stiffness have on the creation and distribution of interfacial voids. Understanding void nucleation is critical for modeling damage in these complex materials.

Characterizing the macro and micro mechanical properties of scaffolds for rotator cuff repair.

PubMed

Smith, Richard D J; Zargar, Nasim; Brown, Cameron P; Nagra, Navraj S; Dakin, Stephanie G; Snelling, Sarah J B; Hakimi, Osnat; Carr, Andrew

2017-11-01

Retearing after rotator cuff surgery is a major clinical problem. Numerous scaffolds are being used to try to reduce retear rates. However, few have demonstrated clinical efficacy. We hypothesize that this lack of efficacy is due to insufficient mechanical properties. Therefore, we compared the macro and nano/micro mechanical properties of 7 commercially available scaffolds to those of the human supraspinatus tendons, whose function they seek to restore. The clinically approved scaffolds tested were X-Repair, LARS ligament, Poly-Tape, BioFiber, GraftJacket, Permacol, and Conexa. Fresh frozen cadaveric human supraspinatus tendon samples were used. Macro mechanical properties were determined through tensile testing and rheometry. Scanning probe microscopy and scanning electron microscopy were performed to assess properties of materials at the nano/microscale (morphology, Young modulus, loss tangent). None of the scaffolds tested adequately approximated both the macro and micro mechanical properties of human supraspinatus tendon. Macroscale mechanical properties were insufficient to restore load-bearing function. The best-performing scaffolds on the macroscale (X-Repair, LARS ligament) had poor nano/microscale properties. Scaffolds approximating tendon properties on the nano/microscale (BioFiber, biologic scaffolds) had poor macroscale properties. Existing scaffolds failed to adequately approximate the mechanical properties of human supraspinatus tendons. Combining the macroscopic mechanical properties of a synthetic scaffold with the micro mechanical properties of biologic scaffold could better achieve this goal. Future work should focus on advancing techniques to create new scaffolds with more desirable mechanical properties. This may help improve outcomes for rotator cuff surgery patients. Copyright © 2017 Journal of Shoulder and Elbow Surgery Board of Trustees. Published by Elsevier Inc. All rights reserved.

Global cortical activity predicts shape of hand during grasping

PubMed Central

Agashe, Harshavardhan A.; Paek, Andrew Y.; Zhang, Yuhang; Contreras-Vidal, José L.

2015-01-01

Recent studies show that the amplitude of cortical field potentials is modulated in the time domain by grasping kinematics. However, it is unknown if these low frequency modulations persist and contain enough information to decode grasp kinematics in macro-scale activity measured at the scalp via electroencephalography (EEG). Further, it is unclear as to whether joint angle velocities or movement synergies are the optimal kinematics spaces to decode. In this offline decoding study, we infer from human EEG, hand joint angular velocities as well as synergistic trajectories as subjects perform natural reach-to-grasp movements. Decoding accuracy, measured as the correlation coefficient (r) between the predicted and actual movement kinematics, was r = 0.49 ± 0.02 across 15 hand joints. Across the first three kinematic synergies, decoding accuracies were r = 0.59 ± 0.04, 0.47 ± 0.06, and 0.32 ± 0.05. The spatial-temporal pattern of EEG channel recruitment showed early involvement of contralateral frontal-central scalp areas followed by later activation of central electrodes over primary sensorimotor cortical areas. Information content in EEG about the grasp type peaked at 250 ms after movement onset. The high decoding accuracies in this study are significant not only as evidence for time-domain modulation in macro-scale brain activity, but for the field of brain-machine interfaces as well. Our decoding strategy, which harnesses the neural “symphony” as opposed to local members of the neural ensemble (as in intracranial approaches), may provide a means of extracting information about motor intent for grasping without the need for penetrating electrodes and suggests that it may be soon possible to develop non-invasive neural interfaces for the control of prosthetic limbs. PMID:25914616

Fine-Scale Structure Design for 3D Printing

NASA Astrophysics Data System (ADS)

Panetta, Francis Julian

Modern additive fabrication technologies can manufacture shapes whose geometric complexities far exceed what existing computational design tools can analyze or optimize. At the same time, falling costs have placed these fabrication technologies within the average consumer's reach. Especially for inexpert designers, new software tools are needed to take full advantage of 3D printing technology. This thesis develops such tools and demonstrates the exciting possibilities enabled by fine-tuning objects at the small scales achievable by 3D printing. The thesis applies two high-level ideas to invent these tools: two-scale design and worst-case analysis. The two-scale design approach addresses the problem that accurately simulating--let alone optimizing--the full-resolution geometry sent to the printer requires orders of magnitude more computational power than currently available. However, we can decompose the design problem into a small-scale problem (designing tileable structures achieving a particular deformation behavior) and a macro-scale problem (deciding where to place these structures in the larger object). This separation is particularly effective, since structures for every useful behavior can be designed once, stored in a database, then reused for many different macroscale problems. Worst-case analysis refers to determining how likely an object is to fracture by studying the worst possible scenario: the forces most efficiently breaking it. This analysis is needed when the designer has insufficient knowledge or experience to predict what forces an object will undergo, or when the design is intended for use in many different scenarios unknown a priori. The thesis begins by summarizing the physics and mathematics necessary to rigorously approach these design and analysis problems. Specifically, the second chapter introduces linear elasticity and periodic homogenization. The third chapter presents a pipeline to design microstructures achieving a wide range of effective isotropic elastic material properties on a single-material 3D printer. It also proposes a macroscale optimization algorithm placing these microstructures to achieve deformation goals under prescribed loads. The thesis then turns to worst-case analysis, first considering the macroscale problem: given a user's design, the fourth chapter aims to determine the distribution of pressures over the surface creating the highest stress at any point in the shape. Solving this problem exactly is difficult, so we introduce two heuristics: one to focus our efforts on only regions likely to concentrate stresses and another converting the pressure optimization into an efficient linear program. Finally, the fifth chapter introduces worst-case analysis at the microscopic scale, leveraging the insight that the structure of periodic homogenization enables us to solve the problem exactly and efficiently. Then we use this worst-case analysis to guide a shape optimization, designing structures with prescribed deformation behavior that experience minimal stresses in generic use.

Hierarchical Co-Assembly Enhanced Direct Ink Writing.

PubMed

Li, Longyu; Zhang, Pengfei; Zhang, Zhiyun; Lin, Qianming; Wu, Yuyang; Cheng, Alexander; Lin, Yunxiao; Thompson, Christina M; Smaldone, Ronald A; Ke, Chenfeng

2018-04-23

Integrating intelligent molecular systems into 3D printing materials and transforming their molecular functions to the macroscale with controlled superstructures will unleash great potential for the development of smart materials. Compared to macromolecular 3D printing materials, self-assembled small-molecule-based 3D printing materials are very rare owing to the difficulties of facilitating 3D printability as well as preserving their molecular functions macroscopically. Herein, we report a general approach for the integration of functional small molecules into 3D printing materials for direct ink writing through the introduction of a supramolecular template. A variety of inorganic and organic small-molecule-based inks were 3D-printed, and their superstructures were refined by post-printing hierarchical co-assembly. Through spatial and temporal control of individual molecular events from the nano- to the macroscale, fine-tuned macroscale features were successfully installed in the monoliths. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Pore Scale Investigation of Wettability Alteration Through Chemically-Tuned Waterflooding in Oil-Wet Carbonate Rocks Using X-Ray Micro-Ct Imaging

NASA Astrophysics Data System (ADS)

Tawfik, M. S.; Karpyn, Z.

2017-12-01

Carbonate reservoirs host more than half of the remaining oil reserves worldwide. Due to their complex pore structure and intermediate to oil-wet nature, it is challenging to produce the remaining oil from these formations. For two decades, chemically tuned waterflooding (CTWF) has gained the attention of many researchers. Experimental, numerical, and field studies suggest that changes in ion composition of injected brine can increase oil recovery in carbonate reservoirs via wettability alteration. However, previous studies explaining the improvement in oil recovery by wettability alteration deduce wettability based on indirect measurements, including sessile drop contact angle measurements on polished rocks, relative permeability, chromatographic separation of SCN- and potential determining ions (PDIs), etc. CTWF literature offers no direct measurement of wettability alteration at the pore scale. This study proposes a direct pore-scale measurement of changes in interfacial curvatures before and after CTWF. Micro-coreflood experiments are performed to investigate the effect of injection brine salinity, ion composition and temperature on rock wettability at the pore scale. X-ray micro-CT scanning is used to obtain 3D image sets to calculate in-situ contact angle distributions. The study also aims to find a correlation between the magnitude of improvement in oil recovery at the macro-scale and the corresponding contact angle distribution at the pore-scale at different experimental conditions. Hence, macro-scale coreflood experiments are performed using the same conditions as the micro-corefloods. Macro-scale coreflood experiments have shown that brines with higher concentration of Ca2+, Mg2+ and SO42- ions have higher recoveries compared to standard seawater. This translates to wettability alteration into a more intermediate-wet state. This study enhances the understanding of the pore-scale physico-chemical mechanisms controlling wettability alteration via CTWF, which helps tune existing CTWF models, and therefore results in more well-informed candidate reservoir selection and the development of a workflow to determine the optimum injection brine properties for a given crude oil-brine-rock system.

Upscaling the Navier-Stokes Equation for Turbulent Flows in Porous Media Using a Volume Averaging Method

NASA Astrophysics Data System (ADS)

Wood, Brian; He, Xiaoliang; Apte, Sourabh

2017-11-01

Turbulent flows through porous media are encountered in a number of natural and engineered systems. Many attempts to close the Navier-Stokes equation for such type of flow have been made, for example using RANS models and double averaging. On the other hand, Whitaker (1996) applied volume averaging theorem to close the macroscopic N-S equation for low Re flow. In this work, the volume averaging theory is extended into the turbulent flow regime to posit a relationship between the macroscale velocities and the spatial velocity statistics in terms of the spatial averaged velocity only. Rather than developing a Reynolds stress model, we propose a simple algebraic closure, consistent with generalized effective viscosity models (Pope 1975), to represent the spatial fluctuating velocity and pressure respectively. The coefficients (one 1st order, two 2nd order and one 3rd order tensor) of the linear functions depend on averaged velocity and gradient. With the data set from DNS, performed with inertial and turbulent flows (pore Re of 300, 500 and 1000) through a periodic face centered cubic (FCC) unit cell, all the unknown coefficients can be computed and the closure is complete. The macroscopic quantity calculated from the averaging is then compared with DNS data to verify the upscaling. NSF Project Numbers 1336983, 1133363.

Nonlinear Micromorphic Continuum Mechanics and Finite Strain Elastoplasticity

DTIC Science & Technology

2010-11-01

phenomenology at the micro and macroscales. More micromechanical analysis and experimental data are necessary to determine the microplasticity ...129) ᾱ∇χ L̄ = H̄∇χZ̄χ ,L̄ (130) where ˙̄γ∇χ is the microplastic gradient multiplier. 40 Remark 3. The main advantage to defining constitutively the...for macro and microplasticity (F̄ χ and Ḡχ with similar functional form as F̄ and Ḡ), but this is only for the example model presented here. It is

A Novel Macroscale Acoustic Device for Blood Filtration.

PubMed

Dutra, Brian; Carmen Mora, Maria; Gerhardson, Tyler I; Sporbert, Brianna; Dufresne, Alexandre; Bittner, Katharine R; Lovewell, Carolanne; Rust, Michael J; Tirabassi, Michael V; Masi, Louis; Lipkens, Bart; Kennedy, Daniel R

2018-03-01

Retransfusion of a patient's own shed blood during cardiac surgery is attractive since it reduces the need for allogeneic transfusion, minimizes cost, and decreases transfusion related morbidity. Evidence suggests that lipid micro-emboli associated with the retransfusion of the shed blood are the predominant causes of the neurocognitive disorders. We have developed a novel acoustophoretic filtration system that can remove lipids from blood at clinically relevant flow rates. Unlike other acoustophoretic separation systems, this ultrasound technology works at the macroscale, and is therefore able to process larger flow rates than typical micro-electromechanical system (MEMS) scale acoustophoretic separation devices. In this work, we have first demonstrated the systematic design of the acoustic device and its optimization, followed by examining the feasibility of the device to filter lipids from the system. Then, we demonstrate the effects of the acoustic waves on the shed blood; examining hemolysis using both haptoglobin formation and lactate dehydrogenase release, as well as the potential of platelet aggregation or inflammatory cascade activation. Finally, in a porcine surgical model, we determined the potential viability of acoustic trapping as a blood filtration technology, as the animal responded to redelivered blood by increasing both systemic and mean arterial blood pressure.

Multiscale modeling of porous ceramics using movable cellular automaton method

NASA Astrophysics Data System (ADS)

Smolin, Alexey Yu.; Smolin, Igor Yu.; Smolina, Irina Yu.

2017-10-01

The paper presents a multiscale model for porous ceramics based on movable cellular automaton method, which is a particle method in novel computational mechanics of solid. The initial scale of the proposed approach corresponds to the characteristic size of the smallest pores in the ceramics. At this scale, we model uniaxial compression of several representative samples with an explicit account of pores of the same size but with the unique position in space. As a result, we get the average values of Young's modulus and strength, as well as the parameters of the Weibull distribution of these properties at the current scale level. These data allow us to describe the material behavior at the next scale level were only the larger pores are considered explicitly, while the influence of small pores is included via effective properties determined earliar. If the pore size distribution function of the material has N maxima we need to perform computations for N-1 levels in order to get the properties step by step from the lowest scale up to the macroscale. The proposed approach was applied to modeling zirconia ceramics with bimodal pore size distribution. The obtained results show correct behavior of the model sample at the macroscale.

Meshing complex macro-scale objects into self-assembling bricks

PubMed Central

Hacohen, Adar; Hanniel, Iddo; Nikulshin, Yasha; Wolfus, Shuki; Abu-Horowitz, Almogit; Bachelet, Ido

2015-01-01

Self-assembly provides an information-economical route to the fabrication of objects at virtually all scales. However, there is no known algorithm to program self-assembly in macro-scale, solid, complex 3D objects. Here such an algorithm is described, which is inspired by the molecular assembly of DNA, and based on bricks designed by tetrahedral meshing of arbitrary objects. Assembly rules are encoded by topographic cues imprinted on brick faces while attraction between bricks is provided by embedded magnets. The bricks can then be mixed in a container and agitated, leading to properly assembled objects at high yields and zero errors. The system and its assembly dynamics were characterized by video and audio analysis, enabling the precise time- and space-resolved characterization of its performance and accuracy. Improved designs inspired by our system could lead to successful implementation of self-assembly at the macro-scale, allowing rapid, on-demand fabrication of objects without the need for assembly lines. PMID:26226488

Global Energy and Water Cycle Experiment (GEWEX) and the Continental-scale International Project (GCIP)

NASA Technical Reports Server (NTRS)

Vane, Deborah

1993-01-01

A discussion of the objectives of the Global Energy and Water Cycle Experiment (GEWEX) and the Continental-scale International Project (GCIP) is presented in vugraph form. The objectives of GEWEX are as follows: determine the hydrological cycle by global measurements; model the global hydrological cycle; improve observations and data assimilation; and predict response to environmental change. The objectives of GCIP are as follows: determine the time/space variability of the hydrological cycle over a continental-scale region; develop macro-scale hydrologic models that are coupled to atmospheric models; develop information retrieval schemes; and support regional climate change impact assessment.

Advancing Tissue Engineering: A Tale of Nano-, Micro-, and Macroscale Integration.

PubMed

Leijten, Jeroen; Rouwkema, Jeroen; Zhang, Yu Shrike; Nasajpour, Amir; Dokmeci, Mehmet Remzi; Khademhosseini, Ali

2016-04-27

Tissue engineering has the potential to revolutionize the health care industry. Delivering on this promise requires the generation of efficient, controllable and predictable implants. The integration of nano- and microtechnologies into macroscale regenerative biomaterials plays an essential role in the generation of such implants, by enabling spatiotemporal control of the cellular microenvironment. Here we review the role, function and progress of a wide range of nano- and microtechnologies that are driving the advancements in the field of tissue engineering. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Efficient natural-convective heat transfer properties of carbon nanotube sheets and their roles on the thermal dissipation.

PubMed

Jiang, Shaohui; Liu, Changhong; Fan, Shoushan

2014-03-12

In this work, we report our studies related to the natural-convective heat transfer properties of carbon nanotube (CNT) sheets. We theoretically derived the formulas and experimentally measured the natural-convective heat transfer coefficients (H) via electrical heating method. The H values of the CNT sheets containing different layers (1, 2, 3, and 1000) were measured. We found that the single-layer CNT sheet had a unique ability on heat dissipation because of its great H. The H value of the single-layer CNT sheet was 69 W/(m(2) K) which was about twice of aluminum foil in the same environment. As the layers increased, the H values dropped quickly to the same with that of aluminum foil. We also discussed its roles on thermal dissipation, and the results indicated that the convection was a significant way of dissipation when the CNT sheets were applied on macroscales. These results may give us a new guideline to design devices based on the CNT sheets.

Macroscale and Nanoscale Morphology Evolution during in Situ Spray Coating of Titania Films for Perovskite Solar Cells.

PubMed

Su, Bo; Caller-Guzman, Herbert A; Körstgens, Volker; Rui, Yichuan; Yao, Yuan; Saxena, Nitin; Santoro, Gonzalo; Roth, Stephan V; Müller-Buschbaum, Peter

2017-12-20

Mesoporous titania is a cheap and widely used material for photovoltaic applications. To enable a large-scale fabrication and a controllable pore size, we combined a block copolymer-assisted sol-gel route with spray coating to fabricate titania films, in which the block copolymer polystyrene-block-poly(ethylene oxide) (PS-b-PEO) is used as a structure-directing template. Both the macroscale and nanoscale are studied. The kinetics and thermodynamics of the spray deposition processes are simulated on a macroscale, which shows a good agreement with the large-scale morphology of the spray-coated films obtained in practice. On the nanoscale, the structure evolution of the titania films is probed with in situ grazing incidence small-angle X-ray scattering (GISAXS) during the spray process. The changes of the PS domain size depend not only on micellization but also on solvent evaporation during the spray coating. Perovskite (CH 3 NH 3 PbI 3 ) solar cells (PSCs) based on sprayed titania film are fabricated, which showcases the suitability of spray-deposited titania films for PSCs.

Using Discrete Event Simulation for Programming Model Exploration at Extreme-Scale: Macroscale Components for the Structural Simulation Toolkit (SST).

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

Wilke, Jeremiah J; Kenny, Joseph P.

2015-02-01

Discrete event simulation provides a powerful mechanism for designing and testing new extreme- scale programming models for high-performance computing. Rather than debug, run, and wait for results on an actual system, design can first iterate through a simulator. This is particularly useful when test beds cannot be used, i.e. to explore hardware or scales that do not yet exist or are inaccessible. Here we detail the macroscale components of the structural simulation toolkit (SST). Instead of depending on trace replay or state machines, the simulator is architected to execute real code on real software stacks. Our particular user-space threading frameworkmore » allows massive scales to be simulated even on small clusters. The link between the discrete event core and the threading framework allows interesting performance metrics like call graphs to be collected from a simulated run. Performance analysis via simulation can thus become an important phase in extreme-scale programming model and runtime system design via the SST macroscale components.« less

From the Nano- to the Macroscale - Bridging Scales for the Moving Contact Line Problem

NASA Astrophysics Data System (ADS)

Nold, Andreas; Sibley, David; Goddard, Benjamin; Kalliadasis, Serafim; Complex Multiscale Systems Team

2016-11-01

The moving contact line problem remains an unsolved fundamental problem in fluid mechanics. At the heart of the problem is its multiscale nature: a nanoscale region close to the solid boundary where the continuum hypothesis breaks down, must be resolved before effective macroscale parameters such as contact line friction and slip can be obtained. To capture nanoscale properties very close to the contact line and to establish a link to the macroscale behaviour, we employ classical density-functional theory (DFT), in combination with extended Navier-Stokes-like equations. Using simple models for viscosity and slip at the wall, we compare our computations with the Molecular Kinetic Theory, by extracting the contact line friction, depending on the imposed temperature of the fluid. A key fluid property captured by DFT is the fluid layering at the wall-fluid interface, which has a large effect on the shearing properties of a fluid. To capture this crucial property, we propose an anisotropic model for the viscosity, which also allows us to scrutinize the effect of fluid layering on contact line friction.

Multiscale Simulation of Porous Ceramics Based on Movable Cellular Automaton Method

NASA Astrophysics Data System (ADS)

Smolin, A.; Smolin, I.; Eremina, G.; Smolina, I.

2017-10-01

The paper presents a model for simulating mechanical behaviour of multiscale porous ceramics based on movable cellular automaton method, which is a novel particle method in computational mechanics of solid. The initial scale of the proposed approach corresponds to the characteristic size of the smallest pores in the ceramics. At this scale, we model uniaxial compression of several representative samples with an explicit account of pores of the same size but with the random unique position in space. As a result, we get the average values of Young’s modulus and strength, as well as the parameters of the Weibull distribution of these properties at the current scale level. These data allow us to describe the material behaviour at the next scale level were only the larger pores are considered explicitly, while the influence of small pores is included via the effective properties determined at the previous scale level. If the pore size distribution function of the material has N maxima we need to perform computations for N - 1 levels in order to get the properties from the lowest scale up to the macroscale step by step. The proposed approach was applied to modelling zirconia ceramics with bimodal pore size distribution. The obtained results show correct behaviour of the model sample at the macroscale.

Impact of Material and Architecture Model Parameters on the Failure of Woven Ceramic Matrix Composites (CMCs) via the Multiscale Generalized Method of Cells

NASA Technical Reports Server (NTRS)

Liu, Kuang C.; Arnold, Steven M.

2011-01-01

It is well known that failure of a material is a locally driven event. In the case of ceramic matrix composites (CMCs), significant variations in the microstructure of the composite exist and their significance on both deformation and life response need to be assessed. Examples of these variations include changes in the fiber tow shape, tow shifting/nesting and voids within and between tows. In the present work, the effects of many of these architectural parameters and material scatter of woven ceramic composite properties at the macroscale (woven RUC) will be studied to assess their sensitivity. The recently developed Multiscale Generalized Method of Cells methodology is used to determine the overall deformation response, proportional elastic limit (first matrix cracking), and failure under tensile loading conditions. The macroscale responses investigated illustrate the effect of architectural and material parameters on a single RUC representing a five harness satin weave fabric. Results shows that the most critical architectural parameter is weave void shape and content with other parameters being less in severity. Variation of the matrix material properties was also studied to illustrate the influence of the material variability on the overall features of the composite stress-strain response.

Observations related to tetrahydrofuran and methane hydrates for laboratory studies of hydrate-bearing sediments

USGS Publications Warehouse

Lee, J.Y.; Yun, T.S.; Santamarina, J.C.; Ruppel, C.

2007-01-01

The interaction among water molecules, guest gas molecules, salts, and mineral particles determines the nucleation and growth behavior of gas hydrates in natural sediments. Hydrate of tetrahydrofuran (THF) has long been used for laboratory studies of gas hydrate-bearing sediments to provide close control on hydrate concentrations and to overcome the long formation history of methane hydrate from aqueous phase methane in sediments. Yet differences in the polarizability of THF (polar molecule) compared to methane (nonpolar molecule) raise questions about the suitability of THF as a proxy for methane in the study of hydrate-bearing sediments. From existing data and simple macroscale experiments, we show that despite its polar nature, THF's large molecular size results in low permittivity, prevents it from dissolving precipitated salts, and hinders the solvation of ions on dry mineral surfaces. In addition, the interfacial tension between water and THF hydrate is similar to that between water and methane hydrate. The processes that researchers choose for forming hydrate in sediments in laboratory settings (e.g., from gas, liquid, or ice) and the pore-scale distribution of the hydrate that is produced by each of these processes likely have a more pronounced effect on the measured macroscale properties of hydrate-bearing sediments than do differences between THF and methane hydrates themselves.

On the effect of polarization direction on the converse magnetoelectric response of multiferroic composite rings

NASA Astrophysics Data System (ADS)

Youssef, George; Lopez, Mario; Newacheck, Scott

2017-03-01

The application domain of composite multiferroic materials with magnetoelectric coupling has been widening on the nano-, micro- and macro-scales. Generally, a composite multiferroic material consists of two, or more, layers of a piezoelectric material and a magnetostrictive material. In turn, the proliferation of multiferroics in more applications is accompanied by a keen focus on understanding the effect of material phases, geometry, bonding interface and arrangement of phases by performing theoretical, numerical and experimental studies to fundamentally elucidate the response. In this experimental study, a focus is given to exploit the effect of the polarization direction of the piezoelectric phase on the overall converse magnetoelectric (CME) response of a composite concentric PZT/Terfenol-D structure. Specifically, radially and axially polarized PZT rings were concentrically bonded to the outer surface of two Terfenol-D rings, respectively. It was found that the maximum, near resonance, CME coefficient of the axially-poled configuration is 443 mG V-1 when tested at 34 kHz, 80 kV m-1 electric field and 784 Oe bias magnetic field. On the other hand, the near resonance CME value for the radially-poled configuration remained nearly constant at 281.9 ± 5.3 mG V-1 between bias magnetic fields of 532 Oe and 1524 Oe at AC electric field of 80 kV m-1 with a frequency of 36 kHz. Interestingly, the CME coefficient of radially-poled composite structure exhibits a saturation behavior, while the CME coefficient for axially-poled structure is distinguished by a single peak. The difference in the response is attributed to the amount strain transduction due to the polarization direction.

Hybrid Multiscale Simulation of Hydrologic and Biogeochemical Processes in the River-Groundwater Interaction Zone

NASA Astrophysics Data System (ADS)

Yang, X.; Scheibe, T. D.; Chen, X.; Hammond, G. E.; Song, X.

2015-12-01

The zone in which river water and groundwater mix plays an important role in natural ecosystems as it regulates the mixing of nutrients that control biogeochemical transformations. Subsurface heterogeneity leads to local hotspots of microbial activity that are important to system function yet difficult to resolve computationally. To address this challenge, we are testing a hybrid multiscale approach that couples models at two distinct scales, based on field research at the U. S. Department of Energy's Hanford Site. The region of interest is a 400 x 400 x 20 m macroscale domain that intersects the aquifer and the river and contains a contaminant plume. However, biogeochemical activity is high in a thin zone (mud layer, <1 m thick) immediately adjacent to the river. This microscale domain is highly heterogeneous and requires fine spatial resolution to adequately represent the effects of local mixing on reactions. It is not computationally feasible to resolve the full macroscale domain at the fine resolution needed in the mud layer, and the reaction network needed in the mud layer is much more complex than that needed in the rest of the macroscale domain. Hence, a hybrid multiscale approach is used to efficiently and accurately predict flow and reactive transport at both scales. In our simulations, models at both scales are simulated using the PFLOTRAN code. Multiple microscale simulations in dynamically defined sub-domains (fine resolution, complex reaction network) are executed and coupled with a macroscale simulation over the entire domain (coarse resolution, simpler reaction network). The objectives of the research include: 1) comparing accuracy and computing cost of the hybrid multiscale simulation with a single-scale simulation; 2) identifying hot spots of microbial activity; and 3) defining macroscopic quantities such as fluxes, residence times and effective reaction rates.

Micro and Macroscale Drivers of Nutrient Concentrations in Urban Streams in South, Central and North America.

PubMed

Loiselle, Steven A; Gasparini Fernandes Cunha, Davi; Shupe, Scott; Valiente, Elsa; Rocha, Luciana; Heasley, Eleanore; Belmont, Patricia Pérez; Baruch, Avinoam

Global metrics of land cover and land use provide a fundamental basis to examine the spatial variability of human-induced impacts on freshwater ecosystems. However, microscale processes and site specific conditions related to bank vegetation, pollution sources, adjacent land use and water uses can have important influences on ecosystem conditions, in particular in smaller tributary rivers. Compared to larger order rivers, these low-order streams and rivers are more numerous, yet often under-monitored. The present study explored the relationship of nutrient concentrations in 150 streams in 57 hydrological basins in South, Central and North America (Buenos Aires, Curitiba, São Paulo, Rio de Janeiro, Mexico City and Vancouver) with macroscale information available from global datasets and microscale data acquired by trained citizen scientists. Average sub-basin phosphate (P-PO4) concentrations were found to be well correlated with sub-basin attributes on both macro and microscales, while the relationships between sub-basin attributes and nitrate (N-NO3) concentrations were limited. A phosphate threshold for eutrophic conditions (>0.1 mg L-1 P-PO4) was exceeded in basins where microscale point source discharge points (eg. residential, industrial, urban/road) were identified in more than 86% of stream reaches monitored by citizen scientists. The presence of bankside vegetation covaried (rho = -0.53) with lower phosphate concentrations in the ecosystems studied. Macroscale information on nutrient loading allowed for a strong separation between basins with and without eutrophic conditions. Most importantly, the combination of macroscale and microscale information acquired increased our ability to explain sub-basin variability of P-PO4 concentrations. The identification of microscale point sources and bank vegetation conditions by citizen scientists provided important information that local authorities could use to improve their management of lower order river ecosystems.

Shear behavior of thermoformed woven-textile thermoplastic prepregs: An analysis combining bias-extension test and X-ray microtomography

NASA Astrophysics Data System (ADS)

Gassoumi, M.; Rolland du Roscoat, S.; Casari, P.; Dumont, P. J. J.; Orgéas, L.; Jacquemin, F.

2017-10-01

Thermoforming allows the manufacture of structural parts for the automotive and aeronautical domains using long fiber thermoplastic prepregs with short cycle times. During this operation, several sheets of molten prepregs are stacked and subjected to large macroscale strains, mainly via in-plane shear, out-of-plane consolidation or dilatation, and bending of the fibrous reinforcement. These deformation modes and the related meso and microstructure evolutions are still poorly understood. However, they can drastically alter the end-use macroscale properties of fabricated parts. To better understand these phenomena, bias extension tests were performed using specimens made of several stacked layers of glass woven fabrics and polyamide matrix. The macroscale shear behavior of these prepregs was investigated at various temperatures. A multiscale analysis of deformed samples was performed using X-ray microtomography images of the deformed specimens acquired at two different spatial resolutions. The low-resolution images were used to analyze the deformation mechanisms and the structural characteristics of prepregs at the macroscale and bundle scales. It was possible to analyze the 3D shapes of deformed samples and, in particular, the spatial variations of their thickness so as to quantify the out-of-plane dilatancy or consolidation phenomena induced by the in-plane shear of prepregs. At a lower scale, the analysis of the high-resolution images showed that these mechanisms were accompanied by the growth of pores and the deformation of fiber bundles. The orientation of the fiber bundles and its through-thickness evolution were measured along the weft and warp directions in the deformed samples, allowing the relevance of geometrical models currently used to analyze bias extension tests to be discussed. Results can be used to enhance the current rheological models for the prediction of thermoforming of thermoplastic prepregs.

Micro and Macroscale Drivers of Nutrient Concentrations in Urban Streams in South, Central and North America

PubMed Central

Loiselle, Steven A.; Gasparini Fernandes Cunha, Davi; Shupe, Scott; Valiente, Elsa; Rocha, Luciana; Heasley, Eleanore; Belmont, Patricia Pérez; Baruch, Avinoam

2016-01-01

Global metrics of land cover and land use provide a fundamental basis to examine the spatial variability of human-induced impacts on freshwater ecosystems. However, microscale processes and site specific conditions related to bank vegetation, pollution sources, adjacent land use and water uses can have important influences on ecosystem conditions, in particular in smaller tributary rivers. Compared to larger order rivers, these low-order streams and rivers are more numerous, yet often under-monitored. The present study explored the relationship of nutrient concentrations in 150 streams in 57 hydrological basins in South, Central and North America (Buenos Aires, Curitiba, São Paulo, Rio de Janeiro, Mexico City and Vancouver) with macroscale information available from global datasets and microscale data acquired by trained citizen scientists. Average sub-basin phosphate (P-PO4) concentrations were found to be well correlated with sub-basin attributes on both macro and microscales, while the relationships between sub-basin attributes and nitrate (N-NO3) concentrations were limited. A phosphate threshold for eutrophic conditions (>0.1 mg L-1 P-PO4) was exceeded in basins where microscale point source discharge points (eg. residential, industrial, urban/road) were identified in more than 86% of stream reaches monitored by citizen scientists. The presence of bankside vegetation covaried (rho = –0.53) with lower phosphate concentrations in the ecosystems studied. Macroscale information on nutrient loading allowed for a strong separation between basins with and without eutrophic conditions. Most importantly, the combination of macroscale and microscale information acquired increased our ability to explain sub-basin variability of P-PO4 concentrations. The identification of microscale point sources and bank vegetation conditions by citizen scientists provided important information that local authorities could use to improve their management of lower order river ecosystems. PMID:27662192

Modeling & processing of ceramic and polymer precursor ceramic matrix composite materials

NASA Astrophysics Data System (ADS)

Wang, Xiaolin

Synthesis and processing of novel materials with various advanced approaches have attracted much attention of engineers and scientists for the past thirty years. Many advanced materials display a number of exceptional properties and can be produced with different novel processing techniques. For example, AlN is a promising candidate for electronic, optical and opto-electronic applications due to its high thermal conductivity, high electrical resistivity, high acoustic wave velocity and large band gap. Large bulk AlN crystal can be produced by sublimation of AlN powder. Novel nonostructured multicomponent refractory metal-based ceramics (carbides, borides and nitrides) show a lot of exceptional mechanical, thermal and chemical properties, and can be easily produced by pyrolysis of suitable preceramic precursors mixed with metal particles. The objective of this work is to study sublimation and synthesis of AlN powder, and synthesis of SiC-based metal ceramics. For AlN sublimation crystal growth, we will focus on modeling the processes in the powder source that affect significantly the sublimation growth as a whole. To understand the powder porosity evolution and vapor transport during powder sublimation, the interplay between vapor transport and powder sublimation will be studied. A physics-based computational model will be developed considering powder sublimation and porosity evolution. Based on the proposed model, the effect of a central hole in the powder on the sublimation rate is studied and the result is compared to the case of powder without a hole. The effect of hole size on the sublimation rate will be studied. The effects of initial porosity, particle size and driving force on the sublimation rate are also studied. Moreover, the optimal growth condition for large diameter crystal quality and high growth rate will be determined. For synthesis of SiC-based metal ceramics, we will focus on developing a multi-scale process model to describe the dynamic behavior of filler particle reaction, microstructure evolution, at the microscale as well as transient fluid flow, heat transfer, and species transport at the macroscale. The model comprises of (i) a microscale model and (ii) a macroscale transport model, and aims to provide optimal conditions for the fabrication process of the ceramics. The porous media macroscale model for SiC-based metal-ceramic materials processing will be developed to understand the thermal polymer pyrolysis, chemical reaction of active fillers and transport phenomena in the porous media. The macroscale model will include heat and mass transfer, curing, pyrolysis, chemical reaction and crystallization in a mixture of preceramic polymers and submicron/nano-sized metal particles of uranium, zirconium, niobium, or hafnium. The effects of heating rate, sample size, size and volume ratio of the metal particles on the reaction rate and product uniformity will be studied. The microscale model will be developed for modeling the synthesis of SiC matrix and metal particles. The macroscale model provides thermal boundary conditions to the microscale model. The microscale model applies to repetitive units in the porous structure and describes mass transport, composition changes and motion of metal particles. The unit-cell is the representation unit of the source material, and it consists of several metal particles, SiC matrix and other components produced from the synthesis process. The reactions between different components, the microstructure evolution of the product will be considered. The effects of heating rate and metal particle size on species uniformity and microstructure are investigated.

A systematic multiscale modeling and experimental approach to protect grain boundaries in magnesium alloys from corrosion

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

Horstemeyer, Mark R.; Chaudhuri, Santanu

2015-09-30

A multiscale modeling Internal State Variable (ISV) constitutive model was developed that captures the fundamental structure-property relationships. The macroscale ISV model used lower length scale simulations (Butler-Volmer and Electronics Structures results) in order to inform the ISVs at the macroscale. The chemomechanical ISV model was calibrated and validated from experiments with magnesium (Mg) alloys that were investigated under corrosive environments coupled with experimental electrochemical studies. Because the ISV chemomechanical model is physically based, it can be used for other material systems to predict corrosion behavior. As such, others can use the chemomechanical model for analyzing corrosion effects on their designs.

Role of pseudo-turbulent stresses in shocked particle clouds and construction of surrogate models for closure

NASA Astrophysics Data System (ADS)

Sen, O.; Gaul, N. J.; Davis, S.; Choi, K. K.; Jacobs, G.; Udaykumar, H. S.

2018-05-01

Macroscale models of shock-particle interactions require closure terms for unresolved solid-fluid momentum and energy transfer. These comprise the effects of mean as well as fluctuating fluid-phase velocity fields in the particle cloud. Mean drag and Reynolds stress equivalent terms (also known as pseudo-turbulent terms) appear in the macroscale equations. Closure laws for the pseudo-turbulent terms are constructed in this work from ensembles of high-fidelity mesoscale simulations. The computations are performed over a wide range of Mach numbers ( M) and particle volume fractions (φ ) and are used to explicitly compute the pseudo-turbulent stresses from the Favre average of the velocity fluctuations in the flow field. The computed stresses are then used as inputs to a Modified Bayesian Kriging method to generate surrogate models. The surrogates can be used as closure models for the pseudo-turbulent terms in macroscale computations of shock-particle interactions. It is found that the kinetic energy associated with the velocity fluctuations is comparable to that of the mean flow—especially for increasing M and φ . This work is a first attempt to quantify and evaluate the effect of velocity fluctuations for problems of shock-particle interactions.

Role of pseudo-turbulent stresses in shocked particle clouds and construction of surrogate models for closure

NASA Astrophysics Data System (ADS)

Sen, O.; Gaul, N. J.; Davis, S.; Choi, K. K.; Jacobs, G.; Udaykumar, H. S.

2018-02-01

Macroscale models of shock-particle interactions require closure terms for unresolved solid-fluid momentum and energy transfer. These comprise the effects of mean as well as fluctuating fluid-phase velocity fields in the particle cloud. Mean drag and Reynolds stress equivalent terms (also known as pseudo-turbulent terms) appear in the macroscale equations. Closure laws for the pseudo-turbulent terms are constructed in this work from ensembles of high-fidelity mesoscale simulations. The computations are performed over a wide range of Mach numbers (M) and particle volume fractions (φ ) and are used to explicitly compute the pseudo-turbulent stresses from the Favre average of the velocity fluctuations in the flow field. The computed stresses are then used as inputs to a Modified Bayesian Kriging method to generate surrogate models. The surrogates can be used as closure models for the pseudo-turbulent terms in macroscale computations of shock-particle interactions. It is found that the kinetic energy associated with the velocity fluctuations is comparable to that of the mean flow—especially for increasing M and φ . This work is a first attempt to quantify and evaluate the effect of velocity fluctuations for problems of shock-particle interactions.

Macroscale porous carbonized polydopamine-modified cotton textile for application as electrode in microbial fuel cells

NASA Astrophysics Data System (ADS)

Zeng, Lizhen; Zhao, Shaofei; He, Miao

2018-02-01

The anode material is a crucial factor that significantly affects the cost and performance of microbial fuel cells (MFCs). In this study, a novel macroscale porous, biocompatible, highly conductive and low cost electrode, carbonized polydopamine-modified cotton textile (NC@CCT), is fabricated by using normal cheap waste cotton textiles as raw material via a simple in situ polymerization and carbonization treatment as anode of MFCs. The physical and chemical characterizations show that the macroscale porous and biocompatible NC@CCT electrode is coated by nitrogen-doped carbon nanoparticles and offers a large specific surface area (888.67 m2 g-1) for bacterial cells growth, accordingly greatly increases the loading amount of bacterial cells and facilitates extracellular electron transfer (EET). As a result, the MFC equipped with the NC@CCT anode achieves a maximum power density of 931 ± 61 mW m-2, which is 80.5% higher than that of commercial carbon felt (516 ± 27 mW m-2) anode. Moreover, making full use of the normal cheap waste cotton textiles can greatly reduce the cost of MFCs and the environmental pollution problem.

Isolation of aramid nanofibers for high strength multiscale fiber reinforced composites

NASA Astrophysics Data System (ADS)

Lin, Jiajun; Patterson, Brendan A.; Malakooti, Mohammad H.; Sodano, Henry A.

2018-03-01

Aramid fibers are famous for their high specific strength and energy absorption properties and have been intensively used for soft body armor and ballistic protection. However, the use of aramid fiber reinforced composites is barely observed in structural applications. Aramid fibers have smooth and inert surfaces that are unable to form robust adhesion to polymeric matrices due to their high crystallinity. Here, a novel method to effectively integrate aramid fibers into composites is developed through utilization of aramid nanofibers. Aramid nanofibers are prepared from macroscale aramid fibers (such as Kevlar®) and isolated through a simple and scalable dissolution method. Prepared aramid nanofibers are dispersible in many polymers due to their improved surface reactivity, meanwhile preserve the conjugated structure and likely the strength of their macroscale counterparts. Simultaneously improved elastic modulus, strength and fracture toughness are observed in aramid nanofiber reinforced epoxy nanocomposites. When integrated in continuous fiber reinforced composites, aramid nanofibers can also enhance interfacial properties by forming hydrogen bonds and π-π coordination to bridge matrix and macroscale fibers. Such multiscale reinforcement by aramid nanofibers and continuous fibers results in strong polymeric composites with robust mechanical properties that are necessary and long desired for structural applications.

Mass production of polymer nano-wires filled with metal nano-particles.

PubMed

Lomadze, Nino; Kopyshev, Alexey; Bargheer, Matias; Wollgarten, Markus; Santer, Svetlana

2017-08-17

Despite the ongoing progress in nanotechnology and its applications, the development of strategies for connecting nano-scale systems to micro- or macroscale elements is hampered by the lack of structural components that have both, nano- and macroscale dimensions. The production of nano-scale wires with macroscale length is one of the most interesting challenges here. There are a lot of strategies to fabricate long nanoscopic stripes made of metals, polymers or ceramics but none is suitable for mass production of ordered and dense arrangements of wires at large numbers. In this paper, we report on a technique for producing arrays of ordered, flexible and free-standing polymer nano-wires filled with different types of nano-particles. The process utilizes the strong response of photosensitive polymer brushes to irradiation with UV-interference patterns, resulting in a substantial mass redistribution of the polymer material along with local rupturing of polymer chains. The chains can wind up in wires of nano-scale thickness and a length of up to several centimeters. When dispersing nano-particles within the film, the final arrangement is similar to a core-shell geometry with mainly nano-particles found in the core region and the polymer forming a dielectric jacket.

The gating effect by thousands of bubble-propelled micromotors in macroscale channels

NASA Astrophysics Data System (ADS)

Teo, Wei Zhe; Wang, Hong; Pumera, Martin

2015-07-01

Increasing interest in the utilization of self-propelled micro-/nanomotors for environmental remediation requires the examination of their efficiency at the macroscale level. As such, we investigated the effect of micro-/nanomotors' propulsion and bubbling on the rate of sodium hydroxide dissolution and the subsequent dispersion of OH- ions across more than 30 cm, so as to understand how these factors might affect the dispersion of remediation agents in real systems which might require these agents to travel long distances to reach the pollutants. Experimental results showed that the presence of large numbers of active bubble-propelled tubular bimetallic Cu/Pt micromotors (4.5 × 104) induced a gating effect on the dissolution and dispersion process, slowing down the change in pH of the solution considerably. The retardation was found to be dependent on the number of active micromotors present in the range of 1.5 × 104 to 4.5 × 104 micromotors. At lower numbers (0.75 × 104), however, propelling micromotors did speed up the dissolution and dispersion process. The understanding of the combined effects of large number of micro-/nanomotors' motion and bubbling on its macroscale mixing behavior is of significant importance for future applications of these devices.

Electrochemical removal of tannins from aqueous solutions

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

Buso, A.; Balbo, L.; Giomo, M.

2000-02-01

The application of electrochemical methods to remove tannins from wastewater was investigated. Gallotannic acid was used as the reference substance. Electrochemical experiments were performed using platinum electrodes. Macroscale potentiostatic or galvanostatic electrolyses were carried out with sodium sulfate or sodium chloride as supporting electrolytes, to analyze direct and indirect oxidation processes. Operating variables such as pH and chloride concentration were considered to determine their influence on the efficiency and energy consumption of the process. The simulation of a pilot plant was carried out with a mathematical model, the parameters of which were determined by fitting of experimental profiles. The resultsmore » of a preliminary investigation on the oxidation-coagulation process using sacrificial electrodes are also reported.« less

Incorporating pushing in exclusion-process models of cell migration.

PubMed

Yates, Christian A; Parker, Andrew; Baker, Ruth E

2015-05-01

The macroscale movement behavior of a wide range of isolated migrating cells has been well characterized experimentally. Recently, attention has turned to understanding the behavior of cells in crowded environments. In such scenarios it is possible for cells to interact, inducing neighboring cells to move in order to make room for their own movements or progeny. Although the behavior of interacting cells has been modeled extensively through volume-exclusion processes, few models, thus far, have explicitly accounted for the ability of cells to actively displace each other in order to create space for themselves. In this work we consider both on- and off-lattice volume-exclusion position-jump processes in which cells are explicitly allowed to induce movements in their near neighbors in order to create space for themselves to move or proliferate into. We refer to this behavior as pushing. From these simple individual-level representations we derive continuum partial differential equations for the average occupancy of the domain. We find that, for limited amounts of pushing, comparison between the averaged individual-level simulations and the population-level model is nearly as good as in the scenario without pushing. Interestingly, we find that, in the on-lattice case, the diffusion coefficient of the population-level model is increased by pushing, whereas, for the particular off-lattice model that we investigate, the diffusion coefficient is reduced. We conclude, therefore, that it is important to consider carefully the appropriate individual-level model to use when representing complex cell-cell interactions such as pushing.

Empirical Model of Precipitating Ion Oval

NASA Astrophysics Data System (ADS)

Goldstein, Jerry

2017-10-01

In this brief technical report published maps of ion integral flux are used to constrain an empirical model of the precipitating ion oval. The ion oval is modeled as a Gaussian function of ionospheric latitude that depends on local time and the Kp geomagnetic index. The three parameters defining this function are the centroid latitude, width, and amplitude. The local time dependences of these three parameters are approximated by Fourier series expansions whose coefficients are constrained by the published ion maps. The Kp dependence of each coefficient is modeled by a linear fit. Optimization of the number of terms in the expansion is achieved via minimization of the global standard deviation between the model and the published ion map at each Kp. The empirical model is valid near the peak flux of the auroral oval; inside its centroid region the model reproduces the published ion maps with standard deviations of less than 5% of the peak integral flux. On the subglobal scale, average local errors (measured as a fraction of the point-to-point integral flux) are below 30% in the centroid region. Outside its centroid region the model deviates significantly from the H89 integral flux maps. The model's performance is assessed by comparing it with both local and global data from a 17 April 2002 substorm event. The model can reproduce important features of the macroscale auroral region but none of its subglobal structure, and not immediately following a substorm.

Pedestrian simulation and distribution in urban space based on visibility analysis and agent simulation

NASA Astrophysics Data System (ADS)

Ying, Shen; Li, Lin; Gao, Yurong

2009-10-01

Spatial visibility analysis is the important direction of pedestrian behaviors because our visual conception in space is the straight method to get environment information and navigate your actions. Based on the agent modeling and up-tobottom method, the paper develop the framework about the analysis of the pedestrian flow depended on visibility. We use viewshed in visibility analysis and impose the parameters on agent simulation to direct their motion in urban space. We analyze the pedestrian behaviors in micro-scale and macro-scale of urban open space. The individual agent use visual affordance to determine his direction of motion in micro-scale urban street on district. And we compare the distribution of pedestrian flow with configuration in macro-scale urban environment, and mine the relationship between the pedestrian flow and distribution of urban facilities and urban function. The paper first computes the visibility situations at the vantage point in urban open space, such as street network, quantify the visibility parameters. The multiple agents use visibility parameters to decide their direction of motion, and finally pedestrian flow reach to a stable state in urban environment through the simulation of multiple agent system. The paper compare the morphology of visibility parameters and pedestrian distribution with urban function and facilities layout to confirm the consistence between them, which can be used to make decision support in urban design.

Nucleation, aggregative growth and detachment of metal nanoparticles during electrodeposition at electrode surfaces.

PubMed

Lai, Stanley C S; Lazenby, Robert A; Kirkman, Paul M; Unwin, Patrick R

2015-02-01

The nucleation and growth of metal nanoparticles (NPs) on surfaces is of considerable interest with regard to creating functional interfaces with myriad applications. Yet, key features of these processes remain elusive and are undergoing revision. Here, the mechanism of the electrodeposition of silver on basal plane highly oriented pyrolytic graphite (HOPG) is investigated as a model system at a wide range of length scales, spanning electrochemical measurements from the macroscale to the nanoscale using scanning electrochemical cell microscopy (SECCM), a pipette-based approach. The macroscale measurements show that the nucleation process cannot be modelled as either truly instantaneous or progressive, and that step edge sites of HOPG do not play a dominant role in nucleation events compared to the HOPG basal plane, as has been widely proposed. Moreover, nucleation numbers extracted from electrochemical analysis do not match those determined by atomic force microscopy (AFM). The high time and spatial resolution of the nanoscale pipette set-up reveals individual nucleation and growth events at the graphite basal surface that are resolved and analysed in detail. Based on these results, corroborated with complementary microscopy measurements, we propose that a nucleation-aggregative growth-detachment mechanism is an important feature of the electrodeposition of silver NPs on HOPG. These findings have major implications for NP electrodeposition and for understanding electrochemical processes at graphitic materials generally.

Wear of sharp aggregates in a rotating drum

NASA Astrophysics Data System (ADS)

Deiros Quintanilla, Ivan; Combe, Gaël; Emeriault, Fabrice; Toni, Jean-Benoît; Voivret, Charles; Ferellec, Jean François

2017-06-01

Aggregates constituting ballast layer wear due to the continuous passage of trains and during the necessary maintenance operations of the track. In order to develop efficient solutions for ballasted tracks design and maintenance, a proper knowledge of the degradation laws of ballast grains is needed. In tribology, the amount of wear due to friction when two surfaces are in contact is classically predicted by Archard's equation. However, due to the continuous evolution of grain angularity and roughness, at the macro-scale wear coefficient cannot be assumed to remain constant, but will depend on the state of degradation of the grain surface. In order to adjust the model to this particular case, the Micro-Deval Attrition test is used. The rotating drum is stopped at intermediate stages and the amount of generated fine particles is measured. Thus the curve of mass loss along time is built. These results are then linked to Archard's model using the values of contact forces and relative displacements extracted from discrete element simulations. Finally, a morphology analysis is performed tracking shape and roughness parameters at different stages of degradation using X-ray tomography and a laser profilometer.

A Cross-Course Investigation of Integrative Cases for Evolution Education.

PubMed

White, Peter John Thomas; Heidemann, Merle K; Smith, James J

2015-12-01

Evolution is a cornerstone theory in biology, yet many undergraduate students have difficulty understanding it. One reason for this is that evolution is often taught in a macro-scale context without explicit links to micro-scale processes. To address this, we developed a series of integrative evolution cases that present the evolution of various traits from their origin in genetic mutation, to the synthesis of modified proteins, to how these proteins produce novel phenotypes, to the related macro-scale impacts that the novel phenotypes have on populations in ecological communities. We postulated that students would develop a fuller understanding of evolution when learning biology in a context where these integrative evolution cases are used. We used a previously developed assessment tool, the ATEEK (Assessment Tool for Evaluating Evolution Knowledge), within a pre-course/post-course assessment framework. Students who learned biology in courses using the integrative cases performed significantly better on the evolution assessment than did students in courses that did not use the cases. We also found that student understanding of evolution increased with increased exposure to the integrative evolution cases. These findings support the general hypothesis that students acquire a more complete understanding of evolution when they learn about its genetic and molecular mechanisms along with macro-scale explanations.

A Cross-Course Investigation of Integrative Cases for Evolution Education †

PubMed Central

White, Peter John Thomas; Heidemann, Merle K.; Smith, James J.

2015-01-01

Evolution is a cornerstone theory in biology, yet many undergraduate students have difficulty understanding it. One reason for this is that evolution is often taught in a macro-scale context without explicit links to micro-scale processes. To address this, we developed a series of integrative evolution cases that present the evolution of various traits from their origin in genetic mutation, to the synthesis of modified proteins, to how these proteins produce novel phenotypes, to the related macro-scale impacts that the novel phenotypes have on populations in ecological communities. We postulated that students would develop a fuller understanding of evolution when learning biology in a context where these integrative evolution cases are used. We used a previously developed assessment tool, the ATEEK (Assessment Tool for Evaluating Evolution Knowledge), within a pre-course/post-course assessment framework. Students who learned biology in courses using the integrative cases performed significantly better on the evolution assessment than did students in courses that did not use the cases. We also found that student understanding of evolution increased with increased exposure to the integrative evolution cases. These findings support the general hypothesis that students acquire a more complete understanding of evolution when they learn about its genetic and molecular mechanisms along with macro-scale explanations. PMID:26753023

Spatial distribution of diesel transit bus emissions and urban populations: implications of coincidence and scale on exposure.

PubMed

Gouge, Brian; Ries, Francis J; Dowlatabadi, Hadi

2010-09-15

Macroscale emissions modeling approaches have been widely applied in impact assessments of mobile source emissions. However, these approaches poorly characterize the spatial distribution of emissions and have been shown to underestimate emissions of some pollutants. To quantify the implications of these limitations on exposure assessments, CO, NO(X), and HC emissions from diesel transit buses were estimated at 50 m intervals along a bus rapid transit route using a microscale emissions modeling approach. The impacted population around the route was estimated using census, pedestrian count and transit ridership data. Emissions exhibited significant spatial variability. In intervals near major intersections and bus stops, emissions were 1.6-3.0 times higher than average. The coincidence of these emission hot spots and peaks in pedestrian populations resulted in a 20-40% increase in exposure compared to estimates that assumed homogeneous spatial distributions of emissions and/or populations along the route. An additional 19-30% increase in exposure resulted from the underestimate of CO and NO(X) emissions by macroscale modeling approaches. The results of this study indicate that macroscale modeling approaches underestimate exposure due to poor characterization of the influence of vehicle activity on the spatial distribution of emissions and total emissions.

Determination of the Earth's Plasmapause Location from the CE-3 EUVC Images

NASA Technical Reports Server (NTRS)

He, Fei; Zhang, Xiao-Xin; Chen, Bo; Fok, Mei-Ching; Nakano, Shinya

2016-01-01

The Moon-based Extreme Ultraviolet Camera (EUVC) aboard China's Chang'e-3 (CE-3) mission has successfully imaged the entire Earth's plasmasphere for the first time from the side views on lunar surface. An EUVC image on 21 April 2014 is used in this study to demonstrate the characteristics and configurations of the Moon-based EUV imaging and to illustrate the determination algorithm of the plasmapause locations on the magnetic equator. The plasmapause locations determined from all the available EUVC images with the Minimum L Algorithm are quantitatively compared with those extracted from insitu observations (Defense Meteorological Satellite Program, Time History of Events and Macroscale Interactions during Substorms, and Radiation Belt Storm Probes). Excellent agreement between the determined plasmapauses seen by EUVC and the extracted ones from other satellites indicates the reliability of the Moon-based EUVC images as well as the determination algorithm. This preliminary study provides an important basis for future investigation of the dynamics of the plasmasphere with the Moon-based EUVC imaging.

Distribution of oxygen in silicon and its effects on electronic characteristics on a microscale

NASA Technical Reports Server (NTRS)

Gatos, H. C.; Rava, P.; Lagowski, J. J.

1980-01-01

The microdistribution of oxygen in silicon was obtained by scanning IR absorption in as grown Czochralski crystals. The crystals were subsequently submitted to various heat treatments. The profiles of the generated thermal donors were determined by spreading resistance measurements. Contrary to the prevailing views, it was found that the concentration of the activated thermal donors is not strictly a function of the oxygen concentration, but depends strongly on an additional factor, which was shown to be associated with vacancy concentration. These conclusions could only be reached on the basis of microscale characterization. In fact, commonly employed macroscale analysis has led to erroneous conclusions.

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

Bakach, G. P.; Dudarev, E. F., E-mail: dudarev@spti.tsu.ru; Skosyrskii, A. B.

The results are presented of an experimental investigation into the regularities and mechanisms of the development of thermoelastic martensitic transformation in submicrocrystalline alloy Ti{sub 49.4}Ni{sub 50.6} with different ways of thermo-power actions using the methods of optical microscopy in situ and X-ray diffraction. The peculiarities of localization of martensite transformation at the meso- and macroscale levels in this alloy with submicrocrystalline structure are considered. Experimental data on the relay mechanism of propagation of the martensitic transformation are presented. The interrelation between the localization of the martensitic transformation on the meso-and macroscale levels and deformation behavior under isothermal loading alloy Ti{submore » 49.4}Ni5{sub 0.6} in submicrocrystalline condition are shown and discussed.« less

Optical, electrical and elastic properties of ferroelectric domain walls in lithium niobate and lithium titanate

NASA Astrophysics Data System (ADS)

Kim, Sungwon

Ferroelectric LiNbO3 and LiTaO3 crystals have developed, over the last 50 years as key materials for integrated and nonlinear optics due to their large electro-optic and nonlinear optical coefficients and a broad transparency range from 0.4 mum-4.5 mum wavelengths. Applications include high speed optical modulation and switching in 40GHz range, second harmonic generation, optical parametric amplification, pulse compression and so on. Ferroelectric domain microengineering has led to electro-optic scanners, dynamic focusing lenses, total internal reflection switches, and quasi-phase matched (QPM) frequency doublers. Most of these applications have so far been on non-stoichiometric compositions of these crystals. Recent breakthroughs in crystal growth have however opened up an entirely new window of opportunity from both scientific and technological viewpoint. The growth of stoichiometric composition crystals has led to the discovery of many fascinating effects arising from the presence or absence of atomic defects, such as an order of magnitude changes in coercive fields, internal fields, domain backswitching and stabilization phenomenon. On the nanoscale, unexpected features such as the presence of wide regions of optical contrast and strain have been discovered at 180° domain walls. Such strong influence of small amounts of nonstoichiometric defects on material properties has led to new device applications, particularly those involving domain patterning and shaping such as QPM devices in thick bulk crystals and improved photorefractive damage compositions. The central focus of this dissertation is to explore the role of nonstoichiometry and its precise influence on macroscale and nanoscale properties in lithium niobate and tantalate. Macroscale properties are studied using a combination of in-situ and high-speed electro-optic imaging microscopy and electrical switching experiments. Local static and dynamic strain properties at individual domain walls is studied using X-ray synchrotron imaging with and without in-situ electric fields. Nanoscale optical properties are studied using Near Field Scanning Optical Microscopy(NSOM). Finite Difference Time Domain(FDTD) codes, Beam Propagation Method(BPM) codes and X-ray tracing codes have been developed to successfully simulate NSOM images and X-ray topography images to extract the local optical and strain properties, respectively. A 3-D ferroelectric domain simulation code based on Time Dependent Ginzburg Landau(TDGL) theory and group theory has been developed to understand the nature of these local wall strains and the preferred wall orientations. By combining these experimental and numerical tools, We have also proposed a defect-dipole model and a mechanism by which the defect interacts with the domain walls. This thesis has thus built a more comprehensive picture of the influence of defects on domain walls on nanoscale and macroscale, and raises new scientific questions about the exact nature of domain walls-defect interactions. Besides the specific problem of ferroelectrics, the experimental and simulation tools, developed in this thesis will have wider application in the area of materials science.

Spectral analysis of the stick-slip phenomenon in "oral" tribological texture evaluation.

PubMed

Sanahuja, Solange; Upadhyay, Rutuja; Briesen, Heiko; Chen, Jianshe

2017-08-01

"Oral" tribology has become a new paradigm in food texture studies to understand complex texture attributes, such as creaminess, oiliness, and astringency, which could not be successfully characterized by traditional texture analysis nor by rheology. Stick-slip effects resulting from intermittent sliding motion during kinetic friction of oral mucosa could constitute an additional determining factor of sensory perception where traditional friction coefficient values and their Stribeck regimes fail in predicting different lubricant (food bolus and saliva) behaviors. It was hypothesized that the observed jagged behavior of most sliding force curves are due to stick-slip effects and depend on test velocity, normal load, surface roughness as well as lubricant type. Therefore, different measurement set-ups were investigated: sliding velocities from 0.01 to 40 mm/s, loads of 0.5 and 2.5 N as well as a smooth and a textured silicone contact surface. Moreover, dry contact measurements were compared to model food systems, such as water, oil, and oil-in-water emulsions. Spectral analysis permitted to extract the distribution of stick-slip magnitudes for specific wave numbers, characterizing the occurrence of jagged force peaks per unit sliding distance, similar to frequencies per unit time. The spectral features were affected by all the above mentioned tested factors. Stick-slip created vibration frequencies in the range of those detected by oral mechanoreceptors (0.3-400 Hz). The study thus provides a new insight into the use of tribology in food psychophysics. Dynamic spectral analysis has been applied for the first time to the force-displacement curves in "oral" tribology. Analyzing the stick-slip phenomenon in the dynamic friction provides new information that is generally overlooked or confused with machine noise and which may help to understand friction-related sensory attributes. This approach allows us to differentiate samples that have similar friction coefficient, but are perceived differently in the mouth. The next step of our research will be to combine spectral attributes, such as the magnitudes of specific wave number bands and possibly their evolution during sliding, together with friction coefficient and viscosity values of foods with sensory results. The highest potential lies in predicting smoothness in opposition to roughness of a surface, such as a rough tongue when eating astringent or dry foods, or of particles when eating grainy foods. The effects of food ingredients at the nano to macroscales can then be used to optimize a specific lubrication behavior. © 2017 Wiley Periodicals, Inc.

The use of a quartz crystal microbalance as an analytical tool to monitor particle/surface and particle/particle interactions under dry ambient and pressurized conditions: a study using common inhaler components.

PubMed

Turner, N W; Bloxham, M; Piletsky, S A; Whitcombe, M J; Chianella, I

2016-12-19

Metered dose inhalers (MDI) and multidose powder inhalers (MPDI) are commonly used for the treatment of chronic obstructive pulmonary diseases and asthma. Currently, analytical tools to monitor particle/particle and particle/surface interaction within MDI and MPDI at the macro-scale do not exist. A simple tool capable of measuring such interactions would ultimately enable quality control of MDI and MDPI, producing remarkable benefits for the pharmaceutical industry and the users of inhalers. In this paper, we have investigated whether a quartz crystal microbalance (QCM) could become such a tool. A QCM was used to measure particle/particle and particle/surface interactions on the macroscale, by additions of small amounts of MDPI components, in the powder form into a gas stream. The subsequent interactions with materials on the surface of the QCM sensor were analyzed. Following this, the sensor was used to measure fluticasone propionate, a typical MDI active ingredient, in a pressurized gas system to assess its interactions with different surfaces under conditions mimicking the manufacturing process. In both types of experiments the QCM was capable of discriminating interactions of different components and surfaces. The results have demonstrated that the QCM is a suitable platform for monitoring macro-scale interactions and could possibly become a tool for quality control of inhalers.

Integrated detection of fractures and caves in carbonate fractured-vuggy reservoirs based on seismic data and well data

NASA Astrophysics Data System (ADS)

Cao, Zhanning; Li, Xiangyang; Sun, Shaohan; Liu, Qun; Deng, Guangxiao

2018-04-01

Aiming at the prediction of carbonate fractured-vuggy reservoirs, we put forward an integrated approach based on seismic and well data. We divide a carbonate fracture-cave system into four scales for study: micro-scale fracture, meso-scale fracture, macro-scale fracture and cave. Firstly, we analyze anisotropic attributes of prestack azimuth gathers based on multi-scale rock physics forward modeling. We select the frequency attenuation gradient attribute to calculate azimuth anisotropy intensity, and we constrain the result with Formation MicroScanner image data and trial production data to predict the distribution of both micro-scale and meso-scale fracture sets. Then, poststack seismic attributes, variance, curvature and ant algorithms are used to predict the distribution of macro-scale fractures. We also constrain the results with trial production data for accuracy. Next, the distribution of caves is predicted by the amplitude corresponding to the instantaneous peak frequency of the seismic imaging data. Finally, the meso-scale fracture sets, macro-scale fractures and caves are combined to obtain an integrated result. This integrated approach is applied to a real field in Tarim Basin in western China for the prediction of fracture-cave reservoirs. The results indicate that this approach can well explain the spatial distribution of carbonate reservoirs. It can solve the problem of non-uniqueness and improve fracture prediction accuracy.

Multi-RCM ensemble downscaling of global seasonal forecasts (MRED)

NASA Astrophysics Data System (ADS)

Arritt, R. W.

2008-12-01

The Multi-RCM Ensemble Downscaling (MRED) project was recently initiated to address the question, Can regional climate models provide additional useful information from global seasonal forecasts? MRED will use a suite of regional climate models to downscale seasonal forecasts produced by the new National Centers for Environmental Prediction (NCEP) Climate Forecast System (CFS) seasonal forecast system and the NASA GEOS5 system. The initial focus will be on wintertime forecasts in order to evaluate topographic forcing, snowmelt, and the potential usefulness of higher resolution, especially for near-surface fields influenced by high resolution orography. Each regional model will cover the conterminous US (CONUS) at approximately 32 km resolution, and will perform an ensemble of 15 runs for each year 1982-2003 for the forecast period 1 December - 30 April. MRED will compare individual regional and global forecasts as well as ensemble mean precipitation and temperature forecasts, which are currently being used to drive macroscale land surface models (LSMs), as well as wind, humidity, radiation, turbulent heat fluxes, which are important for more advanced coupled macro-scale hydrologic models. Metrics of ensemble spread will also be evaluated. Extensive analysis will be performed to link improvements in downscaled forecast skill to regional forcings and physical mechanisms. Our overarching goal is to determine what additional skill can be provided by a community ensemble of high resolution regional models, which we believe will eventually define a strategy for more skillful and useful regional seasonal climate forecasts.

The double burden of neoliberalism? Noncommunicable disease policies and the global political economy of risk.

PubMed

Glasgow, Sara; Schrecker, Ted

2016-05-01

The growing prevalence of NCDs in low- and middle-income countries (LMICs) is now recognized as one of the major global health policy issues of the early 21st century. Current official approaches reflect ambivalence about how health policy should approach the social determinants of health identified by the WHO Commission on the topic that released its report in 2008, and in particular the role of macro-scale economic and social processes. Authoritative framing of options for NCD prevention in advance of the September, 2011 UN high-level meeting on NCDs arguably relied on a selective reading of the scientific (including social scientific) evidence, and foregrounded a limited number of risk factors defined in terms of individual behavior: tobacco use, unhealthy diet, alcohol (ab)use and physical inactivity. The effect was to reproduce at a transnational level the individualization of responsibility for health that characterizes most health promotion initiatives in high-income countries, ignoring both the limited control that many people have over their exposure to these risk factors and the contribution of macro-scale processes like trade liberalization and the marketing activities of transnational corporations to the global burden of NCDs. An alternative perspective focuses on "the inequitable distribution of power, money, and resources" described by the WHO Commission, and the ways in which policies that address those inequities can avoid unintentional incorporation of neoliberal constructions of risk and responsibility. Copyright © 2016. Published by Elsevier Ltd.

The double burden of neoliberalism? Noncommunicable disease policies and the global political economy of risk.

PubMed

Glasgow, Sara; Schrecker, Ted

2015-07-01

The growing prevalence of NCDs in low- and middle-income countries (LMICs) is now recognized as one of the major global health policy issues of the early 21st century. Current official approaches reflect ambivalence about how health policy should approach the social determinants of health identified by the WHO Commission on the topic that released its report in 2008, and in particular the role of macro-scale economic and social processes. Authoritative framing of options for NCD prevention in advance of the September, 2011 UN high-level meeting on NCDs arguably relied on a selective reading of the scientific (including social scientific) evidence, and foregrounded a limited number of risk factors defined in terms of individual behavior: tobacco use, unhealthy diet, alcohol (ab)use and physical inactivity. The effect was to reproduce at a transnational level the individualization of responsibility for health that characterizes most health promotion initiatives in high-income countries, ignoring both the limited control that many people have over their exposure to these risk factors and the contribution of macro-scale processes like trade liberalization and the marketing activities of transnational corporations to the global burden of NCDs. An alternative perspective focuses on "the inequitable distribution of power, money, and resources" described by the WHO Commission, and the ways in which policies that address those inequities can avoid unintentional incorporation of neoliberal constructions of risk and responsibility. Copyright © 2015 Elsevier Ltd. All rights reserved.

Modeling Materials: Design for Planetary Entry, Electric Aircraft, and Beyond

NASA Technical Reports Server (NTRS)

Thompson, Alexander; Lawson, John W.

2014-01-01

NASA missions push the limits of what is possible. The development of high-performance materials must keep pace with the agency's demanding, cutting-edge applications. Researchers at NASA's Ames Research Center are performing multiscale computational modeling to accelerate development times and further the design of next-generation aerospace materials. Multiscale modeling combines several computationally intensive techniques ranging from the atomic level to the macroscale, passing output from one level as input to the next level. These methods are applicable to a wide variety of materials systems. For example: (a) Ultra-high-temperature ceramics for hypersonic aircraft-we utilized the full range of multiscale modeling to characterize thermal protection materials for faster, safer air- and spacecraft, (b) Planetary entry heat shields for space vehicles-we computed thermal and mechanical properties of ablative composites by combining several methods, from atomistic simulations to macroscale computations, (c) Advanced batteries for electric aircraft-we performed large-scale molecular dynamics simulations of advanced electrolytes for ultra-high-energy capacity batteries to enable long-distance electric aircraft service; and (d) Shape-memory alloys for high-efficiency aircraft-we used high-fidelity electronic structure calculations to determine phase diagrams in shape-memory transformations. Advances in high-performance computing have been critical to the development of multiscale materials modeling. We used nearly one million processor hours on NASA's Pleiades supercomputer to characterize electrolytes with a fidelity that would be otherwise impossible. For this and other projects, Pleiades enables us to push the physics and accuracy of our calculations to new levels.

Spatial-pattern-induced evolution of a self-replicating loop network.

PubMed

Suzuki, Keisuke; Ikegami, Takashi

2006-01-01

We study a system of self-replicating loops in which interaction rules between individuals allow competition that leads to the formation of a hypercycle-like network. The main feature of the model is the multiple layers of interaction between loops, which lead to both global spatial patterns and local replication. The network of loops manifests itself as a spiral structure from which new kinds of self-replicating loops emerge at the boundaries between different species. In these regions, larger and more complex self-replicating loops live for longer periods of time, managing to self-replicate in spite of their slower replication. Of particular interest is how micro-scale interactions between replicators lead to macro-scale spatial pattern formation, and how these macro-scale patterns in turn perturb the micro-scale replication dynamics.

Multiscale Modeling and Uncertainty Quantification for Nuclear Fuel Performance

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

Estep, Donald; El-Azab, Anter; Pernice, Michael

2017-03-23

In this project, we will address the challenges associated with constructing high fidelity multiscale models of nuclear fuel performance. We (*) propose a novel approach for coupling mesoscale and macroscale models, (*) devise efficient numerical methods for simulating the coupled system, and (*) devise and analyze effective numerical approaches for error and uncertainty quantification for the coupled multiscale system. As an integral part of the project, we will carry out analysis of the effects of upscaling and downscaling, investigate efficient methods for stochastic sensitivity analysis of the individual macroscale and mesoscale models, and carry out a posteriori error analysis formore » computed results. We will pursue development and implementation of solutions in software used at Idaho National Laboratories on models of interest to the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program.« less

Granular chaos and mixing: Whirled in a grain of sand.

PubMed

Shinbrot, Troy

2015-09-01

In this paper, we overview examples of chaos in granular flows. We begin by reviewing several remarkable behaviors that have intrigued researchers over the past few decades, and we then focus on three areas in which chaos plays an intrinsic role in granular behavior. First, we discuss pattern formation in vibrated beds, which we show is a direct result of chaotic scattering combined with dynamical dissipation. Next, we consider stick-slip motion, which involves chaotic scattering on the micro-scale, and which results in complex and as yet unexplained peculiarities on the macro-scale. Finally, we examine granular mixing, which we show combines micro-scale chaotic scattering and macro-scale stick-slip motion into behaviors that are well described by dynamical systems tools, such as iterative mappings.

Granular chaos and mixing: Whirled in a grain of sand

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

Shinbrot, Troy, E-mail: shinbrot@rutgers.edu

2015-09-15

In this paper, we overview examples of chaos in granular flows. We begin by reviewing several remarkable behaviors that have intrigued researchers over the past few decades, and we then focus on three areas in which chaos plays an intrinsic role in granular behavior. First, we discuss pattern formation in vibrated beds, which we show is a direct result of chaotic scattering combined with dynamical dissipation. Next, we consider stick-slip motion, which involves chaotic scattering on the micro-scale, and which results in complex and as yet unexplained peculiarities on the macro-scale. Finally, we examine granular mixing, which we show combinesmore » micro-scale chaotic scattering and macro-scale stick-slip motion into behaviors that are well described by dynamical systems tools, such as iterative mappings.« less

Multiscale X-ray and Proton Imaging of Bismuth-Tin Solidification

NASA Astrophysics Data System (ADS)

Gibbs, P. J.; Imhoff, S. D.; Morris, C. L.; Merrill, F. E.; Wilde, C. H.; Nedrow, P.; Mariam, F. G.; Fezzaa, K.; Lee, W.-K.; Clarke, A. J.

2014-08-01

The formation of structural patterns during metallic solidification is complex and multiscale in nature, ranging from the nanometer scale, where solid-liquid interface properties are important, to the macroscale, where casting mold filling and intended heat transfer are crucial. X-ray and proton imaging can directly interrogate structure, solute, and fluid flow development in metals from the microscale to the macroscale. X-rays permit high spatio-temporal resolution imaging of microscopic solidification dynamics in thin metal sections. Similarly, high-energy protons permit imaging of mesoscopic and macroscopic solidification dynamics in large sample volumes. In this article, we highlight multiscale x-ray and proton imaging of bismuth-tin alloy solidification to illustrate dynamic measurement of crystal growth rates and solute segregation profiles that can be that can be acquired using these techniques.

Stimuli-responsive Materials and Structures with Electrically Tunable Mechanical Properties

NASA Astrophysics Data System (ADS)

Auletta, Jeffrey Thomas

Electricity, a convenient stimulus, was used to manipulate the mechanical properties of two classes of materials, each with a different mechanism. In the first system, macroscale electroplastic elastomer hydrogels (EPEs) were reversibly cycled through soft and hard states by sequential application of oxidative and reductive potentials. Electrochemically reversible crosslinks were switched between strongly binding Fe3+ and weak to non-binding Fe2+, as determined by potentiometric titration.With the incorporation of graphene oxide (GO) into the EPE, a significant enhancement in modulus and toughness was observed, allowing for the preparation of thinner EPE samples, which could be reversibly cycled between soft and hard states over 30 minutes. Further characterization of this EPE by magnetic susceptibility measurements suggested the formation of multinuclear iron clusters within the gel. Copper-derived EPEs which exploited the same redox-controlled mechanism for switching between hard and soft states were also prepared. Here, the density of temporary crosslinks and the mechanical properties were controlled by reversibly switching between the +1 and +2 oxidation states, using a combination of electrochemical/air oxidation and chemical reduction. In addition to undergoing redox-controlled changes in modulus, these EPEs exhibited shape memory. In the second system, electroadhesion between ionomer layers was exploited to create laminate structures whose rigidity depended on the reversible polarization of the dielectric polymers. The role of the counter-ion in determining the intrinsic and electroadhesive properties of poly(ethylene-co-acrylic acid) ionomers in bi- and tri-layered laminate structures was examined. PEAA ionomers were prepared with three tetraalkylammonium cations (NR4 +, R = methyl, TMA+; ethyl, TEA+; and propyl, TPA+). Reflecting the increasing hydrophobicity of the longer alkyl chains, water uptake changed as a function of counterion with TMA+ > TEA+ > TPA+. The glass transition temperatures, electrical resistivities, elastic moduli, and coefficients of friction were measured and found to depend on the cation identity. Overall, the cation-influenced mechanical properties of the ionomer determined the flexural rigidity range, but not the magnitude of the rigidity change, between the on and off states.

Effect of particle-particle interactions on the acoustic radiation force in an ultrasonic standing wave

NASA Astrophysics Data System (ADS)

Lipkens, Bart; Ilinskii, Yurii A.; Zabolotskaya, Evgenia A.

2015-10-01

Ultrasonic standing waves are widely used for separation applications. In MEMS applications, a half wavelength standing wave field is generated perpendicular to a laminar flow. The acoustic radiation force exerted on the particle drives the particle to the center of the MEMS channel, where concentrated particles are harvested. In macro-scale applications, the ultrasonic standing wave spans multiple wavelengths. Examples of such applications are oil/water emulsion splitting [1], and blood/lipid separation [2]. In macro-scale applications, particles are typically trapped in the standing wave, resulting in clumping or coalescence of particles/droplets. Subsequent gravitational settling results in separation of the secondary phase. An often used expression for the radiation force on a particle is that derived by Gorkov [3]. The assumptions are that the particle size is small relative to the wavelength, and therefore, only monopole and dipole scattering contributions are used to calculate the radiation force. This framework seems satisfactory for MEMS scale applications where each particle is treated separately by the standing wave, and concentrations are typically low. In macro-scale applications, particle concentration is high, and particle clumping or droplet coalescence results in particle sizes not necessarily small relative to the wavelength. Ilinskii et al. developed a framework for calculation of the acoustic radiation force valid for any size particle [4]. However, this model does not take into account particle to particle effects, which can become important as particle concentration increases. It is known that an acoustic radiation force on a particle or a droplet is determined by the local field. An acoustic radiation force expression is developed that includes the effect of particle to particle interaction. The case of two neighboring particles is considered. The approach is based on sound scattering by the particles. The acoustic field at the location of one particle then consists of two components, the incident sound wave and the scattered field generated by the neighboring particle. The radiation force calculation then includes the contributions of these two fields and incorporates the mutual particle influence. In this investigation the droplet/particle influence on each other has been analyzed theoretically by using the method developed by Gorkov and modified by Ilinskii et al.

Effect of particle-particle interactions on the acoustic radiation force in an ultrasonic standing wave

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

Lipkens, Bart, E-mail: blipkens@wne.edu; Ilinskii, Yurii A., E-mail: ilinskii@gmail.com; Zabolotskaya, Evgenia A., E-mail: zheniazabolotskaya@gmail.com

Ultrasonic standing waves are widely used for separation applications. In MEMS applications, a half wavelength standing wave field is generated perpendicular to a laminar flow. The acoustic radiation force exerted on the particle drives the particle to the center of the MEMS channel, where concentrated particles are harvested. In macro-scale applications, the ultrasonic standing wave spans multiple wavelengths. Examples of such applications are oil/water emulsion splitting [1], and blood/lipid separation [2]. In macro-scale applications, particles are typically trapped in the standing wave, resulting in clumping or coalescence of particles/droplets. Subsequent gravitational settling results in separation of the secondary phase. Anmore » often used expression for the radiation force on a particle is that derived by Gorkov [3]. The assumptions are that the particle size is small relative to the wavelength, and therefore, only monopole and dipole scattering contributions are used to calculate the radiation force. This framework seems satisfactory for MEMS scale applications where each particle is treated separately by the standing wave, and concentrations are typically low. In macro-scale applications, particle concentration is high, and particle clumping or droplet coalescence results in particle sizes not necessarily small relative to the wavelength. Ilinskii et al. developed a framework for calculation of the acoustic radiation force valid for any size particle [4]. However, this model does not take into account particle to particle effects, which can become important as particle concentration increases. It is known that an acoustic radiation force on a particle or a droplet is determined by the local field. An acoustic radiation force expression is developed that includes the effect of particle to particle interaction. The case of two neighboring particles is considered. The approach is based on sound scattering by the particles. The acoustic field at the location of one particle then consists of two components, the incident sound wave and the scattered field generated by the neighboring particle. The radiation force calculation then includes the contributions of these two fields and incorporates the mutual particle influence. In this investigation the droplet/particle influence on each other has been analyzed theoretically by using the method developed by Gorkov and modified by Ilinskii et al.« less

Parametrically Optimized Carbon Nanotube-Coated Cold Cathode Spindt Arrays

PubMed Central

Yuan, Xuesong; Cole, Matthew T.; Zhang, Yu; Wu, Jianqiang; Milne, William I.; Yan, Yang

2017-01-01

Here, we investigate, through parametrically optimized macroscale simulations, the field electron emission from arrays of carbon nanotube (CNT)-coated Spindts towards the development of an emerging class of novel vacuum electron devices. The present study builds on empirical data gleaned from our recent experimental findings on the room temperature electron emission from large area CNT electron sources. We determine the field emission current of the present microstructures directly using particle in cell (PIC) software and present a new CNT cold cathode array variant which has been geometrically optimized to provide maximal emission current density, with current densities of up to 11.5 A/cm2 at low operational electric fields of 5.0 V/μm. PMID:28336845

Nanoparticle Superlattice Engineering with DNA

NASA Astrophysics Data System (ADS)

Macfarlane, Robert J.; Lee, Byeongdu; Jones, Matthew R.; Harris, Nadine; Schatz, George C.; Mirkin, Chad A.

2011-10-01

A current limitation in nanoparticle superlattice engineering is that the identities of the particles being assembled often determine the structures that can be synthesized. Therefore, specific crystallographic symmetries or lattice parameters can only be achieved using specific nanoparticles as building blocks (and vice versa). We present six design rules that can be used to deliberately prepare nine distinct colloidal crystal structures, with control over lattice parameters on the 25- to 150-nanometer length scale. These design rules outline a strategy to independently adjust each of the relevant crystallographic parameters, including particle size (5 to 60 nanometers), periodicity, and interparticle distance. As such, this work represents an advance in synthesizing tailorable macroscale architectures comprising nanoscale materials in a predictable fashion.

The mechanical analysis of thermo-magneto-electric laminated composites in nanoscale with the consideration of surface and flexoelectric effects

NASA Astrophysics Data System (ADS)

Shi, Shuanhu; Li, Peng; Jin, Feng

2018-01-01

A theoretical thermo-magneto-electric (TME) bilayer model is established based on the Hamilton principle, in which both surface effect and flexoelectricity are all taken into account. The governing equations are proposed with the aid of the nonlinear constitutive relations of giant magnetostrictive materials. These equations are general, which can be applied to analyze the coupled extensional, shear and bending deformations at both macroscale and nanoscale. As a specific example, the coupled extensional and bending motion of a slender beam suffering from external magnetic field and thermal variation is investigated, in which the Miller-Shenoy coefficient, magneto-electric (ME) effect, strain gradient and displacement are discussed in detail. After the necessary verification, a critical thickness of the TME model is proposed, below which the surface effect exhibits a remarkable influence on the mechanical behaviors and can not be ignored. It is revealed that the surface effect, flexoelectric effect and temperature increment are beneficial for the enhancement of the induced electric field. This study can provide theoretical basis for the design of nanoscale laminates, especially for the performance evaluation of ME composites under complex environment.

Effect of gamma irradiation on the wear behaviour of human tooth enamel

NASA Astrophysics Data System (ADS)

Qing, Ping; Huang, Shengbin; Gao, Shanshan; Qian, Linmao; Yu, Haiyang

2015-06-01

Radiotherapy is a frequently used treatment for oral cancer. Extensive research has been conducted to detect the mechanical properties of dental hard tissues after irradiation at the macroscale. However, little is known about the influence of irradiation on the tribological properties of enamel at the micro- or nanoscale. Therefore, this study aimed to investigate the effect of gamma irradiation on the wear behaviour of human tooth enamel in relation to prism orientation. Nanoscratch tests, surface profilometer and scanning electron microscope (SEM) analysis were used to evaluate the friction behaviour of enamel slabs before and after treatment with identical irradiation procedures. X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR) were performed to analyse the changes in crystallography and chemical composition induced by irradiation. Surface microhardness (SMH) alteration was also evaluated. The results showed that irradiation resulted in different scratch morphologies, friction coefficients and remnant depth and width at different loads. An inferior nanoscratch resistance was observed independent of prism orientation. Moreover, the variation of wear behaviours was closely related to changes in the crystallography, chemical composition and SMH of the enamel. Together, these measures indicated that irradiation had a direct deleterious effect on the wear behaviour of human tooth enamel.

Nano-inspired smart interfaces: fluidic interactivity and its impact on heat transfer

NASA Astrophysics Data System (ADS)

Kim, Beom Seok; Lee, Byoung In; Lee, Namkyu; Choi, Geehong; Gemming, Thomas; Cho, Hyung Hee

2017-03-01

Interface-inspired convection is a key heat transfer scheme for hot spot cooling and thermal energy transfer. An unavoidable trade-off of the convective heat transfer is pressure loss caused by fluidic resistance on an interface. To overcome this limitation, we uncover that nano-inspired interfaces can trigger a peculiar fluidic interactivity, which can pursue all the two sides of the coin: heat transfer and fluidic friction. We demonstrate the validity of a quasi-fin effect of Si-based nanostructures based on conductive capability of heat dissipation valid under the interactivity with fluidic viscous sublayer. The exclusive fluid-interface friction is achieved when the height of the nanostructures is much less than the thickness of the viscous sublayers in the turbulent regime. The strategic nanostructures show an enhancement of heat transfer coefficients in the wall jet region by more than 21% without any significant macroscale pressure loss under single-phase impinging jet. Nanostructures guaranteeing fluid access via an equivalent vacancy larger than the diffusive path length of viscid flow lead to local heat transfer enhancement of more than 13% at a stagnation point. Functional nanostructures will give shape to possible breakthroughs in heat transfer and its optimization can be pursued for engineered systems.

The Hydrodynamics and Odorant Transport Phenomena of Olfaction in the Hammerhead Shark

NASA Astrophysics Data System (ADS)

Rygg, Alex; Craven, Brent

2013-11-01

The hammerhead shark possesses a unique head morphology that is thought to facilitate enhanced olfactory performance. The olfactory organs, located at the distal ends of the cephalofoil, contain numerous lamellae that increase the surface area for olfaction. Functionally, for the shark to detect chemical stimuli, water-borne odors must reach the olfactory sensory epithelium that lines these lamellae. Thus, odorant transport from the aquatic environment to the sensory epithelium is the first critical step in olfaction. Here we investigate the hydrodynamics and odorant transport phenomena of olfaction in the hammerhead shark based on an anatomically-accurate reconstruction of the head and olfactory chamber from high-resolution micro-CT and MRI scans of a cadaver specimen. Computational fluid dynamics (CFD) simulations of water flow in the reconstructed model reveal the external and internal hydrodynamics of olfaction during swimming. Odorant transport in the olfactory organ is investigated using a multi-scale approach, whereby molecular dynamics (MD) simulations are used to calculate odorant partition coefficients that are subsequently utilized in macro-scale CFD simulations of odorant deposition. The hydrodynamic and odorant transport results are used to elucidate several important features of olfactory function in the hammerhead shark.

Meteorological satellite accomplishments

NASA Technical Reports Server (NTRS)

Allison, L. J.; Arking, A.; Bandeen, W. R.; Shenk, W. E.; Wexler, R.

1974-01-01

The various types of meteorological satellites are enumerated. Vertical sounding, parameter extraction technique, and both macroscale and mesoscale meteorological phenomena are discussed. The heat budget of the earth-atmosphere system is considered, along with ocean surface and hydrology.

Investigation of Micro- and Macro-Scale Transport Processes for Improved Fuel Cell Performance

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

Gu, Wenbin

2014-08-29

This report documents the work performed by General Motors (GM) under the Cooperative agreement No. DE-EE0000470, “Investigation of Micro- and Macro-Scale Transport Processes for Improved Fuel Cell Performance,” in collaboration with the Penn State University (PSU), University of Tennessee Knoxville (UTK), Rochester Institute of Technology (RIT), and University of Rochester (UR) via subcontracts. The overall objectives of the project are to investigate and synthesize fundamental understanding of transport phenomena at both the macro- and micro-scales for the development of a down-the-channel model that accounts for all transport domains in a broad operating space. GM as a prime contractor focused onmore » cell level experiments and modeling, and the Universities as subcontractors worked toward fundamental understanding of each component and associated interface.« less

Turbulence modeling and combustion simulation in porous media under high Peclet number

NASA Astrophysics Data System (ADS)

Moiseev, Andrey A.; Savin, Andrey V.

2018-05-01

Turbulence modelling in porous flows and burning still remains not completely clear until now. Undoubtedly, conventional turbulence models must work well under high Peclet numbers when porous channels shape is implemented in details. Nevertheless, the true turbulent mixing takes place at micro-scales only, and the dispersion mixing works at macro-scales almost independent from true turbulence. The dispersion mechanism is characterized by the definite space scale (scale of the porous structure) and definite velocity scale (filtration velocity). The porous structure is stochastic one usually, and this circumstance allows applying the analogy between space-time-stochastic true turbulence and the dispersion flow which is stochastic in space only, when porous flow is simulated at the macro-scale level. Additionally, the mentioned analogy allows applying well-known turbulent combustion models in simulations of porous combustion under high Peclet numbers.

Mechanical response of common millet (Panicum miliaceum) seeds under quasi-static compression: Experiments and modeling.

PubMed

Hasseldine, Benjamin P J; Gao, Chao; Collins, Joseph M; Jung, Hyun-Do; Jang, Tae-Sik; Song, Juha; Li, Yaning

2017-09-01

The common millet (Panicum miliaceum) seedcoat has a fascinating complex microstructure, with jigsaw puzzle-like epidermis cells articulated via wavy intercellular sutures to form a compact layer to protect the kernel inside. However, little research has been conducted on linking the microstructure details with the overall mechanical response of this interesting biological composite. To this end, an integrated experimental-numerical-analytical investigation was conducted to both characterize the microstructure and ascertain the microscale mechanical properties and to test the overall response of kernels and full seeds under macroscale quasi-static compression. Scanning electron microscopy (SEM) was utilized to examine the microstructure of the outer seedcoat and nanoindentation was performed to obtain the material properties of the seedcoat hard phase material. A multiscale computational strategy was applied to link the microstructure to the macroscale response of the seed. First, the effective anisotropic mechanical properties of the seedcoat were obtained from finite element (FE) simulations of a microscale representative volume element (RVE), which were further verified from sophisticated analytical models. Then, macroscale FE models of the individual kernel and full seed were developed. Good agreement between the compression experiments and FE simulations were obtained for both the kernel and the full seed. The results revealed the anisotropic property and the protective function of the seedcoat, and showed that the sutures of the seedcoat play an important role in transmitting and distributing loads in responding to external compression. Copyright © 2017 Elsevier Ltd. All rights reserved.

Nanowire active-matrix circuitry for low-voltage macroscale artificial skin.

PubMed

Takei, Kuniharu; Takahashi, Toshitake; Ho, Johnny C; Ko, Hyunhyub; Gillies, Andrew G; Leu, Paul W; Fearing, Ronald S; Javey, Ali

2010-10-01

Large-scale integration of high-performance electronic components on mechanically flexible substrates may enable new applications in electronics, sensing and energy. Over the past several years, tremendous progress in the printing and transfer of single-crystalline, inorganic micro- and nanostructures on plastic substrates has been achieved through various process schemes. For instance, contact printing of parallel arrays of semiconductor nanowires (NWs) has been explored as a versatile route to enable fabrication of high-performance, bendable transistors and sensors. However, truly macroscale integration of ordered NW circuitry has not yet been demonstrated, with the largest-scale active systems being of the order of 1 cm(2) (refs 11,15). This limitation is in part due to assembly- and processing-related obstacles, although larger-scale integration has been demonstrated for randomly oriented NWs (ref. 16). Driven by this challenge, here we demonstrate macroscale (7×7 cm(2)) integration of parallel NW arrays as the active-matrix backplane of a flexible pressure-sensor array (18×19 pixels). The integrated sensor array effectively functions as an artificial electronic skin, capable of monitoring applied pressure profiles with high spatial resolution. The active-matrix circuitry operates at a low operating voltage of less than 5 V and exhibits superb mechanical robustness and reliability, without performance degradation on bending to small radii of curvature (2.5 mm) for over 2,000 bending cycles. This work presents the largest integration of ordered NW-array active components, and demonstrates a model platform for future integration of nanomaterials for practical applications.

Atomic-scale reversibility in sheared glasses

NASA Astrophysics Data System (ADS)

Fan, Meng; Wang, Minglei; Liu, Yanhui; Schroers, Jan; Shattuck, Mark; O'Hern, Corey

Systems become irreversible on a macroscopic scale when they are sheared beyond the yield strain and begin flowing. Using computer simulations of oscillatory shear, we investigate atomic scale reversibility. We employ molecular dynamics simulations to cool binary Lennard-Jones liquids to zero temperature over a wide range of cooling rates. We then apply oscillatory quasistatic shear at constant pressure to the zero-temperature glasses and identify neighbor-switching atomic rearrangement events. We determine the critical strain γ*, beyond which atoms in the system do not return to their original positions upon reversing the strain. We show that for more slowly cooled glasses, the average potential energy is lower and the typical size of atomic rearrangements is smaller, which correlates with larger γ*. Finally, we connect atomic- and macro-scale reversibility by determining the number of and correlations between the atomic rearrangements that occur as the system reaches the yield strain.

Quantifying the origins of life on a planetary scale.

PubMed

Scharf, Caleb; Cronin, Leroy

2016-07-19

A simple, heuristic formula with parallels to the Drake Equation is introduced to help focus discussion on open questions for the origins of life in a planetary context. This approach indicates a number of areas where quantitative progress can be made on parameter estimation for determining origins of life probabilities, based on constraints from Bayesian approaches. We discuss a variety of "microscale" factors and their role in determining "macroscale" abiogenesis probabilities on suitable planets. We also propose that impact ejecta exchange between planets with parallel chemistries and chemical evolution could in principle amplify the development of molecular complexity and abiogenesis probabilities. This amplification could be very significant, and both bias our conclusions about abiogenesis probabilities based on the Earth and provide a major source of variance in the probability of life arising in planetary systems. We use our heuristic formula to suggest a number of observational routes for improving constraints on origins of life probabilities.

GASP- General Aviation Synthesis Program. Volume 3: Aerodynamics

NASA Technical Reports Server (NTRS)

Hague, D.

1978-01-01

Aerodynamics calculations are treated in routines which concern moments as they vary with flight conditions and attitude. The subroutines discussed: (1) compute component equivalent flat plate and wetted areas and profile drag; (2) print and plot low and high speed drag polars; (3) determine life coefficient or angle of attack; (4) determine drag coefficient; (5) determine maximum lift coefficient and drag increment for various flap types and flap settings; and (6) determine required lift coefficient and drag coefficient in cruise flight.

Exploring the relationship between nanoscale dynamics and macroscopic rheology in natural polymer gums

DOE PAGES

Grein-Iankovski, Aline; Riegel-Vidotti, Izabel C.; Simas-Tosin, Fernanda F.; ...

2016-11-02

Here, we report a study connecting the nanoscale and macroscale structure and dynamics of Acacia mearnsii gum as probed by small-angle x-ray scattering (SAXS), x-ray photon correlation spectroscopy (XPCS) and rheology. Acacia gum, in general, is a complex polysaccharide used extensively in industry. Over the analyzed concentration range (15 to 30 wt%) the A. mearnsii gum is found to have a gel-like linear rheology and to exhibit shear thinning flow behavior under steady shear. The gum exhibited a steadily increasing elastic modulus with increasing time after they were prepared and also the emergence of shear thickening events within the shearmore » thinning behavior, characteristic of associative polymers. XPCS measurements using gold nanoparticles as tracers were used to explore the microscopic dynamics within the biopolymer gels and revealed a two-step relaxation process with a partial decay at inaccessibly short times, suggesting caged motion of the nanoparticles, followed by a slow decay at later delay times. Non-diffusive motion evidenced by a compressed exponential line shape and an inverse relationship between relaxation time and wave vector characterizes the slow dynamics of A. mearnsii gum gels. Surprisingly, we have determined that the nanometer-scale mean square displacement of the nanoparticles showed a close relationship to the values predicted from the macroscopic elastic properties of the material, obtained through the rheology experiments. Our results demonstrate the potential applicability of the XPCS technique in the natural polymers field to connect their macroscale properties with their nanoscale structure and dynamics.« less

Exploring the relationship between nanoscale dynamics and macroscopic rheology in natural polymer gums

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

Grein-Iankovski, Aline; Riegel-Vidotti, Izabel C.; Simas-Tosin, Fernanda F.

Here, we report a study connecting the nanoscale and macroscale structure and dynamics of Acacia mearnsii gum as probed by small-angle x-ray scattering (SAXS), x-ray photon correlation spectroscopy (XPCS) and rheology. Acacia gum, in general, is a complex polysaccharide used extensively in industry. Over the analyzed concentration range (15 to 30 wt%) the A. mearnsii gum is found to have a gel-like linear rheology and to exhibit shear thinning flow behavior under steady shear. The gum exhibited a steadily increasing elastic modulus with increasing time after they were prepared and also the emergence of shear thickening events within the shearmore » thinning behavior, characteristic of associative polymers. XPCS measurements using gold nanoparticles as tracers were used to explore the microscopic dynamics within the biopolymer gels and revealed a two-step relaxation process with a partial decay at inaccessibly short times, suggesting caged motion of the nanoparticles, followed by a slow decay at later delay times. Non-diffusive motion evidenced by a compressed exponential line shape and an inverse relationship between relaxation time and wave vector characterizes the slow dynamics of A. mearnsii gum gels. Surprisingly, we have determined that the nanometer-scale mean square displacement of the nanoparticles showed a close relationship to the values predicted from the macroscopic elastic properties of the material, obtained through the rheology experiments. Our results demonstrate the potential applicability of the XPCS technique in the natural polymers field to connect their macroscale properties with their nanoscale structure and dynamics.« less

On determination of sign of the piezo-optic coefficients using torsion method.

PubMed

Vasylkiv, Yurij; Savaryn, Viktoriya; Smaga, Ihor; Skab, Ihor; Vlokh, Rostyslav

2011-06-10

We have shown that a high-accuracy torsion method recently developed by the authors for measuring piezo-optic coefficients allows determining not only the absolute value of the coefficients but also their sign. The techniques and experimental procedures used for determination of the sign are described in detail and proven based on studies of α-BaB2O4 and LiNbO3 crystals. The piezo-optic coefficients are determined for both crystals, and a combination of the corresponding photoelastic coefficients is determined for the case of α-BaB2O4 crystals.

Materials science: How to suck like an octopus

NASA Astrophysics Data System (ADS)

Wilker, Jonathan J.

2017-06-01

Rubber sheets that reversibly bind and release substrates have been made by copying a subtlety in the shape of octopus suckers. The findings reveal how macro-scale biological structures can influence function. See Letter p.396

Accessibility Measures: Formulation Considerations and Current Applications

DOT National Transportation Integrated Search

2000-09-01

This report examines micro-scale and macro-scale factors for inclusion in an ideal accessibility measure. Their potential influence on the evaluation of mode choice and destination choice is discussed. Availability in Texas' major cities is presented...

A Raman chemical imaging system for detection of contaminants in food

NASA Astrophysics Data System (ADS)

Chao, Kaunglin; Qin, Jianwei; Kim, Moon S.; Mo, Chang Yeon

2011-06-01

This study presented a preliminary investigation into the use of macro-scale Raman chemical imaging for the screening of dry milk powder for the presence of chemical contaminants. Melamine was mixed into dry milk at concentrations (w/w) of 0.2%, 0.5%, 1.0%, 2.0%, 5.0%, and 10.0% and images of the mixtures were analyzed by a spectral information divergence algorithm. Ammonium sulfate, dicyandiamide, and urea were each separately mixed into dry milk at concentrations of (w/w) of 0.5%, 1.0%, and 5.0%, and an algorithm based on self-modeling mixture analysis was applied to these sample images. The contaminants were successfully detected and the spatial distribution of the contaminants within the sample mixtures was visualized using these algorithms. Although further studies are necessary, macro-scale Raman chemical imaging shows promise for use in detecting contaminants in food ingredients and may also be useful for authentication of food ingredients.

The Effect of Scale Dependent Discretization on the Progressive Failure of Composite Materials Using Multiscale Analyses

NASA Technical Reports Server (NTRS)

Ricks, Trenton M.; Lacy, Thomas E., Jr.; Pineda, Evan J.; Bednarcyk, Brett A.; Arnold, Steven M.

2013-01-01

A multiscale modeling methodology, which incorporates a statistical distribution of fiber strengths into coupled micromechanics/ finite element analyses, is applied to unidirectional polymer matrix composites (PMCs) to analyze the effect of mesh discretization both at the micro- and macroscales on the predicted ultimate tensile (UTS) strength and failure behavior. The NASA code FEAMAC and the ABAQUS finite element solver were used to analyze the progressive failure of a PMC tensile specimen that initiates at the repeating unit cell (RUC) level. Three different finite element mesh densities were employed and each coupled with an appropriate RUC. Multiple simulations were performed in order to assess the effect of a statistical distribution of fiber strengths on the bulk composite failure and predicted strength. The coupled effects of both the micro- and macroscale discretizations were found to have a noticeable effect on the predicted UTS and computational efficiency of the simulations.

Biological Soft Robotics.

PubMed

Feinberg, Adam W

2015-01-01

In nature, nanometer-scale molecular motors are used to generate force within cells for diverse processes from transcription and transport to muscle contraction. This adaptability and scalability across wide temporal, spatial, and force regimes have spurred the development of biological soft robotic systems that seek to mimic and extend these capabilities. This review describes how molecular motors are hierarchically organized into larger-scale structures in order to provide a basic understanding of how these systems work in nature and the complexity and functionality we hope to replicate in biological soft robotics. These span the subcellular scale to macroscale, and this article focuses on the integration of biological components with synthetic materials, coupled with bioinspired robotic design. Key examples include nanoscale molecular motor-powered actuators, microscale bacteria-controlled devices, and macroscale muscle-powered robots that grasp, walk, and swim. Finally, the current challenges and future opportunities in the field are addressed.

Macroscale delivery systems for molecular and cellular payloads

NASA Astrophysics Data System (ADS)

Kearney, Cathal J.; Mooney, David J.

2013-11-01

Macroscale drug delivery (MDD) devices are engineered to exert spatiotemporal control over the presentation of a wide range of bioactive agents, including small molecules, proteins and cells. In contrast to systemically delivered drugs, MDD systems act as a depot of drug localized to the treatment site, which can increase drug effectiveness while reducing side effects and confer protection to labile drugs. In this Review, we highlight the key advantages of MDD systems, describe their mechanisms of spatiotemporal control and provide guidelines for the selection of carrier materials. We also discuss the combination of MDD technologies with classic medical devices to create multifunctional MDD devices that improve integration with host tissue, and the use of MDD technology in tissue-engineering strategies to direct cell behaviour. As our ever-expanding knowledge of human biology and disease provides new therapeutic targets that require precise control over their application, the importance of MDD devices in medicine is expected to increase.

A grain boundary damage model for delamination

NASA Astrophysics Data System (ADS)

Messner, M. C.; Beaudoin, A. J.; Dodds, R. H.

2015-07-01

Intergranular failure in metallic materials represents a multiscale damage mechanism: some feature of the material microstructure triggers the separation of grain boundaries on the microscale, but the intergranular fractures develop into long cracks on the macroscale. This work develops a multiscale model of grain boundary damage for modeling intergranular delamination—a failure of one particular family of grain boundaries sharing a common normal direction. The key feature of the model is a physically-consistent and mesh independent, multiscale scheme that homogenizes damage at many grain boundaries on the microscale into a single damage parameter on the macroscale to characterize material failure across a plane. The specific application of the damage framework developed here considers delamination failure in modern Al-Li alloys. However, the framework may be readily applied to other metals or composites and to other non-delamination interface geometries—for example, multiple populations of material interfaces with different geometric characteristics.

Open-access microfluidic patch-clamp array with raised lateral cell trapping sites.

PubMed

Lau, Adrian Y; Hung, Paul J; Wu, Angela R; Lee, Luke P

2006-12-01

A novel open-access microfluidic patch-clamp array chip with lateral cell trapping sites raised above the bottom plane of the chip was developed by combining both a microscale soft-lithography and a macroscale polymer fabrication method. This paper demonstrates the capability of using such an open-access fluidic system for patch-clamp measurements. The surface of the open-access patch-clamp sites prepared by the macroscale hole patterning method of soft-state elastic polydimethylsiloxane (PDMS) is examined; the seal resistances are characterized and correlated with the aperture dimensions. Whole cell patch-clamp measurements are carried out with CHO cells expressing Kv2.1 ion channels. Kv2.1 ion channel blocker (TEA) dosage response is characterized and the binding activity is examined. The results demonstrate that the system is capable of performing whole cell measurements and drug profiling in a more efficient manner than the traditional patch-clamp set-up.

Teslaphoresis of Carbon Nanotubes.

PubMed

Bornhoeft, Lindsey R; Castillo, Aida C; Smalley, Preston R; Kittrell, Carter; James, Dustin K; Brinson, Bruce E; Rybolt, Thomas R; Johnson, Bruce R; Cherukuri, Tonya K; Cherukuri, Paul

2016-04-26

This paper introduces Teslaphoresis, the directed motion and self-assembly of matter by a Tesla coil, and studies this electrokinetic phenomenon using single-walled carbon nanotubes (CNTs). Conventional directed self-assembly of matter using electric fields has been restricted to small scale structures, but with Teslaphoresis, we exceed this limitation by using the Tesla coil's antenna to create a gradient high-voltage force field that projects into free space. CNTs placed within the Teslaphoretic (TEP) field polarize and self-assemble into wires that span from the nanoscale to the macroscale, the longest thus far being 15 cm. We show that the TEP field not only directs the self-assembly of long nanotube wires at remote distances (>30 cm) but can also wirelessly power nanotube-based LED circuits. Furthermore, individualized CNTs self-organize to form long parallel arrays with high fidelity alignment to the TEP field. Thus, Teslaphoresis is effective for directed self-assembly from the bottom-up to the macroscale.

Multi-Scale Modeling of Liquid Phase Sintering Affected by Gravity: Preliminary Analysis

NASA Technical Reports Server (NTRS)

Olevsky, Eugene; German, Randall M.

2012-01-01

A multi-scale simulation concept taking into account impact of gravity on liquid phase sintering is described. The gravity influence can be included at both the micro- and macro-scales. At the micro-scale, the diffusion mass-transport is directionally modified in the framework of kinetic Monte-Carlo simulations to include the impact of gravity. The micro-scale simulations can provide the values of the constitutive parameters for macroscopic sintering simulations. At the macro-scale, we are attempting to embed a continuum model of sintering into a finite-element framework that includes the gravity forces and substrate friction. If successful, the finite elements analysis will enable predictions relevant to space-based processing, including size and shape and property predictions. Model experiments are underway to support the models via extraction of viscosity moduli versus composition, particle size, heating rate, temperature and time.

Scaling, soil moisture and evapotranspiration in runoff models

NASA Technical Reports Server (NTRS)

Wood, Eric F.

1993-01-01

The effects of small-scale heterogeneity in land surface characteristics on the large-scale fluxes of water and energy in the land-atmosphere system has become a central focus of many of the climatology research experiments. The acquisition of high resolution land surface data through remote sensing and intensive land-climatology field experiments (like HAPEX and FIFE) has provided data to investigate the interactions between microscale land-atmosphere interactions and macroscale models. One essential research question is how to account for the small scale heterogeneities and whether 'effective' parameters can be used in the macroscale models. To address this question of scaling, the probability distribution for evaporation is derived which illustrates the conditions for which scaling should work. A correction algorithm that may appropriate for the land parameterization of a GCM is derived using a 2nd order linearization scheme. The performance of the algorithm is evaluated.

Some critical issues in the characterization of nanoscale thermal conductivity by molecular dynamics analysis

NASA Astrophysics Data System (ADS)

Ehsan Khaled, Mohammad; Zhang, Liangchi; Liu, Weidong

2018-07-01

The nanoscale thermal conductivity of a material can be significantly different from its value at the macroscale. Although a number of studies using the equilibrium molecular dynamics (EMD) with Green–Kubo (GK) formula have been conducted for nano-conductivity predictions, there are many problems in the analysis that have made the EMD results unreliable or misleading. This paper aims to clarify such critical issues through a thorough investigation on the effect and determination of the vital physical variables in the EMD-GK analysis, using the prediction of the nanoscale thermal conductivity of Si as an example. The study concluded that to have a reliable prediction, quantum correction, time step, simulation time, correlation time and system size are all crucial.

Revealing the physical insight of a length-scale parameter in metamaterials by exploiting the variational formulation

NASA Astrophysics Data System (ADS)

Abali, B. Emek

2018-04-01

For micro-architectured materials with a substructure, called metamaterials, we can realize a direct numerical simulation in the microscale by using classical mechanics. This method is accurate, however, computationally costly. Instead, a solution of the same problem in the macroscale is possible by means of the generalized mechanics. In this case, no detailed modeling of the substructure is necessary; however, new parameters emerge. A physical interpretation of these metamaterial parameters is challenging leading to a lack of experimental strategies for their determination. In this work, we exploit the variational formulation based on action principles and obtain a direct relation between a parameter used in the kinetic energy and a metamaterial parameter in the case of a viscoelastic model.

Gas-film coefficients for the volatilization of ethylene dibromide from water

USGS Publications Warehouse

Rathbun, R.E.; Tal, D.Y.

1986-01-01

Gas-film coefficients for the volatilization of ethylene dibromide (EDB) and water were determined in the laboratory as a function of wind speed and temperature. The ratio of the coefficients was independent of wind speed and increased slightly with temperature. Use of this ratio with an environmentally determined gas-film coefficient for the evaporation of water permits determination of the gas-film coefficient for the volatilization of EDB from environmental waters.

Biology meets physics: Reductionism and multi-scale modeling of morphogenesis.

PubMed

Green, Sara; Batterman, Robert

2017-02-01

A common reductionist assumption is that macro-scale behaviors can be described "bottom-up" if only sufficient details about lower-scale processes are available. The view that an "ideal" or "fundamental" physics would be sufficient to explain all macro-scale phenomena has been met with criticism from philosophers of biology. Specifically, scholars have pointed to the impossibility of deducing biological explanations from physical ones, and to the irreducible nature of distinctively biological processes such as gene regulation and evolution. This paper takes a step back in asking whether bottom-up modeling is feasible even when modeling simple physical systems across scales. By comparing examples of multi-scale modeling in physics and biology, we argue that the "tyranny of scales" problem presents a challenge to reductive explanations in both physics and biology. The problem refers to the scale-dependency of physical and biological behaviors that forces researchers to combine different models relying on different scale-specific mathematical strategies and boundary conditions. Analyzing the ways in which different models are combined in multi-scale modeling also has implications for the relation between physics and biology. Contrary to the assumption that physical science approaches provide reductive explanations in biology, we exemplify how inputs from physics often reveal the importance of macro-scale models and explanations. We illustrate this through an examination of the role of biomechanical modeling in developmental biology. In such contexts, the relation between models at different scales and from different disciplines is neither reductive nor completely autonomous, but interdependent. Copyright © 2016 Elsevier Ltd. All rights reserved.

An Improved Method of Predicting Extinction Coefficients for the Determination of Protein Concentration.

PubMed

Hilario, Eric C; Stern, Alan; Wang, Charlie H; Vargas, Yenny W; Morgan, Charles J; Swartz, Trevor E; Patapoff, Thomas W

2017-01-01

Concentration determination is an important method of protein characterization required in the development of protein therapeutics. There are many known methods for determining the concentration of a protein solution, but the easiest to implement in a manufacturing setting is absorption spectroscopy in the ultraviolet region. For typical proteins composed of the standard amino acids, absorption at wavelengths near 280 nm is due to the three amino acid chromophores tryptophan, tyrosine, and phenylalanine in addition to a contribution from disulfide bonds. According to the Beer-Lambert law, absorbance is proportional to concentration and path length, with the proportionality constant being the extinction coefficient. Typically the extinction coefficient of proteins is experimentally determined by measuring a solution absorbance then experimentally determining the concentration, a measurement with some inherent variability depending on the method used. In this study, extinction coefficients were calculated based on the measured absorbance of model compounds of the four amino acid chromophores. These calculated values for an unfolded protein were then compared with an experimental concentration determination based on enzymatic digestion of proteins. The experimentally determined extinction coefficient for the native proteins was consistently found to be 1.05 times the calculated value for the unfolded proteins for a wide range of proteins with good accuracy and precision under well-controlled experimental conditions. The value of 1.05 times the calculated value was termed the predicted extinction coefficient. Statistical analysis shows that the differences between predicted and experimentally determined coefficients are scattered randomly, indicating no systematic bias between the values among the proteins measured. The predicted extinction coefficient was found to be accurate and not subject to the inherent variability of experimental methods. We propose the use of a predicted extinction coefficient for determining the protein concentration of therapeutic proteins starting from early development through the lifecycle of the product. LAY ABSTRACT: Knowing the concentration of a protein in a pharmaceutical solution is important to the drug's development and posology. There are many ways to determine the concentration, but the easiest one to use in a testing lab employs absorption spectroscopy. Absorbance of ultraviolet light by a protein solution is proportional to its concentration and path length; the proportionality constant is the extinction coefficient. The extinction coefficient of a protein therapeutic is usually determined experimentally during early product development and has some inherent method variability. In this study, extinction coefficients of several proteins were calculated based on the measured absorbance of model compounds. These calculated values for an unfolded protein were then compared with experimental concentration determinations based on enzymatic digestion of the proteins. The experimentally determined extinction coefficient for the native protein was 1.05 times the calculated value for the unfolded protein with good accuracy and precision under controlled experimental conditions, so the value of 1.05 times the calculated coefficient was called the predicted extinction coefficient. Comparison of predicted and measured extinction coefficients indicated that the predicted value was very close to the experimentally determined values for the proteins. The predicted extinction coefficient was accurate and removed the variability inherent in experimental methods. © PDA, Inc. 2017.

Expanded uncertainty estimation methodology in determining the sandy soils filtration coefficient

NASA Astrophysics Data System (ADS)

Rusanova, A. D.; Malaja, L. D.; Ivanov, R. N.; Gruzin, A. V.; Shalaj, V. V.

2018-04-01

The combined standard uncertainty estimation methodology in determining the sandy soils filtration coefficient has been developed. The laboratory researches were carried out which resulted in filtration coefficient determination and combined uncertainty estimation obtaining.

Determination of Flow Resistance Coefficient for Vegetation in Open Channel: Laboratory study

NASA Astrophysics Data System (ADS)

Aliza Ahmad, Noor; Ali, ZarinaMd; Arish, Nur Aini Mohd; Munirah Mat Daud, Azra; Fatin Amirah Alias, Nur

2018-04-01

This study focused on determination of flow resistances coefficient for grass in an open channel. Laboratory works were conducted to examine the effects of varying of roughness elements on the flume to determine flow resistance coefficient and also to determine the optimum flow resistance with five different flow rate, Q. Laboratory study with two type of vegetation which are Cow Grass and Pearl Grass were implementing to the bed of a flume. The roughness coefficient, n value is determine using Manning’s equation while Soil Conservation Services (SCS) method was used to determine the surface resistance. From the experiment, the flow resistance coefficient for Cow Grass in range 0.0008 - 0.0039 while Pearl Grass value for the flow resistance coefficient are in between 0.0013 - 0.0054. As a conclusion the vegetation roughness value in open channel are depends on density, distribution type of vegetation used and physical characteristic of the vegetation itself

MODELING OF MACROSCALE AGRICULTURAL ELEMENTS IN PESTICIDE EXPOSURE

EPA Science Inventory

Yuma County, Arizona, is the site of year around agriculture. To understand the role of agricultural pesticide exposures experienced by children, urinary metabolite concentrations were compared with agricultural use of pesticides. The urinary metabolite and household data wer...

A new methodology for determining dispersion coefficient using ordinary and partial differential transport equations.

PubMed

Cho, Kyung Hwa; Lee, Seungwon; Ham, Young Sik; Hwang, Jin Hwan; Cha, Sung Min; Park, Yongeun; Kim, Joon Ha

2009-01-01

The present study proposes a methodology for determining the effective dispersion coefficient based on the field measurements performed in Gwangju (GJ) Creek in South Korea which is environmentally degraded by the artificial interferences such as weirs and culverts. Many previous works determining the dispersion coefficient were limited in application due to the complexity and artificial interferences in natural stream. Therefore, the sequential combination of N-Tank-In-Series (NTIS) model and Advection-Dispersion-Reaction (ADR) model was proposed for evaluating dispersion process in complex stream channel in this study. The series of water quality data were intensively monitored in the field to determine the effective dispersion coefficient of E. coli in rainy day. As a result, the suggested methodology reasonably estimates the dispersion coefficient for GJ Creek with 1.25 m(2)/s. Also, the sequential combined method provided Number of tank-Velocity-Dispersion coefficient (NVD) curves for convenient evaluation of dispersion coefficient of other rivers or streams. Comparing the previous studies, the present methodology is quite general and simple for determining the effective dispersion coefficients which are applicable for other rivers and streams.

Determining the Viscosity Coefficient for Viscoelastic Wave Propagation in Rock Bars

NASA Astrophysics Data System (ADS)

Niu, Leilei; Zhu, Wancheng; Li, Shaohua; Guan, Kai

2018-05-01

Rocks with microdefects exhibit viscoelastic behavior during stress wave propagation. The viscosity coefficient of the wave can be used to characterize the attenuation as the wave propagates in rock. In this study, a long artificial bar with a readily adjustable viscosity coefficient was fabricated to investigate stress wave attenuation. The viscoelastic behavior of the artificial bar under dynamic loading was investigated, and the initial viscoelastic coefficient was obtained based on the amplitude attenuation of the incident harmonic wave. A one-dimensional wave propagation program was compiled to reproduce the time history of the stress wave measured during the experiments, and the program was well fitted to the Kelvin-Voigt model. The attenuation and dispersion of the stress wave in long artificial viscoelastic bars were quantified to accurately determine the viscoelastic coefficient. Finally, the method used to determine the viscoelastic coefficient of a long artificial bar based on the experiments and numerical simulations was extended to determine the viscoelastic coefficient of a short rock bar. This study provides a new method of determining the viscosity coefficient of rock.

Micro-Scale Distribution of CA4+ in Ex Vivo Human Articular Cartilage Detected with Contrast-Enhanced Micro-Computed Tomography Imaging

NASA Astrophysics Data System (ADS)

Karhula, Sakari S.; Finnilä, Mikko A.; Freedman, Jonathan D.; Kauppinen, Sami; Valkealahti, Maarit; Lehenkari, Petri; Pritzker, Kenneth P. H.; Nieminen, Heikki J.; Snyder, Brian D.; Grinstaff, Mark W.; Saarakkala, Simo

2017-08-01

Contrast-enhanced micro-computed tomography (CEµCT) with cationic and anionic contrast agents reveals glycosaminoglycan (GAG) content and distribution in articular cartilage (AC). The advantage of using cationic stains (e.g. CA4+) compared to anionic stains (e.g. Hexabrix®), is that it distributes proportionally with GAGs, while anionic stain distribution in AC is inversely proportional to the GAG content. To date, studies using cationic stains have been conducted with sufficient resolution to study its distributions on the macro-scale, but with insufficient resolution to study its distributions on the micro-scale. Therefore, it is not known whether the cationic contrast agents accumulate in extra/pericellular matrix and if they interact with chondrocytes. The insufficient resolution has also prevented to answer the question whether CA4+ accumulation in chondrons could lead to an erroneous quantification of GAG distribution with low-resolution µCT setups. In this study, we use high-resolution µCT to investigate whether CA4+ accumulates in chondrocytes, and further, to determine whether it affects the low-resolution ex vivo µCT studies of CA4+ stained human AC with varying degree of osteoarthritis. Human osteochondral samples were immersed in three different concentrations of CA4+ (3 mgI/ml, 6mgI/ml, and 24 mgI/ml) and imaged with high-resolution µCT at several timepoints. Different uptake diffusion profiles of CA4+ were observed between the segmented chondrons and the rest of the tissue. While the X-ray -detected CA4+ concentration in chondrons was greater than in the rest of the AC, its contribution to the uptake into the whole tissue was negligible and in line with macro-scale GAG content detected from histology. The efficient uptake of CA4+ into chondrons and surrounding territorial matrix can be explained by the micro-scale distribution of GAG content. CA4+ uptake in chondrons occurred regardless of the progression stage of osteoarthritis in the samples and the relative difference between the interterritorial matrix and segmented chondron area was less than 4%. To conclude, our results suggest that GAG quantification with CEµCT is not affected by the chondron uptake of CA4+. This further confirms the use of CA4+ for macro-scale assessment of GAG throughout the AC, and highlight the capability of studying chondron properties in 3D at the micro scale.

Glacial Influences on Solar Radiation in a Subarctic Sea.

EPA Science Inventory

Understanding macroscale processes controlling solar radia­tion in marine systems will be important in interpreting the potential effects of global change from increasing ultraviolet radiation (UV) and glacial retreat. This study provides the first quantitative assessment of UV i...

Statistical analysis of co-occurrence patterns in microbial presence-absence datasets.

PubMed

Mainali, Kumar P; Bewick, Sharon; Thielen, Peter; Mehoke, Thomas; Breitwieser, Florian P; Paudel, Shishir; Adhikari, Arjun; Wolfe, Joshua; Slud, Eric V; Karig, David; Fagan, William F

2017-01-01

Drawing on a long history in macroecology, correlation analysis of microbiome datasets is becoming a common practice for identifying relationships or shared ecological niches among bacterial taxa. However, many of the statistical issues that plague such analyses in macroscale communities remain unresolved for microbial communities. Here, we discuss problems in the analysis of microbial species correlations based on presence-absence data. We focus on presence-absence data because this information is more readily obtainable from sequencing studies, especially for whole-genome sequencing, where abundance estimation is still in its infancy. First, we show how Pearson's correlation coefficient (r) and Jaccard's index (J)-two of the most common metrics for correlation analysis of presence-absence data-can contradict each other when applied to a typical microbiome dataset. In our dataset, for example, 14% of species-pairs predicted to be significantly correlated by r were not predicted to be significantly correlated using J, while 37.4% of species-pairs predicted to be significantly correlated by J were not predicted to be significantly correlated using r. Mismatch was particularly common among species-pairs with at least one rare species (<10% prevalence), explaining why r and J might differ more strongly in microbiome datasets, where there are large numbers of rare taxa. Indeed 74% of all species-pairs in our study had at least one rare species. Next, we show how Pearson's correlation coefficient can result in artificial inflation of positive taxon relationships and how this is a particular problem for microbiome studies. We then illustrate how Jaccard's index of similarity (J) can yield improvements over Pearson's correlation coefficient. However, the standard null model for Jaccard's index is flawed, and thus introduces its own set of spurious conclusions. We thus identify a better null model based on a hypergeometric distribution, which appropriately corrects for species prevalence. This model is available from recent statistics literature, and can be used for evaluating the significance of any value of an empirically observed Jaccard's index. The resulting simple, yet effective method for handling correlation analysis of microbial presence-absence datasets provides a robust means of testing and finding relationships and/or shared environmental responses among microbial taxa.

Thermo-Oxidative Induced Damage in Polymer Composites: Microstructure Image-Based Multi-Scale Modeling and Experimental Validation

NASA Astrophysics Data System (ADS)

Hussein, Rafid M.; Chandrashekhara, K.

2017-11-01

A multi-scale modeling approach is presented to simulate and validate thermo-oxidation shrinkage and cracking damage of a high temperature polymer composite. The multi-scale approach investigates coupled transient diffusion-reaction and static structural at macro- to micro-scale. The micro-scale shrinkage deformation and cracking damage are simulated and validated using 2D and 3D simulations. Localized shrinkage displacement boundary conditions for the micro-scale simulations are determined from the respective meso- and macro-scale simulations, conducted for a cross-ply laminate. The meso-scale geometrical domain and the micro-scale geometry and mesh are developed using the object oriented finite element (OOF). The macro-scale shrinkage and weight loss are measured using unidirectional coupons and used to build the macro-shrinkage model. The cross-ply coupons are used to validate the macro-shrinkage model by the shrinkage profiles acquired using scanning electron images at the cracked surface. The macro-shrinkage model deformation shows a discrepancy when the micro-scale image-based cracking is computed. The local maximum shrinkage strain is assumed to be 13 times the maximum macro-shrinkage strain of 2.5 × 10-5, upon which the discrepancy is minimized. The microcrack damage of the composite is modeled using a static elastic analysis with extended finite element and cohesive surfaces by considering the modulus spatial evolution. The 3D shrinkage displacements are fed to the model using node-wise boundary/domain conditions of the respective oxidized region. Microcrack simulation results: length, meander, and opening are closely matched to the crack in the area of interest for the scanning electron images.

Disentangling diversity patterns in sandy beaches along environmental gradients.

PubMed

Barboza, Francisco R; Gómez, Julio; Lercari, Diego; Defeo, Omar

2012-01-01

Species richness in sandy beaches is strongly affected by concurrent variations in morphodynamics and salinity. However, as in other ecosystems, different groups of species may exhibit contrasting patterns in response to these environmental variables, which would be obscured if only aggregate richness is considered. Deconstructing biodiversity, i.e. considering richness patterns separately for different groups of species according to their taxonomic affiliation, dispersal mode or mobility, could provide a more complete understanding about factors that drive species richness patterns. This study analyzed macroscale variations in species richness at 16 Uruguayan sandy beaches with different morphodynamics, distributed along the estuarine gradient generated by the Rio de la Plata over a 2 year period. Species richness estimates were deconstructed to discriminate among taxonomic groups, supralittoral and intertidal forms, and groups with different feeding habits and development modes. Species richness was lowest at intermediate salinities, increasing towards oceanic and inner estuarine conditions, mainly following the patterns shown for intertidal forms. Moreover, there was a differential tolerance to salinity changes according to the habitat occupied and development mode, which determines the degree of sensitivity of faunal groups to osmotic stress. Generalized (additive and linear) mixed models showed a clear increase of species richness towards dissipative beaches. All taxonomic categories exhibited the same trend, even though responses to grain size and beach slope were less marked for crustaceans and insects than for molluscs or polychaetes. However, supralittoral crustaceans exhibited the opposite trend. Feeding groups decreased from dissipative to reflective systems, deposit feeders being virtually absent in the latter. This deconstructive approach highlights the relevance of life history strategies in structuring communities, highlighting the relative importance that salinity and morphodynamic gradients have on macroscale diversity patterns in sandy beaches.

Development of a novel precision instrument for high-resolution simultaneous normal and shear force measurements between small planar samples

NASA Astrophysics Data System (ADS)

Lundstrom, Troy; Clark, William; Jalili, Nader

2017-05-01

In the design and development of end effector pads for silicon wafer handling robots, it is imperative that the static friction/adhesion force properties of the pads with respect to a variety of planar surfaces be characterized. In this work, the overall design, calibration, and data acquisition procedure of an instrument developed for performing these measurements on small (<10 mm × 10 mm) planar samples is presented. This device was used to perform adhesion/maximum shear force measurements on polydimethylsiloxane, a silicon wafer, and custom carbon nanotubes forest surfaces. The device was successfully able to measure an effective, mean profile adhesion force of 715 μN between a silicon wafer and a polydimethylsiloxane (2.768 × 10-6 m2) sample. In addition, a nonlinear maximum shear over normal force relationship was also measured between custom carbon nanotubes forest and the silicon wafer surfaces. The maximum shear over a normal force coefficient was found to decrease with increasing initial normal force. Currently, there are numerous devices for measuring normal/shear forces at the nano/micro- and macroscales; however, this device allows for the consistent measurement of these same types of forces on components with surface dimensions ranging from 0.1 mm to 10 mm.

A hierarchy of granular continuum models: Why flowing grains are both simple and complex

NASA Astrophysics Data System (ADS)

Kamrin, Ken

2017-06-01

Granular materials have a strange propensity to behave as either a complex media or a simple media depending on the precise question being asked. This review paper offers a summary of granular flow rheologies for well-developed or steady-state motion, and seeks to explain this dichotomy through the vast range of complexity intrinsic to these models. A key observation is that to achieve accuracy in predicting flow fields in general geometries, one requires a model that accounts for a number of subtleties, most notably a nonlocal effect to account for cooperativity in the flow as induced by the finite size of grains. On the other hand, forces and tractions that develop on macro-scale, submerged boundaries appear to be minimally affected by grain size and, barring very rapid motions, are well represented by simple rate-independent frictional plasticity models. A major simplification observed in experiments of granular intrusion, which we refer to as the `resistive force hypothesis' of granular Resistive Force Theory, can be shown to arise directly from rate-independent plasticity. Because such plasticity models have so few parameters, and the major rheological parameter is a dimensionless internal friction coefficient, some of these simplifications can be seen as consequences of scaling.

Nano-inspired smart interfaces: fluidic interactivity and its impact on heat transfer

PubMed Central

Kim, Beom Seok; Lee, Byoung In; Lee, Namkyu; Choi, Geehong; Gemming, Thomas; Cho, Hyung Hee

2017-01-01

Interface-inspired convection is a key heat transfer scheme for hot spot cooling and thermal energy transfer. An unavoidable trade-off of the convective heat transfer is pressure loss caused by fluidic resistance on an interface. To overcome this limitation, we uncover that nano-inspired interfaces can trigger a peculiar fluidic interactivity, which can pursue all the two sides of the coin: heat transfer and fluidic friction. We demonstrate the validity of a quasi-fin effect of Si-based nanostructures based on conductive capability of heat dissipation valid under the interactivity with fluidic viscous sublayer. The exclusive fluid-interface friction is achieved when the height of the nanostructures is much less than the thickness of the viscous sublayers in the turbulent regime. The strategic nanostructures show an enhancement of heat transfer coefficients in the wall jet region by more than 21% without any significant macroscale pressure loss under single-phase impinging jet. Nanostructures guaranteeing fluid access via an equivalent vacancy larger than the diffusive path length of viscid flow lead to local heat transfer enhancement of more than 13% at a stagnation point. Functional nanostructures will give shape to possible breakthroughs in heat transfer and its optimization can be pursued for engineered systems. PMID:28345613

Laboratory simulations show diabatic heating drives cumulus-cloud evolution and entrainment

PubMed Central

Narasimha, Roddam; Diwan, Sourabh Suhas; Duvvuri, Subrahmanyam; Sreenivas, K. R.; Bhat, G. S.

2011-01-01

Clouds are the largest source of uncertainty in climate science, and remain a weak link in modeling tropical circulation. A major challenge is to establish connections between particulate microphysics and macroscale turbulent dynamics in cumulus clouds. Here we address the issue from the latter standpoint. First we show how to create bench-scale flows that reproduce a variety of cumulus-cloud forms (including two genera and three species), and track complete cloud life cycles—e.g., from a “cauliflower” congestus to a dissipating fractus. The flow model used is a transient plume with volumetric diabatic heating scaled dynamically to simulate latent-heat release from phase changes in clouds. Laser-based diagnostics of steady plumes reveal Riehl–Malkus type protected cores. They also show that, unlike the constancy implied by early self-similar plume models, the diabatic heating raises the Taylor entrainment coefficient just above cloud base, depressing it at higher levels. This behavior is consistent with cloud-dilution rates found in recent numerical simulations of steady deep convection, and with aircraft-based observations of homogeneous mixing in clouds. In-cloud diabatic heating thus emerges as the key driver in cloud development, and could well provide a major link between microphysics and cloud-scale dynamics. PMID:21918112

Temperature-Dependent Friction and Wear Behavior of PTFE and MoS 2

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

Babuska, T. F.; Pitenis, A. A.; Jones, M. R.

2016-06-16

We present an investigation of the temperature-dependent friction behavior of PTFE, MoS 2, and PTFE-on- MoS 2. Friction behavior was measured while continuously varying contact temperature in the range -150 to 175°C while sliding in dry nitrogen, as well as for self-mated PTFE immersed in liquid nitrogen. These results contrast with previous reports of monotonic inverse temperature dependent friction behavior, as well as reported high-friction transitions and plateaus at temperatures below about -20°C that were not observed, providing new insights about the molecular mechanisms of macro-scale friction. The temperature-dependent friction behavior characteristic of self-mated PTFE was found also on themore » PTFE-on-MoS 2 sliding contact, suggesting that PTFE friction was defined by sub-surface deformation mechanisms and internal friction even when sliding against a lamellar lubricant with extremely low friction coefficient (μ ~ 0.02). The various relaxation temperatures of PTFE were found in the temperature-dependent friction behavior, showing excellent agreement with reported values acquired using torsional techniques measuring internal friction. Additionally, hysteresis in friction behavior suggests an increase in near-surface crystallinity at upon exceeding the high temperature relaxation, T α~ 116°C.« less

Relaxation of contact-line singularities solely by the Kelvin effect and apparent contact angles for isothermal volatile liquids in contact with air

NASA Astrophysics Data System (ADS)

Rednikov, Alexey; Colinet, Pierre

2013-11-01

The contact (triple) line of a volatile liquid on a flat solid is studied theoretically. Like with a pure-vapor atmosphere [Phys. Rev. E 87, 010401, 2013], but here for isothermal diffusion-limited evaporation/condensation in the presence of an inert gas, we rigorously show that the notorious contact-line singularities (related to motion or phase change itself) can be regularized solely on account of the Kelvin effect (curvature dependence of the saturation conditions). No disjoining pressure, precursor films or Navier slip are in fact needed to this purpose, and nor are they taken into consideration here (``minimalist'' approach). The model applies to both perfect (zero Young's angle) and partial wetting, and is in particular used to study the related issue of evaporation-induced contact angles. Their modification by the contact-line motion (either advancing or receding) is assessed. The formulation is posed for a distinguished immediate vicinity of the contact line (the ``microregion''), the corresponding problem decoupling to leading order, here up to one unknown coefficient, from what actually happens at the macroscale. The lubrication approximation (implying sufficiently small contact angles) is used in the liquid, coupled with the diffusion equation in the gaz phase. Supported by ESA and BELSPO PRODEX and F.R.S.-FNRS.

Analyzing the Molecular Kinetics of Water Spreading on Hydrophobic Surfaces via Molecular Dynamics Simulation.

PubMed

Zhao, Lei; Cheng, Jiangtao

2017-09-07

In this paper, we report molecular kinetic analyses of water spreading on hydrophobic surfaces via molecular dynamics simulation. The hydrophobic surfaces are composed of amorphous polytetrafluoroethylene (PTFE) with a static contact angle of ~112.4° for water. On the basis of the molecular kinetic theory (MKT), the influences of both viscous damping and solid-liquid retarding were analyzed in evaluating contact line friction, which characterizes the frictional force on the contact line. The unit displacement length on PTFE was estimated to be ~0.621 nm and is ~4 times as long as the bond length of C-C backbone. The static friction coefficient was found to be ~[Formula: see text] Pa·s, which is on the same order of magnitude as the dynamic viscosity of water, and increases with the droplet size. A nondimensional number defined by the ratio of the standard deviation of wetting velocity to the characteristic wetting velocity was put forward to signify the strength of the inherent contact line fluctuation and unveil the mechanism of enhanced energy dissipation in nanoscale, whereas such effect would become insignificant in macroscale. Moreover, regarding a liquid droplet on hydrophobic or superhydrophobic surfaces, an approximate solution to the base radius development was derived by an asymptotic expansion approach.

Microbial biofilm detection on food contact surfaces by macro-scale fluorescence imaging

USDA-ARS?s Scientific Manuscript database

Hyperspectral fluorescence imaging methods were utilized to evaluate the potential of multispectral fluorescence methods for detection of pathogenic biofilm formations on four types of food contact surface materials: stainless steel, high density polyethylene (HDPE) commonly used for cutting boards,...

The Freshwater Landscape: Lake, Wetland, and Stream Abundance and Connectivity at Macroscales

EPA Science Inventory

It is becoming increasingly recognized that inland waterbodies and their surface hydrologic connections are active components in the landscape, influencing multiple ecological processes that can propagate to broad-scale phenomena such as regional nutrient and carbon cycles and me...

Oriented clonal cell dynamics enables accurate growth and shaping of vertebrate cartilage.

PubMed

Kaucka, Marketa; Zikmund, Tomas; Tesarova, Marketa; Gyllborg, Daniel; Hellander, Andreas; Jaros, Josef; Kaiser, Jozef; Petersen, Julian; Szarowska, Bara; Newton, Phillip T; Dyachuk, Vyacheslav; Li, Lei; Qian, Hong; Johansson, Anne-Sofie; Mishina, Yuji; Currie, Joshua D; Tanaka, Elly M; Erickson, Alek; Dudley, Andrew; Brismar, Hjalmar; Southam, Paul; Coen, Enrico; Chen, Min; Weinstein, Lee S; Hampl, Ales; Arenas, Ernest; Chagin, Andrei S; Fried, Kaj; Adameyko, Igor

2017-04-17

Cartilaginous structures are at the core of embryo growth and shaping before the bone forms. Here we report a novel principle of vertebrate cartilage growth that is based on introducing transversally-oriented clones into pre-existing cartilage. This mechanism of growth uncouples the lateral expansion of curved cartilaginous sheets from the control of cartilage thickness, a process which might be the evolutionary mechanism underlying adaptations of facial shape. In rod-shaped cartilage structures (Meckel, ribs and skeletal elements in developing limbs), the transverse integration of clonal columns determines the well-defined diameter and resulting rod-like morphology. We were able to alter cartilage shape by experimentally manipulating clonal geometries. Using in silico modeling, we discovered that anisotropic proliferation might explain cartilage bending and groove formation at the macro-scale.

U.S. biological experiments in space

NASA Technical Reports Server (NTRS)

Klein, H. P.

1981-01-01

The history of biologic experimentation in space is traced. Early balloon and rocket borne animals showed no abnormalities on the macroscale, and biosatellite launches with bacteria and amoebae revealed no microscopic dysfunctions. Adult Drosophila flies on board Cosmos spacecraft died with a shortened lifespan, while their offspring lived full lifespans. Green pepper plants grown in weightlessness showed a different orientation, but no physiological disturbances. Normal bone growth in rats has been found to almost cease after 11 days in space, and the mean life span of red blood cells decreases by four days. A series of experiments designed by U.S. scientists will be performed on primates provided and flown by the U.S.S.R. Finally, experiments on board Spacelab will involve determination of the persistence of circadian rhythms in bacteria and humans.

Achieving ICME with Multiscale Modeling: The Effects of Constituent Properties and Processing on the Performance of Laminated Polymer Matrix Composite Structures

NASA Technical Reports Server (NTRS)

Pineda, Evan Jorge; Bednarcyk, Brett A.; Arnold, Steven M.

2014-01-01

Integrated computational materials engineering (ICME) is a useful approach for tailoring the performance of a material. For fiber-reinforced composites, not only do the properties of the constituents of the composite affect the performance, but so does the architecture (or microstructure) of the constituents. The generalized method of cells is demonstrated to be a viable micromechanics tool for determining the effects of the microstructure on the performance of laminates. The micromechanics is used to predict the inputs for a macroscale model for a variety of different fiber volume fractions, and fiber architectures. Using this technique, the material performance can be tailored for specific applications by judicious selection of constituents, volume fraction, and architectural arrangement given a particular manufacturing scenario

A Finite Element Model to Predict the Effect of Porosity on Elastic Modulus in Low-Porosity Materials

NASA Astrophysics Data System (ADS)

Morrissey, Liam S.; Nakhla, Sam

2018-07-01

The effect of porosity on elastic modulus in low-porosity materials is investigated. First, several models used to predict the reduction in elastic modulus due to porosity are compared with a compilation of experimental data to determine their ranges of validity and accuracy. The overlapping solid spheres model is found to be most accurate with the experimental data and valid between 3 and 10 pct porosity. Next, a FEM is developed with the objective of demonstrating that a macroscale plate with a center hole can be used to model the effect of microscale porosity on elastic modulus. The FEM agrees best with the overlapping solid spheres model and shows higher accuracy with experimental data than the overlapping solid spheres model.

Macro Scale Independently Homogenized Subcells for Modeling Braided Composites

NASA Technical Reports Server (NTRS)

Blinzler, Brina J.; Goldberg, Robert K.; Binienda, Wieslaw K.

2012-01-01

An analytical method has been developed to analyze the impact response of triaxially braided carbon fiber composites, including the penetration velocity and impact damage patterns. In the analytical model, the triaxial braid architecture is simulated by using four parallel shell elements, each of which is modeled as a laminated composite. Currently, each shell element is considered to be a smeared homogeneous material. The commercial transient dynamic finite element code LS-DYNA is used to conduct the simulations, and a continuum damage mechanics model internal to LS-DYNA is used as the material constitutive model. To determine the stiffness and strength properties required for the constitutive model, a top-down approach for determining the strength properties is merged with a bottom-up approach for determining the stiffness properties. The top-down portion uses global strengths obtained from macro-scale coupon level testing to characterize the material strengths for each subcell. The bottom-up portion uses micro-scale fiber and matrix stiffness properties to characterize the material stiffness for each subcell. Simulations of quasi-static coupon level tests for several representative composites are conducted along with impact simulations.

Modeling non-equilibrium mass transport in biologically reactive porous media

NASA Astrophysics Data System (ADS)

Davit, Yohan; Debenest, Gérald; Wood, Brian D.; Quintard, Michel

2010-09-01

We develop a one-equation non-equilibrium model to describe the Darcy-scale transport of a solute undergoing biodegradation in porous media. Most of the mathematical models that describe the macroscale transport in such systems have been developed intuitively on the basis of simple conceptual schemes. There are two problems with such a heuristic analysis. First, it is unclear how much information these models are able to capture; that is, it is not clear what the model's domain of validity is. Second, there is no obvious connection between the macroscale effective parameters and the microscopic processes and parameters. As an alternative, a number of upscaling techniques have been developed to derive the appropriate macroscale equations that are used to describe mass transport and reactions in multiphase media. These approaches have been adapted to the problem of biodegradation in porous media with biofilms, but most of the work has focused on systems that are restricted to small concentration gradients at the microscale. This assumption, referred to as the local mass equilibrium approximation, generally has constraints that are overly restrictive. In this article, we devise a model that does not require the assumption of local mass equilibrium to be valid. In this approach, one instead requires only that, at sufficiently long times, anomalous behaviors of the third and higher spatial moments can be neglected; this, in turn, implies that the macroscopic model is well represented by a convection-dispersion-reaction type equation. This strategy is very much in the spirit of the developments for Taylor dispersion presented by Aris (1956). On the basis of our numerical results, we carefully describe the domain of validity of the model and show that the time-asymptotic constraint may be adhered to even for systems that are not at local mass equilibrium.

Lithium Self-Discharge and Its Prevention: Direct Visualization through In Situ Electrochemical Scanning Transmission Electron Microscopy

DOE PAGES

Harrison, Katharine L.; Zavadil, Kevin R.; Hahn, Nathan T.; ...

2017-11-07

To understand the mechanism that controls low-aspect-ratio lithium deposition morphologies for Li-metal anodes in batteries, we conducted direct visualization of Li-metal deposition and stripping behavior through nanoscale in situ electrochemical scanning transmission electron microscopy (EC-STEM) and macroscale-cell electrochemistry experiments in a recently developed and promising solvate electrolyte, 4 M lithium bis(fluorosulfonyl)imide in 1,2-dimethoxyethane. In contrast to published coin cell studies in the same electrolyte, our experiments revealed low Coulombic efficiencies and inhomogeneous Li morphology during in situ observation. In addition, we conclude that this discrepancy in Coulombic efficiency and morphology of the Li deposits was dependent on the presence ofmore » a compressed lithium separator interface, as we have confirmed through macroscale (not in the transmission electron microscope) electrochemical experiments. Our data suggests that cell compression changed how the solid-electrolyte interphase formed, which is likely responsible for improved morphology and Coulombic efficiency with compression. Furthermore, during the in situ EC-STEM experiments, we observed direct evidence of nanoscale self-discharge in the solvate electrolyte (in the state of electrical isolation). This self-discharge was duplicated in the macroscale, but it was less severe with electrode compression, likely due to a more passivating and corrosion-resistant solid-electrolyte interphase formed in the presence of compression. By combining the solvate electrolyte with a protective LiAl 0.3S coating, we show that the Li nucleation density increased during deposition, leading to improved morphological uniformity. In conclusion, self-discharge was suppressed during rest periods in the cycling profile with coatings present, as evidenced through EC-STEM and confirmed with coin cell data.« less

Lithium Self-Discharge and Its Prevention: Direct Visualization through In Situ Electrochemical Scanning Transmission Electron Microscopy.

PubMed

Harrison, Katharine L; Zavadil, Kevin R; Hahn, Nathan T; Meng, Xiangbo; Elam, Jeffrey W; Leenheer, Andrew; Zhang, Ji-Guang; Jungjohann, Katherine L

2017-11-28

To understand the mechanism that controls low-aspect-ratio lithium deposition morphologies for Li-metal anodes in batteries, we conducted direct visualization of Li-metal deposition and stripping behavior through nanoscale in situ electrochemical scanning transmission electron microscopy (EC-STEM) and macroscale-cell electrochemistry experiments in a recently developed and promising solvate electrolyte, 4 M lithium bis(fluorosulfonyl)imide in 1,2-dimethoxyethane. In contrast to published coin cell studies in the same electrolyte, our experiments revealed low Coulombic efficiencies and inhomogeneous Li morphology during in situ observation. We conclude that this discrepancy in Coulombic efficiency and morphology of the Li deposits was dependent on the presence of a compressed lithium separator interface, as we have confirmed through macroscale (not in the transmission electron microscope) electrochemical experiments. Our data suggests that cell compression changed how the solid-electrolyte interphase formed, which is likely responsible for improved morphology and Coulombic efficiency with compression. Furthermore, during the in situ EC-STEM experiments, we observed direct evidence of nanoscale self-discharge in the solvate electrolyte (in the state of electrical isolation). This self-discharge was duplicated in the macroscale, but it was less severe with electrode compression, likely due to a more passivating and corrosion-resistant solid-electrolyte interphase formed in the presence of compression. By combining the solvate electrolyte with a protective LiAl 0.3 S coating, we show that the Li nucleation density increased during deposition, leading to improved morphological uniformity. Furthermore, self-discharge was suppressed during rest periods in the cycling profile with coatings present, as evidenced through EC-STEM and confirmed with coin cell data.

Bottom-up modeling of damage in heterogeneous quasi-brittle solids

NASA Astrophysics Data System (ADS)

Rinaldi, Antonio

2013-03-01

The theoretical modeling of multisite cracking in quasi-brittle materials is a complex damage problem, hard to model with traditional methods of fracture mechanics due to its multiscale nature and to strain localization induced by microcracks interaction. Macroscale "effective" elastic models can be conveniently applied if a suitable Helmholtz free energy function is identified for a given material scenario. Del Piero and Truskinovsky (Continuum Mech Thermodyn 21:141-171, 2009), among other authors, investigated macroscale continuum solutions capable of matching—in a top-down view—the phenomenology of the damage process for quasi-brittle materials regardless of the microstructure. On the contrary, this paper features a physically based solution method that starts from the direct consideration of the microscale properties and, in a bottom-up view, recovers a continuum elastic description. This procedure is illustrated for a simple one-dimensional problem of this type, a bar modeled stretched by an axial displacement, where the bar is modeled as a 2D random lattice of decohesive spring elements of finite strength. The (microscale) data from simulations are used to identify the "exact" (macro-) damage parameter and to build up the (macro-) Helmholtz function for the equivalent elastic model, bridging the macroscale approach by Del Piero and Truskinovsky. The elastic approach, coupled with microstructural knowledge, becomes a more powerful tool to reproduce a broad class of macroscopic material responses by changing the convexity-concavity of the Helmholtz energy. The analysis points out that mean-field statistics are appropriate prior to damage localization but max-field statistics are better suited in the softening regime up to failure, where microstrain fluctuation needs to be incorporated in the continuum model. This observation is of consequence to revise mean-field damage models from literature and to calibrate Nth gradient continuum models.

Lithium Self-Discharge and Its Prevention: Direct Visualization through In Situ Electrochemical Scanning Transmission Electron Microscopy

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

Harrison, Katharine L.; Zavadil, Kevin R.; Hahn, Nathan T.

To understand the mechanism that controls low-aspect-ratio lithium deposition morphologies for Li-metal anodes in batteries, we conducted direct visualization of Li-metal deposition and stripping behavior through nanoscale in situ electrochemical scanning transmission electron microscopy (EC-STEM) and macroscale-cell electrochemistry experiments in a recently developed and promising solvate electrolyte, 4 M lithium bis(fluorosulfonyl)imide in 1,2-dimethoxyethane. In contrast to published coin cell studies in the same electrolyte, our experiments revealed low Coulombic efficiencies and inhomogeneous Li morphology during in situ observation. In addition, we conclude that this discrepancy in Coulombic efficiency and morphology of the Li deposits was dependent on the presence ofmore » a compressed lithium separator interface, as we have confirmed through macroscale (not in the transmission electron microscope) electrochemical experiments. Our data suggests that cell compression changed how the solid-electrolyte interphase formed, which is likely responsible for improved morphology and Coulombic efficiency with compression. Furthermore, during the in situ EC-STEM experiments, we observed direct evidence of nanoscale self-discharge in the solvate electrolyte (in the state of electrical isolation). This self-discharge was duplicated in the macroscale, but it was less severe with electrode compression, likely due to a more passivating and corrosion-resistant solid-electrolyte interphase formed in the presence of compression. By combining the solvate electrolyte with a protective LiAl 0.3S coating, we show that the Li nucleation density increased during deposition, leading to improved morphological uniformity. In conclusion, self-discharge was suppressed during rest periods in the cycling profile with coatings present, as evidenced through EC-STEM and confirmed with coin cell data.« less

Analytical and Computational Modeling of Mechanical Waves in Microscale Granular Crystals: Nonlinearity and Rotational Dynamics

NASA Astrophysics Data System (ADS)

Wallen, Samuel P.

Granular media are one of the most common, yet least understood forms of matter on earth. The difficulties in understanding the physics of granular media stem from the fact that they are typically heterogeneous and highly disordered, and the grains interact via nonlinear contact forces. Historically, one approach to reducing these complexities and gaining new insight has been the study of granular crystals, which are ordered arrays of similarly-shaped particles (typically spheres) in Hertzian contact. Using this setting, past works explored the rich nonlinear dynamics stemming from contact forces, and proposed avenues where such granular crystals could form designer, dynamically responsive materials, which yield beneficial functionality in dynamic regimes. In recent years, the combination of self-assembly fabrication methods and laser ultrasonic experimental characterization have enabled the study of granular crystals at microscale. While our intuition may suggest that these microscale granular crystals are simply scaled-down versions of their macroscale counterparts, in fact, the relevant physics change drastically; for example, short-range adhesive forces between particles, which are negligible at macroscale, are several orders of magnitude stronger than gravity at microscale. In this thesis, we present recent advances in analytical and computational modeling of microscale granular crystals, in particular concerning the interplay of nonlinearity, shear interactions, and particle rotations, which have previously been either absent, or included separately at macroscale. Drawing inspiration from past works on phononic crystals and nonlinear lattices, we explore problems involving locally-resonant metamaterials, nonlinear localized modes, amplitude-dependent energy partition, and other rich dynamical phenomena. This work enhances our understanding of microscale granular media, which may find applicability in fields such as ultrasonic wave tailoring, signal processing, shock and vibration mitigation, and powder processing.

Non-equilibrium effects of diatomic and polyatomic gases on the shock-vortex interaction based on the second-order constitutive model of the Boltzmann-Curtiss equation

NASA Astrophysics Data System (ADS)

Singh, S.; Karchani, A.; Myong, R. S.

2018-01-01

The rotational mode of molecules plays a critical role in the behavior of diatomic and polyatomic gases away from equilibrium. In order to investigate the essence of the non-equilibrium effects, the shock-vortex interaction problem was investigated by employing an explicit modal discontinuous Galerkin method. In particular, the first- and second-order constitutive models for diatomic and polyatomic gases derived rigorously from the Boltzmann-Curtiss kinetic equation were solved in conjunction with the physical conservation laws. As compared with a monatomic gas, the non-equilibrium effects result in a substantial change in flow fields in both macroscale and microscale shock-vortex interactions. Specifically, the computational results showed three major effects of diatomic and polyatomic gases on the shock-vortex interaction: (i) the generation of the third sound waves and additional reflected shock waves with strong and enlarged expansion, (ii) the dominance of viscous vorticity generation, and (iii) an increase in enstrophy with increasing bulk viscosity, related to the rotational mode of gas molecules. Moreover, it was shown that there is a significant discrepancy in flow fields between the microscale and macroscale shock-vortex interactions in diatomic and polyatomic gases. The quadrupolar acoustic wave source structures, which are typically observed in macroscale shock-vortex interactions, were not found in any microscale shock-vortex interactions. The physics of the shock-vortex interaction was also investigated in detail to examine vortex deformation and evolution dynamics over an incident shock wave. A comparative study of first- and second-order constitutive models was also conducted for the enstrophy and dissipation rate. Finally, the study was extended to the shock-vortex pair interaction case to examine the effects of pair interaction on vortex deformation and evolution dynamics.

Investigating bias in squared regression structure coefficients

PubMed Central

Nimon, Kim F.; Zientek, Linda R.; Thompson, Bruce

2015-01-01

The importance of structure coefficients and analogs of regression weights for analysis within the general linear model (GLM) has been well-documented. The purpose of this study was to investigate bias in squared structure coefficients in the context of multiple regression and to determine if a formula that had been shown to correct for bias in squared Pearson correlation coefficients and coefficients of determination could be used to correct for bias in squared regression structure coefficients. Using data from a Monte Carlo simulation, this study found that squared regression structure coefficients corrected with Pratt's formula produced less biased estimates and might be more accurate and stable estimates of population squared regression structure coefficients than estimates with no such corrections. While our findings are in line with prior literature that identified multicollinearity as a predictor of bias in squared regression structure coefficients but not coefficients of determination, the findings from this study are unique in that the level of predictive power, number of predictors, and sample size were also observed to contribute bias in squared regression structure coefficients. PMID:26217273

Determination of the True Lateral Grain Size in Organic–Inorganic Halide Perovskite Thin Films

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

MacDonald, Gordon A.; Heveran, Chelsea M.; Yang, Mengjin

Here, methylammonium lead iodide (MAPbI 3) thin films were examined via piezoresponse force microscopy (PFM) and nanoindentation (NI) to determine if long-range atomic order existed across the full width and depth of the apparent grains. And from the PFM, the piezoelectric response of the films was strongly correlated with low-index planes of the crystal structure and ferroelastic domains in macroscale solution-grown MAPbI 3 crystals, which implied long-range order near the top surface. From the NI, it was found that the induced cracks were straight and extended across the full width of the apparent grains, which indicated that the long-range ordermore » was not limited to the near-surface region, but extended through the film thickness. Interestingly, the two MAPbI 3 processes examined resulted in subtle differences in the extracted electro-mechanical and fracture properties, but exhibited similar power conversion efficiencies of >17% in completed devices.« less

Determination of the True Lateral Grain Size in Organic–Inorganic Halide Perovskite Thin Films

DOE PAGES

MacDonald, Gordon A.; Heveran, Chelsea M.; Yang, Mengjin; ...

2017-09-15

Here, methylammonium lead iodide (MAPbI 3) thin films were examined via piezoresponse force microscopy (PFM) and nanoindentation (NI) to determine if long-range atomic order existed across the full width and depth of the apparent grains. And from the PFM, the piezoelectric response of the films was strongly correlated with low-index planes of the crystal structure and ferroelastic domains in macroscale solution-grown MAPbI 3 crystals, which implied long-range order near the top surface. From the NI, it was found that the induced cracks were straight and extended across the full width of the apparent grains, which indicated that the long-range ordermore » was not limited to the near-surface region, but extended through the film thickness. Interestingly, the two MAPbI 3 processes examined resulted in subtle differences in the extracted electro-mechanical and fracture properties, but exhibited similar power conversion efficiencies of >17% in completed devices.« less

Solubility from the Femtoscale to the Macroscale

ERIC Educational Resources Information Center

Pollock, David W.; Truong, Giovanna T.; Bonjour, Jessica L.; Frost, John A.

2018-01-01

Solubility is frequently introduced at the high school and introductory college levels through the symbolic domain using net ionic equations and solubility product constants. Students may become proficient with spectator ion cancellation and skilled with algorithmic mathematical applications of solubility without obtaining a deeper understanding…

Region-specific patterns and drivers of macroscale forest plant invasions

Treesearch

Basil V. Iannone; Christopher M. Oswalt; Andrew M. Liebhold; Qinfeng Guo; Kevin M. Potter; Gabriela C. Nunez-Mir; Sonja N. Oswalt; Bryan C. Pijanowski; Songlin Fei; Bethany Bradley

2015-01-01

Aim Stronger inferences about biological invasions may be obtained when accounting for multiple invasion measures and the spatial heterogeneity occurring across large geographic areas. We pursued this enquiry by utilizing a multimeasure, multiregional framework to investigate forest plant invasions at a subcontinental scale. ...

Drivers of Non-Native Aquatic Species Invasions across the Continental U.S: A Macroscale Assessment

EPA Science Inventory

Background/Question/Methods Mapping the geographic distribution of non-native aquatic species is a critically important precursor to understanding the anthropogenic and environmental factors that drive freshwater biological invasions. Such efforts are often limited to local scale...

Hydrogen effects in corrosion: discussion

NASA Astrophysics Data System (ADS)

Stopher, Miles A.; Simpson, E. Luke

2017-06-01

This session contained talks on the characterization of hydrogen-enhanced corrosion of steels and nickel-based alloys, emphasizing the different observations across length scales, from atomic-scale spectrographic to macro-scale fractographic examinations. This article is part of the themed issue 'The challenges of hydrogen and metals'.

Compression and Instrumented Indentation Measurements on Biomimetic Polymers

DTIC Science & Technology

2006-09-01

styrene- isoprene triblock copolymer gels are tested and compared using both macro-scale and micro-scale measurements. A methodology is presented to...at stress states and strain rates not available to bulk measurement equipment. In this work, a ballistic gelatin and two styrene- isoprene triblock

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

Roehm, Dominic; Pavel, Robert S.; Barros, Kipton

We present an adaptive sampling method supplemented by a distributed database and a prediction method for multiscale simulations using the Heterogeneous Multiscale Method. A finite-volume scheme integrates the macro-scale conservation laws for elastodynamics, which are closed by momentum and energy fluxes evaluated at the micro-scale. In the original approach, molecular dynamics (MD) simulations are launched for every macro-scale volume element. Our adaptive sampling scheme replaces a large fraction of costly micro-scale MD simulations with fast table lookup and prediction. The cloud database Redis provides the plain table lookup, and with locality aware hashing we gather input data for our predictionmore » scheme. For the latter we use kriging, which estimates an unknown value and its uncertainty (error) at a specific location in parameter space by using weighted averages of the neighboring points. We find that our adaptive scheme significantly improves simulation performance by a factor of 2.5 to 25, while retaining high accuracy for various choices of the algorithm parameters.« less

Biomimetics: lessons from nature--an overview.

PubMed

Bhushan, Bharat

2009-04-28

Nature has developed materials, objects and processes that function from the macroscale to the nanoscale. These have gone through evolution over 3.8 Gyr. The emerging field of biomimetics allows one to mimic biology or nature to develop nanomaterials, nanodevices and processes. Properties of biological materials and surfaces result from a complex interplay between surface morphology and physical and chemical properties. Hierarchical structures with dimensions of features ranging from the macroscale to the nanoscale are extremely common in nature to provide properties of interest. Molecular-scale devices, superhydrophobicity, self-cleaning, drag reduction in fluid flow, energy conversion and conservation, high adhesion, reversible adhesion, aerodynamic lift, materials and fibres with high mechanical strength, biological self-assembly, antireflection, structural coloration, thermal insulation, self-healing and sensory-aid mechanisms are some of the examples found in nature that are of commercial interest. This paper provides a broad overview of the various objects and processes of interest found in nature and applications under development or available in the marketplace.

Computer modelling of cyclic deformation of high-temperature materials. Technical progress report, 16 November 1992-15 February 1993

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

Duesbery, M.S.

1993-02-26

This program aims at improving current methods of lifetime assessment by building in the characteristics of the micro-mechanisms known to be responsible for damage and failure. The broad approach entails the integration and, where necessary, augmentation of the micro-scale research results currently available in the literature into a macro-scale model with predictive capability. In more detail, the program will develop a set of hierarchically structured models at different length scales, from atomic to macroscopic, at each level taking as parametric input the results of the model at the next smaller scale. In this way the known microscopic properties can bemore » transported by systematic procedures to the unknown macro-scale region. It may not be possible to eliminate empiricism completely, because some of the quantities involved cannot yet be estimated to the required degree of precision. In this case the aim will be at least to eliminate functional empiricism.« less

Systemic characterization and evaluation of particle packings as initial sets for discrete element simulations

NASA Astrophysics Data System (ADS)

Morfa, Carlos Recarey; Cortés, Lucía Argüelles; Farias, Márcio Muniz de; Morales, Irvin Pablo Pérez; Valera, Roberto Roselló; Oñate, Eugenio

2018-07-01

A methodology that comprises several characterization properties for particle packings is proposed in this paper. The methodology takes into account factors such as dimension and shape of particles, space occupation, homogeneity, connectivity and isotropy, among others. This classification and integration of several properties allows to carry out a characterization process to systemically evaluate the particle packings in order to guarantee the quality of the initial meshes in discrete element simulations, in both the micro- and the macroscales. Several new properties were created, and improvements in existing ones are presented. Properties from other disciplines were adapted to be used in the evaluation of particle systems. The methodology allows to easily characterize media at the level of the microscale (continuous geometries—steels, rocks microstructures, etc., and discrete geometries) and the macroscale. A global, systemic and integral system for characterizing and evaluating particle sets, based on fuzzy logic, is presented. Such system allows researchers to have a unique evaluation criterion based on the aim of their research. Examples of applications are shown.

Directed assembly of bio-inspired hierarchical materials with controlled nanofibrillar architectures

NASA Astrophysics Data System (ADS)

Tseng, Peter; Napier, Bradley; Zhao, Siwei; Mitropoulos, Alexander N.; Applegate, Matthew B.; Marelli, Benedetto; Kaplan, David L.; Omenetto, Fiorenzo G.

2017-05-01

In natural systems, directed self-assembly of structural proteins produces complex, hierarchical materials that exhibit a unique combination of mechanical, chemical and transport properties. This controlled process covers dimensions ranging from the nano- to the macroscale. Such materials are desirable to synthesize integrated and adaptive materials and systems. We describe a bio-inspired process to generate hierarchically defined structures with multiscale morphology by using regenerated silk fibroin. The combination of protein self-assembly and microscale mechanical constraints is used to form oriented, porous nanofibrillar networks within predesigned macroscopic structures. This approach allows us to predefine the mechanical and physical properties of these materials, achieved by the definition of gradients in nano- to macroscale order. We fabricate centimetre-scale material geometries including anchors, cables, lattices and webs, as well as functional materials with structure-dependent strength and anisotropic thermal transport. Finally, multiple three-dimensional geometries and doped nanofibrillar constructs are presented to illustrate the facile integration of synthetic and natural additives to form functional, interactive, hierarchical networks.

Water condensation: a multiscale phenomenon.

PubMed

Jensen, Kasper Risgaard; Fojan, Peter; Jensen, Rasmus Lund; Gurevich, Leonid

2014-02-01

The condensation of water is a phenomenon occurring in multiple situations in everyday life, e.g., when fog is formed or when dew forms on the grass or on windows. This means that this phenomenon plays an important role within the different fields of science including meteorology, building physics, and chemistry. In this review we address condensation models and simulations with the main focus on heterogeneous condensation of water. The condensation process is, at first, described from a thermodynamic viewpoint where the nucleation step is described by the classical nucleation theory. Further, we address the shortcomings of the thermodynamic theory in describing the nucleation and emphasize the importance of nanoscale effects. This leads to the description of condensation from a molecular viewpoint. Also presented is how the nucleation can be simulated by use of molecular models, and how the condensation process is simulated on the macroscale using computational fluid dynamics. Finally, examples of hybrid models combining molecular and macroscale models for the simulation of condensation on a surface are presented.

Systemic characterization and evaluation of particle packings as initial sets for discrete element simulations

NASA Astrophysics Data System (ADS)

Morfa, Carlos Recarey; Cortés, Lucía Argüelles; Farias, Márcio Muniz de; Morales, Irvin Pablo Pérez; Valera, Roberto Roselló; Oñate, Eugenio

2017-10-01

A methodology that comprises several characterization properties for particle packings is proposed in this paper. The methodology takes into account factors such as dimension and shape of particles, space occupation, homogeneity, connectivity and isotropy, among others. This classification and integration of several properties allows to carry out a characterization process to systemically evaluate the particle packings in order to guarantee the quality of the initial meshes in discrete element simulations, in both the micro- and the macroscales. Several new properties were created, and improvements in existing ones are presented. Properties from other disciplines were adapted to be used in the evaluation of particle systems. The methodology allows to easily characterize media at the level of the microscale (continuous geometries—steels, rocks microstructures, etc., and discrete geometries) and the macroscale. A global, systemic and integral system for characterizing and evaluating particle sets, based on fuzzy logic, is presented. Such system allows researchers to have a unique evaluation criterion based on the aim of their research. Examples of applications are shown.

Precision Measurement of Phonon-Polaritonic Near-Field Energy Transfer between Macroscale Planar Structures Under Large Thermal Gradients

NASA Astrophysics Data System (ADS)

Ghashami, Mohammad; Geng, Hongyao; Kim, Taehoon; Iacopino, Nicholas; Cho, Sung Kwon; Park, Keunhan

2018-04-01

Despite its strong potentials in emerging energy applications, near-field thermal radiation between large planar structures has not been fully explored in experiments. Particularly, it is extremely challenging to control a subwavelength gap distance with good parallelism under large thermal gradients. This article reports the precision measurement of near-field radiative energy transfer between two macroscale single-crystalline quartz plates that support surface phonon polaritons. Our measurement scheme allows the precise control of a gap distance down to 200 nm in a highly reproducible manner for a surface area of 5 × 5 mm2 . We have measured near-field thermal radiation as a function of the gap distance for a broad range of thermal gradients up to ˜156 K , observing more than 40 times enhancement of thermal radiation compared to the blackbody limit. By comparing with theoretical prediction based on fluctuational electrodynamics, we demonstrate that such remarkable enhancement is owing to phonon-polaritonic energy transfer across a nanoscale vacuum gap.

Invariant soil water potential at zero microbial respiration explained by hydrological discontinuity in dry soils

DOE PAGES

Manzoni, S.; Katul, G.

2014-09-30

We report that soil microbial respiration rates decrease with soil drying, ceasing below water potentials around -15 MPa. A proposed mechanism for this pattern is that under dry conditions, microbes are substrate limited because solute diffusivity is halted due to breaking of water film continuity. However, pore connectivity estimated from hydraulic conductivity and solute diffusivity (at Darcy's scale) is typically interrupted at much less negative water potentials than microbial respiration (-0.1 to -1 MPa). It is hypothesized here that the more negative respiration thresholds than at the Darcy's scale emerge because microbial activity is restricted to microscale soil patches thatmore » retain some hydrological connectivity even when it is lost at the macroscale. This hypothesis is explored using results from percolation theory and meta-analyses of respiration-water potential curves and hydrological percolation points. Lastly, when reducing the spatial scale from macroscale to microscale, hydrological and respiration thresholds become consistent, supporting the proposed hypothesis.« less

Distributed database kriging for adaptive sampling (D²KAS)

DOE PAGES

Roehm, Dominic; Pavel, Robert S.; Barros, Kipton; ...

2015-03-18

We present an adaptive sampling method supplemented by a distributed database and a prediction method for multiscale simulations using the Heterogeneous Multiscale Method. A finite-volume scheme integrates the macro-scale conservation laws for elastodynamics, which are closed by momentum and energy fluxes evaluated at the micro-scale. In the original approach, molecular dynamics (MD) simulations are launched for every macro-scale volume element. Our adaptive sampling scheme replaces a large fraction of costly micro-scale MD simulations with fast table lookup and prediction. The cloud database Redis provides the plain table lookup, and with locality aware hashing we gather input data for our predictionmore » scheme. For the latter we use kriging, which estimates an unknown value and its uncertainty (error) at a specific location in parameter space by using weighted averages of the neighboring points. We find that our adaptive scheme significantly improves simulation performance by a factor of 2.5 to 25, while retaining high accuracy for various choices of the algorithm parameters.« less

Macrospin dynamics in antiferromagnets triggered by sub-20 femtosecond injection of nanomagnons.

PubMed

Bossini, D; Dal Conte, S; Hashimoto, Y; Secchi, A; Pisarev, R V; Rasing, Th; Cerullo, G; Kimel, A V

2016-02-05

The understanding of how the sub-nanoscale exchange interaction evolves in macroscale correlations and ordered phases of matter, such as magnetism and superconductivity, requires to bridging the quantum and classical worlds. This monumental challenge has so far only been achieved for systems close to their thermodynamical equilibrium. Here we follow in real time the ultrafast dynamics of the macroscale magnetic order parameter in the Heisenberg antiferromagnet KNiF3 triggered by the impulsive optical generation of spin excitations with the shortest possible nanometre wavelength and femtosecond period. Our magneto-optical pump-probe experiments also demonstrate the coherent manipulation of the phase and amplitude of these femtosecond nanomagnons, whose frequencies are defined by the exchange energy. These findings open up opportunities for fundamental research on the role of short-wavelength spin excitations in magnetism and strongly correlated materials; they also suggest that nanospintronics and nanomagnonics can employ coherently controllable spin waves with frequencies in the 20 THz domain.

Macrospin dynamics in antiferromagnets triggered by sub-20 femtosecond injection of nanomagnons

NASA Astrophysics Data System (ADS)

Bossini, D.; Dal Conte, S.; Hashimoto, Y.; Secchi, A.; Pisarev, R. V.; Rasing, Th.; Cerullo, G.; Kimel, A. V.

2016-02-01

The understanding of how the sub-nanoscale exchange interaction evolves in macroscale correlations and ordered phases of matter, such as magnetism and superconductivity, requires to bridging the quantum and classical worlds. This monumental challenge has so far only been achieved for systems close to their thermodynamical equilibrium. Here we follow in real time the ultrafast dynamics of the macroscale magnetic order parameter in the Heisenberg antiferromagnet KNiF3 triggered by the impulsive optical generation of spin excitations with the shortest possible nanometre wavelength and femtosecond period. Our magneto-optical pump-probe experiments also demonstrate the coherent manipulation of the phase and amplitude of these femtosecond nanomagnons, whose frequencies are defined by the exchange energy. These findings open up opportunities for fundamental research on the role of short-wavelength spin excitations in magnetism and strongly correlated materials; they also suggest that nanospintronics and nanomagnonics can employ coherently controllable spin waves with frequencies in the 20 THz domain.

Radiative heat transfer exceeding the blackbody limit between macroscale planar surfaces separated by a nanosize vacuum gap

NASA Astrophysics Data System (ADS)

Bernardi, Michael P.; Milovich, Daniel; Francoeur, Mathieu

2016-09-01

Using Rytov's fluctuational electrodynamics framework, Polder and Van Hove predicted that radiative heat transfer between planar surfaces separated by a vacuum gap smaller than the thermal wavelength exceeds the blackbody limit due to tunnelling of evanescent modes. This finding has led to the conceptualization of systems capitalizing on evanescent modes such as thermophotovoltaic converters and thermal rectifiers. Their development is, however, limited by the lack of devices enabling radiative transfer between macroscale planar surfaces separated by a nanosize vacuum gap. Here we measure radiative heat transfer for large temperature differences (~120 K) using a custom-fabricated device in which the gap separating two 5 × 5 mm2 intrinsic silicon planar surfaces is modulated from 3,500 to 150 nm. A substantial enhancement over the blackbody limit by a factor of 8.4 is reported for a 150-nm-thick gap. Our device paves the way for the establishment of novel evanescent wave-based systems.

An Integrated Computational Materials Engineering Method for Woven Carbon Fiber Composites Preforming Process

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

Zhang, Weizhao; Ren, Huaqing; Wang, Zequn

2016-10-19

An integrated computational materials engineering method is proposed in this paper for analyzing the design and preforming process of woven carbon fiber composites. The goal is to reduce the cost and time needed for the mass production of structural composites. It integrates the simulation methods from the micro-scale to the macro-scale to capture the behavior of the composite material in the preforming process. In this way, the time consuming and high cost physical experiments and prototypes in the development of the manufacturing process can be circumvented. This method contains three parts: the micro-scale representative volume element (RVE) simulation to characterizemore » the material; the metamodeling algorithm to generate the constitutive equations; and the macro-scale preforming simulation to predict the behavior of the composite material during forming. The results show the potential of this approach as a guidance to the design of composite materials and its manufacturing process.« less

The Segmented Aperture Interferometric Nulling Testbed (SAINT) I: Overview and Air-side System Description

NASA Technical Reports Server (NTRS)

Hicks, Brian A.; Lyon, Richard G.; Petrone, Peter, III; Bolcar, Matthew R.; Bolognese, Jeff; Clampin, Mark; Dogoda, Peter; Dworzanski, Daniel; Helmbrecht, Michael A.; Koca, Corina;

Frequency-dependent scaling from mesoscale to macroscale in viscoelastic random composites

PubMed Central

Zhang, Jun

2016-01-01

This paper investigates the scaling from a statistical volume element (SVE; i.e. mesoscale level) to representative volume element (RVE; i.e. macroscale level) of spatially random linear viscoelastic materials, focusing on the quasi-static properties in the frequency domain. Requiring the material statistics to be spatially homogeneous and ergodic, the mesoscale bounds on the RVE response are developed from the Hill–Mandel homogenization condition adapted to viscoelastic materials. The bounds are obtained from two stochastic initial-boundary value problems set up, respectively, under uniform kinematic and traction boundary conditions. The frequency and scale dependencies of mesoscale bounds are obtained through computational mechanics for composites with planar random chessboard microstructures. In general, the frequency-dependent scaling to RVE can be described through a complex-valued scaling function, which generalizes the concept originally developed for linear elastic random composites. This scaling function is shown to apply for all different phase combinations on random chessboards and, essentially, is only a function of the microstructure and mesoscale. PMID:27274689

Engineering Interface Structures and Thermal Stabilities via SPD Processing in Bulk Nanostructured Metals

DOE PAGES

Zheng, Shijian; Carpenter, John S.; McCabe, Rodney J.; ...

2014-02-27

Nanostructured metals achieve extraordinary strength but suffer from low thermal stability, both a consequence of a high fraction of interfaces. Overcoming this tradeoff relies on making the interfaces themselves thermally stable. In this paper, we show that the atomic structures of bi-metal interfaces in macroscale nanomaterials suitable for engineering structures can be significantly altered via changing the severe plastic deformation (SPD) processing pathway. Two types of interfaces are formed, both exhibiting a regular atomic structure and providing for excellent thermal stability, up to more than half the melting temperature of one of the constituents. Most importantly, the thermal stability ofmore » one is found to be significantly better than the other, indicating the exciting potential to control and optimize macroscale robustness via atomic-scale bimetal interface tuning. As a result, we demonstrate an innovative way to engineer pristine bimetal interfaces for a new class of simultaneously strong and thermally stable materials.« less

Determination of Diffusion Coefficients in Cement-Based Materials: An Inverse Problem for the Nernst-Planck and Poisson Models

NASA Astrophysics Data System (ADS)

Szyszkiewicz-Warzecha, Krzysztof; Jasielec, Jerzy J.; Fausek, Janusz; Filipek, Robert

2016-08-01

Transport properties of ions have significant impact on the possibility of rebars corrosion thus the knowledge of a diffusion coefficient is important for reinforced concrete durability. Numerous tests for the determination of diffusion coefficients have been proposed but analysis of some of these tests show that they are too simplistic or even not valid. Hence, more rigorous models to calculate the coefficients should be employed. Here we propose the Nernst-Planck and Poisson equations, which take into account the concentration and electric potential field. Based on this model a special inverse method is presented for determination of a chloride diffusion coefficient. It requires the measurement of concentration profiles or flux on the boundary and solution of the NPP model to define the goal function. Finding the global minimum is equivalent to the determination of diffusion coefficients. Typical examples of the application of the presented method are given.

Estimates of Annual Climatic Water Need in Introductory Geography

ERIC Educational Resources Information Center

Currey, Donald R.

1976-01-01

This paper compares briefly, within the regional context of the western United States, several of the more readily adoptable models that are being used or could be used to provide estimates of annual climatic water need appropriate to macroscale applications in introductory geography courses. (Author)

Visualizing Dispersion Interactions

ERIC Educational Resources Information Center

Gottschalk, Elinor; Venkataraman, Bhawani

2014-01-01

An animation and accompanying activity has been developed to help students visualize how dispersion interactions arise. The animation uses the gecko's ability to walk on vertical surfaces to illustrate how dispersion interactions play a role in macroscale outcomes. Assessment of student learning reveals that students were able to develop…

Synthesis/literature review for determining structural layer coefficients (SLC) of bases.

DOT National Transportation Integrated Search

2014-12-01

FDOTs current method of determining a base material structural layer coefficient (SLC) is detailed in the : Materials Manual, Chapter 2.1, Structural Layer Coefficients for Flexible Pavement Base Materials. : Currently, any new base material not a...

Determination of diffusion coefficients of various livestock antibiotics in water at infinite dilution

NASA Astrophysics Data System (ADS)

Soriano, Allan N.; Adamos, Kristoni G.; Bonifacio, Pauline B.; Adornado, Adonis P.; Bungay, Vergel C.; Vairavan, Rajendaran

2017-11-01

The fate of antibiotics entering the environment raised concerns on the possible effect of antimicrobial resistance bacteria. Prediction of the fate and transport of these particles are needed to be determined, significantly the diffusion coefficient of antibiotic in water at infinite dilution. A systematic determination of diffusion coefficient of antibiotic in water at infinite dilution of five different kinds of livestock antibiotics namely: Amtyl, Ciprotyl, Doxylak Forte, Trisullak, and Vetracin Gold in the 293.15 to 313.15 K temperature range are reported through the use of the method involving the electrolytic conductivity measurements. A continuous stirred tank reactor is utilized to measure the electrolytic conductivities of the considered systems. These conductivities are correlated by using the Nernst-Haskell equation to determine the infinite dilution diffusion coefficient. Determined diffusion coefficients are based on the assumption that in dilute solution, these antibiotics behave as strong electrolyte from which H+ cation dissociate from the antibiotic's anion.

The coupled effects of environmental composition, temperature and contact size-scale on the tribology of molybdenum disulfide

NASA Astrophysics Data System (ADS)

Khare, Harmandeep S.

Liquid lubricants are precluded in an exceedingly large number of consumer as well as extreme applications as a means to reduce friction and wear at the sliding interface of two bodies. The extraterrestrial environment is one such example of an extreme environment which has motivated the development of advanced solid lubricant materials. Mechanical systems for space require fabrication, assembly, transportation and testing on earth before launch and deployment. Solid lubricants for space are expected to not only operate efficiently in the hard vacuum of space but also withstand interactions with moisture or oxygen during the terrestrial storage, transportation and assembly prior to deployment and launch. Molybdenum disulfide (MoS2) is considered the gold standard in solid lubricants for space due to its excellent tribological properties in ultra-high vacuum. However in the presence of environmental species such as water and oxygen or at elevated temperatures, the lubricity and endurance of MoS2 is severely limited. Past studies have offered several hypotheses for the breakdown of lubrication of MoS2 under the influence of water and oxygen, although exact mechanisms remain unknown. Furthermore, it is unclear if temperature acts as a driver solely for oxidation or for thermally activated slip and thermally activated desorption as well. The answers to these questions are of fundamental importance to improving the reliability of existing MoS2-based solid lubricants for space, as well as for guiding the design of advanced lamellar solid lubricant coatings. This dissertation aims to elucidate: (1) the role of water on MoS2 oxidation, (2) the role of water on MoS2 friction, (3) the role of oxygen on MoS2 friction, (4) the contribution of thermal activation to ambient-temperature friction, and (5) effects of length-scale. The results of this study showed that water does not cause oxidation of MoS2. Water increases ambient-temperature friction of MoS2 directly through a combination of both surface adsorption and diffusion into the coating subsurface. Thermally activated desiccation effectively dries the bulk of the coating, yielding low values of friction coefficient even at ambient humidity and temperature. Friction of MoS2 decreases with increasing temperature between 25°C and 100°C in the presence of environmental water and increases in the presence of oxygen alone. At temperatures greater than 100°C, friction generally increases with temperature only in the presence of environmental oxygen; at these elevated temperatures, friction decreases with increasing humidity. The transition from room-temperature increase to elevated-temperature decrease in friction with increasing humidity is found to be a strong function of the contact history as well as coating microstructure. Lastly, the contribution of nanoscale tribofilms to macroscale friction was studied through nanotribometry. Friction measured on the worn MoS2 coating with a nano-scale AFM probe showed direct and quantifiable evidence of sliding-induced surface modification of MoS2; friction measured on the perfectly ordered single crystal MoS2 was nearly an order of magnitude lower than friction on worn MoS2. Although friction coefficients measured with a nanoscale probe showed high surface sensitivity, micron-sized AFM probes gave friction coefficients similar to those obtained in the macroscale, suggesting the formation of surface films in-situ during sliding with the colloidal probe. A reduction in friction is observed after annealing for both the nanoscale and microscale probes, suggesting a strong overriding effect of the desiccated bulk over surface adsorption in driving the friction response at these length-scales.

Drag coefficients for modeling flow through emergent vegetation in the Florida Everglades

USGS Publications Warehouse

Lee, J.K.; Roig, L.C.; Jenter, H.L.; Visser, H.M.

2004-01-01

Hydraulic data collected in a flume fitted with pans of sawgrass were analyzed to determine the vertically averaged drag coefficient as a function of vegetation characteristics. The drag coefficient is required for modeling flow through emergent vegetation at low Reynolds numbers in the Florida Everglades. Parameters of the vegetation, such as the stem population per unit bed area and the average stem/leaf width, were measured for five fixed vegetation layers. The vertically averaged vegetation parameters for each experiment were then computed by weighted average over the submerged portion of the vegetation. Only laminar flow through emergent vegetation was considered, because this is the dominant flow regime of the inland Everglades. A functional form for the vegetation drag coefficient was determined by linear regression of the logarithmic transforms of measured resistance force and Reynolds number. The coefficients of the drag coefficient function were then determined for the Everglades, using extensive flow and vegetation measurements taken in the field. The Everglades data show that the stem spacing and the Reynolds number are important parameters for the determination of vegetation drag coefficient. ?? 2004 Elsevier B.V. All rights reserved.

Simultaneous detection of multiple adulterants in dry milk using macro-scale Raman chemical imaging

USDA-ARS?s Scientific Manuscript database

The potential of Raman chemical imaging for simultaneously detecting multiple adulterants in milk powder was investigated. Potential chemical adulterants, including ammonium sulfate, dicyandiamide, melamine, and urea, were mixed together into skim dry milk in the concentration range of 0.1–5.0% for ...

A subcontinental view of forest plant invasions

Treesearch

Christopher M. Oswalt; Songlin Fei; Qinfeng Guo; Basil V. Iannone III; Sonja N. Oswalt; Bryan C. Pijanowski; Kevin M. Potter

2015-01-01

Over the last few decades, considerable attention has focused on small-scale studies of invasive plants and invaded systems. Unfortunately, small scale studies rarely provide comprehensive insight into the complexities of biological invasions at macroscales. Systematic and repeated monitoring of biological invasions at broad scales are rare. In this report, we...

SUMMARY OF TECHNIQUES AND UNIQUE USES FOR DIRECT PUSH METHODS IN SITE CHARACTERIZATION ON CONTAMINATED FIELD SITES

EPA Science Inventory

Site characterization of subsurface contaminant transport is often hampered by a lack of knowledge of site heterogeneity and temporal variations in hydrogeochemistry. Two case studies are reviewed to illustrate the utility of macro-scale mapping information along with spatially-...

Measuring dynamic oil film coefficients of sliding bearing

NASA Technical Reports Server (NTRS)

Feng, G.; Tang, X.

1985-01-01

A method is presented for determining the dynamic coefficients of bearing oil film. By varying the support stiffness and damping, eight dynamic coefficients of the bearing were determined. Simple and easy to apply, the method can be used in solving practical machine problems.

An experimental approach to determine the heat transfer coefficient in directional solidification furnaces

NASA Technical Reports Server (NTRS)

Banan, Mohsen; Gray, Ross T.; Wilcox, William R.

1992-01-01

The heat transfer coefficient between a molten charge and its surroundings in a Bridgman furnace was experimentally determined using in-situ temperature measurement. The ampoule containing an isothermal melt was suddenly moved from a higher temperature zone to a lower temperature zone. The temperature-time history was used in a lumped-capacity cooling model to evaluate the heat transfer coefficient between the charge and the furnace. The experimentally determined heat transfer coefficient was of the same order of magnitude as the theoretical value estimated by standard heat transfer calculations.

CFD simulation of simultaneous monotonic cooling and surface heat transfer coefficient

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

Mihálka, Peter, E-mail: usarmipe@savba.sk; Matiašovský, Peter, E-mail: usarmat@savba.sk

The monotonic heating regime method for determination of thermal diffusivity is based on the analysis of an unsteady-state (stabilised) thermal process characterised by an independence of the space-time temperature distribution on initial conditions. At the first kind of the monotonic regime a sample of simple geometry is heated / cooled at constant ambient temperature. The determination of thermal diffusivity requires the determination rate of a temperature change and simultaneous determination of the first eigenvalue. According to a characteristic equation the first eigenvalue is a function of the Biot number defined by a surface heat transfer coefficient and thermal conductivity ofmore » an analysed material. Knowing the surface heat transfer coefficient and the first eigenvalue the thermal conductivity can be determined. The surface heat transport coefficient during the monotonic regime can be determined by the continuous measurement of long-wave radiation heat flow and the photoelectric measurement of the air refractive index gradient in a boundary layer. CFD simulation of the cooling process was carried out to analyse local convective and radiative heat transfer coefficients more in detail. Influence of ambient air flow was analysed. The obtained eigenvalues and corresponding surface heat transfer coefficient values enable to determine thermal conductivity of the analysed specimen together with its thermal diffusivity during a monotonic heating regime.« less

Biomarker Analysis of Samples Visually Identified as Microbial in the Eocene Green River Formation: An Analogue for Mars.

PubMed

Olcott Marshall, Alison; Cestari, Nicholas A

2015-09-01

One of the major exploration targets for current and future Mars missions are lithofacies suggestive of biotic activity. Although such lithofacies are not confirmation of biotic activity, they provide a way to identify samples for further analyses. To test the efficacy of this approach, we identified carbonate samples from the Eocene Green River Formation as "microbial" or "non-microbial" based on the macroscale morphology of their laminations. These samples were then crushed and analyzed by gas chromatography/mass spectroscopy (GC/MS) to determine their lipid biomarker composition. GC/MS analysis revealed that carbonates visually identified as "microbial" contained a higher concentration of more diverse biomarkers than those identified as "non-microbial," suggesting that this could be a viable detection strategy for selecting samples for further analysis or caching on Mars.

Extracting, Tracking, and Visualizing Magnetic Flux Vortices in 3D Complex-Valued Superconductor Simulation Data.

PubMed

Guo, Hanqi; Phillips, Carolyn L; Peterka, Tom; Karpeyev, Dmitry; Glatz, Andreas

2016-01-01

We propose a method for the vortex extraction and tracking of superconducting magnetic flux vortices for both structured and unstructured mesh data. In the Ginzburg-Landau theory, magnetic flux vortices are well-defined features in a complex-valued order parameter field, and their dynamics determine electromagnetic properties in type-II superconductors. Our method represents each vortex line (a 1D curve embedded in 3D space) as a connected graph extracted from the discretized field in both space and time. For a time-varying discrete dataset, our vortex extraction and tracking method is as accurate as the data discretization. We then apply 3D visualization and 2D event diagrams to the extraction and tracking results to help scientists understand vortex dynamics and macroscale superconductor behavior in greater detail than previously possible.

Forces between functionalized silica nanoparticles in solution

NASA Astrophysics Data System (ADS)

Lane, J. Matthew D.; Ismail, Ahmed E.; Chandross, Michael; Lorenz, Christian D.; Grest, Gary S.

2009-05-01

To prevent the flocculation and phase separation of nanoparticles in solution, nanoparticles are often functionalized with short chain surfactants. Here we present fully atomistic molecular dynamics simulations which characterize how these functional coatings affect the interactions between nanoparticles and with the surrounding solvent. For 5-nm-diameter silica nanoparticles coated with poly(ethylene oxide) (PEO) oligomers in water, we determined the hydrodynamic drag on two approaching nanoparticles moving through solvent and on a single nanoparticle as it approaches a planar surface. In most circumstances, macroscale fluid theory accurately predicts the drag on these nanoscale particles. Good agreement is seen with Brenner’s analytical solutions for wall separations larger than the soft nanoparticle radius. For two approaching coated nanoparticles, the solvent-mediated (velocity independent) and lubrication (velocity-dependent) forces are purely repulsive and do not exhibit force oscillations that are typical of uncoated rigid spheres.

Simultaneous Rapid Determination of the Solubility and Diffusion Coefficients of a Poorly Water-Soluble Drug Based on a Novel UV Imaging System.

PubMed

Lu, Yan; Li, Mingzhong

2016-01-01

The solubility and diffusion coefficient are two of the most important physicochemical properties of a drug compound. In practice, both have been measured separately, which is time consuming. This work utilizes a novel technique of UV imaging to determine the solubility and diffusion coefficients of poorly water-soluble drugs simultaneously. A 2-step optimal method is proposed to determine the solubility and diffusion coefficients of a poorly water-soluble pharmaceutical substance based on the Fick's second law of diffusion and UV imaging measurements. Experimental results demonstrate that the proposed method can be used to determine the solubility and diffusion coefficients of a drug with reasonable accuracy, indicating that UV imaging may provide a new opportunity to accurately measure the solubility and diffusion coefficients of a poorly water-soluble drug simultaneously and rapidly. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Modeling the investment casting of a titanium crown.

PubMed

Atwood, R C; Lee, P D; Curtis, R V; Maijer, D M

2007-01-01

The objective of this study was to apply computational modeling tools to assist in the design of titanium dental castings. The tools developed should incorporate state-of-the-art micromodels to predict the depth to which the mechanical properties of the crown are affected by contamination from the mold. The model should also be validated by comparison of macro- and micro-defects found in a typical investment cast titanium tooth crown. Crowns were hand-waxed and investment cast in commercial purity grade 1 (CP-1) titanium by a commercial dental laboratory. The castings were analyzed using X-ray microtomography (XMT). Following sectioning, analysis continued with optical and scanning electron microscopy, and microhardness testing. An in-house cellular-automata solidification and finite-difference diffusion program was coupled with a commercial casting program to model the investment casting process. A three-dimensional (3D) digital image generated by X-ray tomography was used to generate an accurate geometric representation of a molar crown casting. Previously reported work was significantly expanded upon by including transport of dissolved oxygen and impurity sources upon the arbitrarily shaped surface of the crown, and improved coupling of micro- and macro-scale simulations. Macroscale modeling was found to be sufficient to accurately predict the location of the large internal porosity. These are shrinkage pores located in the thick sections of the cusp. The model was used to determine the influence of sprue design on the size and location of these pores. Combining microscale with macroscale modeling allowed the microstructure and depth of contamination to be predicted qualitatively. This combined model predicted a surprising result--the dissolution of silicon from the mold into the molten titanium is sufficient to depress the freezing point of the liquid metal such that the crown solidifies the subsurface. Solidification then progresses inwards and back out to the surface through the silicon-enriched near-surface layer. The microstructure and compositional analysis of the near-surface region are consistent with this prediction. A multiscale model was developed and validated, which can be used to design CP-Ti dental castings to minimize both macro- and micro-defects, including shrinkage porosity, grain size and the extent of surface contamination due to reaction with the mold material. The model predicted the surprising result that the extent of Si contamination from the mold was sufficient to suppress the liquidus temperature to the extent that the surface (to a depth of approximately 100 microm) of the casting solidifies after the bulk. This significantly increases the oxygen pickup, thereby increasing the depth of formation of alpha casing. The trend towards mold materials with reduced Si in order to produce easier-to-finish titanium castings is a correct approach.

Noninvasive photoacoustic measurement of absorption coefficient using internal light irradiation of cylindrical diffusing fiber

NASA Astrophysics Data System (ADS)

Peng, Dong-qing; Zhu, Li-li; Li, Zhi-fang; Li, Hui

2017-09-01

Absorption coefficient of biological tissue is an important parameter in biomedicine, but its determination remains a challenge. In this paper, we propose a method using focusing photoacoustic imaging technique and internal light irradiation of cylindrical diffusing fiber (CDF) to quantify the target optical absorption coefficient. Absorption coefficients for ink absorbers are firstly determined through photoacoustic and spectrophotometric measurements at the same excitation, which demonstrates the feasibility of this method. Also, the optical absorption coefficients of ink absorbers with several concentrations are measured. Finally, the two-dimensional scanning photoacoustic image is obtained. Optical absorption coefficient measurement and simultaneous photoacoustic imaging of absorber non-invasively are the typical characteristics of the method. This method can play a significant role for non-invasive determination of blood oxygen saturation, the absorption-based imaging and therapy.

Gas-film coefficients for streams

USGS Publications Warehouse

Rathbun, R.E.; Tai, D.Y.

1983-01-01

Equations for predicting the gas-film coefficient for the volatilization of organic solutes from streams are developed. The film coefficient is a function of windspeed and water temperature. The dependence of the coefficient on windspeed is determined from published information on the evaporation of water from a canal. The dependence of the coefficient on temperature is determined from laboratory studies on the evaporation of water. Procedures for adjusting the coefficients for different organic solutes are based on the molecular diffusion coefficient and the molecular weight. The molecular weight procedure is easiest to use because of the availability of molecular weights. However, the theoretical basis of the procedure is questionable. The diffusion coefficient procedure is supported by considerable data. Questions, however, remain regarding the exact dependence of the film coefficint on the diffusion coefficient. It is suggested that the diffusion coefficient procedure with a 0.68-power dependence be used when precise estimate of the gas-film coefficient are needed and that the molecular weight procedure be used when only approximate estimates are needed.

Determination of unknown coefficient in a non-linear elliptic problem related to the elastoplastic torsion of a bar

NASA Astrophysics Data System (ADS)

Hasanov, Alemdar; Erdem, Arzu

2008-08-01

The inverse problem of determining the unknown coefficient of the non-linear differential equation of torsional creep is studied. The unknown coefficient g = g({xi}2) depends on the gradient{xi} : = |{nabla}u| of the solution u(x), x [isin] {Omega} [sub] Rn, of the direct problem. It is proved that this gradient is bounded in C-norm. This permits one to choose the natural class of admissible coefficients for the considered inverse problem. The continuity in the norm of the Sobolev space H1({Omega}) of the solution u(x;g) of the direct problem with respect to the unknown coefficient g = g({xi}2) is obtained in the following sense: ||u(x;g) - u(x;gm)||1 [->] 0 when gm({eta}) [->] g({eta}) point-wise as m [->] {infty}. Based on these results, the existence of a quasi-solution of the inverse problem in the considered class of admissible coefficients is obtained. Numerical examples related to determination of the unknown coefficient are presented.

Chromatographic determination of the diffusion coefficients of light hydrocarbons in polymers

NASA Astrophysics Data System (ADS)

Yakubenko, E. E.; Korolev, A. A.; Chapala, P. P.; Bermeshev, M. V.; Kanat'eva, A. Yu.; Kurganov, A. A.

2017-01-01

Gas-chromatographic determination of the diffusion coefficients that allows for the compressibility of the mobile phase has been suggested. The diffusion coefficients were determined for light hydrocarbons C1-C4 in four polymers with a high free volume, which are candidates for use as gas-separating membranes. The diffusion coefficients calculated from chromatographic data were shown to be one or two orders of magnitude smaller than the values obtained by the membrane method. This may be due to the presence of an additional flow through the membrane caused by the pressure gradient across the membrane in membrane methods.

Determination of rolling resistance coefficient based on normal tyre stiffness

NASA Astrophysics Data System (ADS)

Rykov, S. P.; Tarasuyk, V. N.; Koval, V. S.; Ovchinnikova, N. I.; Fedotov, A. I.; Fedotov, K. V.

2018-03-01

The purpose of the article is to develop analytical dependence of wheel rolling resistance coefficient based on the mathematical description of normal tyre stiffness. The article uses the methods of non-holonomic mechanics and plane section methods. The article shows that the abscissa of gravity center of tyre stiffness expansion by the length of the contact area is the shift of normal road response. It can be used for determining rolling resistance coefficient. When determining rolling resistance coefficient using ellipsis and power function equations, one can reduce labor costs for testing and increase assessment accuracy.

Nanodroplets Impact on Rough Surfaces: A Simulation and Theoretical Study.

PubMed

Gao, Shan; Liao, Quanwen; Liu, Wei; Liu, Zhichun

2018-05-22

Impact of droplets is widespread in life, and modulating the dynamics of impinging droplets is a significant problem in production. However, on textured surfaces, the micromorphologic change and mechanism of impinging nanodroplets are not well-understood; furthermore, the accuracy of the theoretical model for nanodroplets needs to be improved. Here, considering the great challenge of conducting experiments on nanodroplets, a molecular dynamics simulation is performed to visualize the impact process of nanodroplets on nanopillar surfaces. Compared with macroscale droplets, apart from the similar relation of restitution coefficient with the Weber number, we found some distinctive results: the maximum spreading time is described as a power law of impact velocity, and the relation of maximum spreading factor with impact velocity or the Reynolds number is exponential. Moreover, the roughness of substrates plays a prominent role in the dynamics of impact nanodroplets, and on surfaces with lower solid fraction, the lower attraction force induces an easier rebound of impact nanodroplets. At last, on the basis of the energy balance, through modifying the estimation of viscous dissipation and surface energy terms, we proposed an improved model for the maximum spreading factor, which shows greater accuracy for nanodroplets, especially in the low-to-moderate velocity range. The outcome of this study demonstrates that a distinctive dynamical behavior of impinging nanodroplets, the fundamental insight, and more accurate prediction are very useful in the improvement of the hydrodynamic behavior of the nanodroplets.

Sunlight-driven eco-friendly smart curtain based on infrared responsive graphene oxide-polymer photoactuators.

PubMed

Leeladhar; Raturi, Parul; Singh, J P

2018-02-27

Photomechanical actuation is the conversion of light energy into mechanical energy through some smart materials. Infrared-responsive smart materials have become an emerging field of research due to easy availability and eco-friendly nature of their stimulus in the form of sunlight, which contains about 50% of near-infrared(nIR) making these materials useful at macro-scale photoactuator applications. Here, we demonstrate fabrication of highly versatile nIR triggered photoactuators based on graphene oxide/polycarbonate bilayers that offers fast, low-cost fabrication, large deflection, reversible actuation and wavelength-selective response. The photoactuators are realized by vacuum filtration of graphene oxide/water dispersion through polycarbonate membrane resulting graphene oxide/polymer bilayer structure. The photoactuation response was measured in the form of deflection from equilibrium position as a result of infrared-irradiation. The deflection is caused by the generated thermal stress at the interface of bilayers due to mismatch of thermal expansion coefficient as a results of nIR absorption by graphene oxide and subsequent temperature rise. A maximum deflection of 12 mm (circular-shaped structure with diameter 28 mm) with corresponding bending curvature of 0.33 cm -1 was shown by this photoactuator for illumination intensity of 106 mW/cm 2 . Few applications of these photoactuators such as sunlight-driven smart curtain, infrared actuated curtain and self-folding box are also demonstrated.

Nanotechnology: The Stuff of Science Fiction or Science Fact?

ERIC Educational Resources Information Center

Aston, Diane

2011-01-01

This article discusses nanotechnology as a route to the production of new materials and provides a brief history of the evolution of this branch of materials science. Properties on the nanoscale are compared with those on the macroscale. The practical application of nanomaterials in industries such as communications, construction, cosmetics,…

Visualization and Interactivity in the Teaching of Chemistry to Science and Non-Science Students

ERIC Educational Resources Information Center

Venkataraman, Bhawani

2009-01-01

A series of interactive, instructional units have been developed that integrate computational molecular modelling and visualization to teach fundamental chemistry concepts and the relationship between the molecular and macro-scales. The units span the scale from atoms, small molecules to macromolecular systems, and introduce many of the concepts…

The Analog Atomic Force Microscope: Measuring, Modeling, and Graphing for Middle School

ERIC Educational Resources Information Center

Goss, Valerie; Brandt, Sharon; Lieberman, Marya

2013-01-01

using an analog atomic force microscope (A-AFM) made from a cardboard box and mailing tubes. Varying numbers of ping pong balls inside the tubes mimic atoms on a surface. Students use a dowel to make macroscale measurements similar to those of a nanoscale AFM tip as it…

Surface and subsurface inspection of food safety and quality using a line-scan Raman system

USDA-ARS?s Scientific Manuscript database

This paper presents a line-scan Raman platform for food safety and quality research, which can be configured for Raman chemical imaging (RCI) mode for surface inspection and spatially offset Raman spectroscopy (SORS) mode for subsurface inspection. In the RCI mode, macro-scale imaging was achieved u...

Microhabitats in the tropics buffer temperature in a globally coherent manner

PubMed Central

Scheffers, Brett R.; Evans, Theodore A.; Williams, Stephen E.; Edwards, David P.

2014-01-01

Vegetated habitats contain a variety of fine-scale features that can ameliorate temperate extremes. These buffered microhabitats may be used by species to evade extreme weather and novel climates in the future. Yet, the magnitude and extent of this buffering on a global scale remains unknown. Across all tropical continents and using 36 published studies, we assessed temperature buffering from within microhabitats across various habitat strata and structures (e.g. soil, logs, epiphytes and tree holes) and compared them to non-buffered macro-scale ambient temperatures (the thermal control). Microhabitats buffered temperature by 3.9°C and reduced maximum temperatures by 3.5°C. Buffering was most pronounced in tropical lowlands where temperatures were most variable. With the expected increase in extreme weather events, microhabitats should provide species with a local layer of protection that is not captured by traditional climate assessments, which are typically derived from macro-scale temperatures (e.g. satellites). Our data illustrate the need for a next generation of predictive models that account for species' ability to move within microhabitats to exploit favourable buffered microclimates. PMID:25540160

General predictive model of friction behavior regimes for metal contacts based on the formation stability and evolution of nanocrystalline surface films.

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

Argibay, Nicolas; Cheng, Shengfeng; Sawyer, W. G.

2015-09-01

The prediction of macro-scale friction and wear behavior based on first principles and material properties has remained an elusive but highly desirable target for tribologists and material scientists alike. Stochastic processes (e.g. wear), statistically described parameters (e.g. surface topography) and their evolution tend to defeat attempts to establish practical general correlations between fundamental nanoscale processes and macro-scale behaviors. We present a model based on microstructural stability and evolution for the prediction of metal friction regimes, founded on recently established microstructural deformation mechanisms of nanocrystalline metals, that relies exclusively on material properties and contact stress models. We show through complementary experimentalmore » and simulation results that this model overcomes longstanding practical challenges and successfully makes accurate and consistent predictions of friction transitions for a wide range of contact conditions. This framework not only challenges the assumptions of conventional causal relationships between hardness and friction, and between friction and wear, but also suggests a pathway for the design of higher performance metal alloys.« less

Meso-scopic Densification in Brittle Granular Materials

NASA Astrophysics Data System (ADS)

Neal, William; Appleby-Thomas, Gareth; Collins, Gareth

2013-06-01

Particulate materials are ideally suited to shock absorbing applications due to the large amounts of energy required to deform their inherently complex meso-structure. Significant effort is being made to improve macro-scale material models to represent these atypical materials. On the long road towards achieving this capability, an important milestone would be to understand how particle densification mechanisms are affected by loading rate. In brittle particulate materials, the majority of densification is caused by particle fracture. Macro-scale quasi-static and dynamic compaction curves have been measured that show good qualitative agreement. There are, however, some differences that appear to be dependent on the loading rate that require further investigation. This study aims to investigate the difference in grain-fracture behavior between the quasi-static and shock loading response of brittle glass microsphere beds using a combination of quasi-static and dynamic loading techniques. Results from pressure-density measurements, sample recovery, and meso-scale hydrocode models (iSALE, an in-house simulation package) are discussed to explain the differences in particle densification mechanisms between the two loading rate regimes. Gratefully funded by AWE.plc.

Probing Dynamics in Granular Media of Contrasting Geometries via X-Ray Phase Contrast Imaging and PDV

NASA Astrophysics Data System (ADS)

Crum, Ryan; Pagan, Darren; Lind, Jon; Homel, Michael; Hurley, Ryan; Herbold, Eric; Akin, Minta

Granular systems are ubiquitous in our everyday world and play a central role in many dynamic scientific problems including mine blasting, projectile penetration, astrophysical collisions, explosions, and dynamic compaction. An understanding of granular media's behavior under various loading conditions is an ongoing scientific grand challenge. This is partly due to the intricate interplay between material properties, loading conditions, grain geometry, and grain connectivity. Previous dynamic studies in granular media predominantly utilize the macro-scale analyses VISAR or PDV, diagnostics that are not sensitive to the many degrees of freedom and their interactions, focusing instead on their aggregate effect. Results of a macro-scale analysis leave the principal interactions of these degrees of freedom too entangled to elucidate. To isolate the significance of grain geometry, this study probes various geometries of granular media subjected to gas gun generated waves via in-situ X-ray analysis. Analyses include evaluating displacement fields, grain fracture, inter- and intra-granular densification, and wave front motion. Phase Contrast Imaging (PCI) and PDV analyses feed directly into our concurrent meso-scale granular media modeling efforts to enhance our predictive capabilities.

Precision Measurement of Phonon-Polaritonic Near-Field Energy Transfer between Macroscale Planar Structures Under Large Thermal Gradients.

PubMed

Ghashami, Mohammad; Geng, Hongyao; Kim, Taehoon; Iacopino, Nicholas; Cho, Sung Kwon; Park, Keunhan

2018-04-27

Despite its strong potentials in emerging energy applications, near-field thermal radiation between large planar structures has not been fully explored in experiments. Particularly, it is extremely challenging to control a subwavelength gap distance with good parallelism under large thermal gradients. This article reports the precision measurement of near-field radiative energy transfer between two macroscale single-crystalline quartz plates that support surface phonon polaritons. Our measurement scheme allows the precise control of a gap distance down to 200 nm in a highly reproducible manner for a surface area of 5×5  mm^{2}. We have measured near-field thermal radiation as a function of the gap distance for a broad range of thermal gradients up to ∼156  K, observing more than 40 times enhancement of thermal radiation compared to the blackbody limit. By comparing with theoretical prediction based on fluctuational electrodynamics, we demonstrate that such remarkable enhancement is owing to phonon-polaritonic energy transfer across a nanoscale vacuum gap.

Results of the US contribution to the joint US/USSR Bering Sea experiment. [atmospheric circulation and sea ice cover

NASA Technical Reports Server (NTRS)

Campbell, W. J.; Chang, T. C.; Fowler, M. G.; Gloersen, P.; Kuhn, P. M.; Ramseier, R. O.; Ross, D. B.; Stambach, G.; Webster, W. J., Jr.; Wilheit, T. T.

1974-01-01

The atmospheric circulation which occurred during the Bering Sea Experiment, 15 February to 10 March 1973, in and around the experiment area is analyzed and related to the macroscale morphology and dynamics of the sea ice cover. The ice cover was very complex in structure, being made up of five ice types, and underwent strong dynamic activity. Synoptic analyses show that an optimum variety of weather situations occurred during the experiment: an initial strong anticyclonic period (6 days), followed by a period of strong cyclonic activity (6 days), followed by weak anticyclonic activity (3 days), and finally a period of weak cyclonic activity (4 days). The data of the mesoscale test areas observed on the four sea ice option flights, and ship weather, and drift data give a detailed description of mesoscale ice dynamics which correlates well with the macroscale view: anticyclonic activity advects the ice southward with strong ice divergence and a regular lead and polynya pattern; cyclonic activity advects the ice northward with ice convergence, or slight divergence, and a random lead and polynya pattern.

Flow Field Measurements of Methane-Oxygen Turbulent Nonpremixed Flames at High Pressure

NASA Astrophysics Data System (ADS)

Iino, Kimio; Kikkawa, Hoshitaka; Akamatsu, Fumiteru; Katsuki, Masashi

We carried out the flow field measurement of methane-oxygen turbulent nonpremixed flame in non-combusting and combusting situations at high pressures using LDV. The main objectives are to study the influences of combustion on the turbulence structure at high pressures and to provide detailed data on which numerical predictions on such flows can rely. Direct observation and CH* chemiluminescence detection are conducted at high pressures up to 1.0MPa. It was found that the flame length at elevated pressures became constant. From flow field measurements, the following features of flames at elevated pressure were found: (1) the existence of flame suppressed turbulence in the upstream region of the jet and enhanced it in the downstream region with increasing pressure; (2) Turbulence in the flame was more anisotropic than in the corresponding cold jet in all regions of the flow with increasing pressure; (3) Reynolds shear stresses did not change at elevated pressure; (4) Combustion processes had a marked influence on the turbulence macroscale under high pressures, however, the turbulence macroscale was not changed even with the increase in pressure.

An new MHD/kinetic model for exploring energetic particle production in macro-scale systems

NASA Astrophysics Data System (ADS)

Drake, J. F.; Swisdak, M.; Dahlin, J. T.

2017-12-01

A novel MHD/kinetic model is being developed to explore magneticreconnection and particle energization in macro-scale systems such asthe solar corona and the outer heliosphere. The model blends the MHDdescription with a macro-particle description. The rationale for thismodel is based on the recent discovery that energetic particleproduction during magnetic reconnection is controlled by Fermireflection and Betatron acceleration and not parallel electricfields. Since the former mechanisms are not dependent on kineticscales such as the Debye length and the electron and ion inertialscales, a model that sheds these scales is sufficient for describingparticle acceleration in macro-systems. Our MHD/kinetic model includesmacroparticles laid out on an MHD grid that are evolved with the MHDfields. Crucially, the feedback of the energetic component on the MHDfluid is included in the dynamics. Thus, energy of the total system,the MHD fluid plus the energetic component, is conserved. The systemhas no kinetic scales and therefore can be implemented to modelenergetic particle production in macro-systems with none of theconstraints associated with a PIC model. Tests of the new model insimple geometries will be presented and potential applications will bediscussed.

Harvesting liquid from unsaturated vapor - nanoflows induced by capillary condensation

NASA Astrophysics Data System (ADS)

Vincent, Olivier; Marguet, Bastien; Stroock, Abraham

2016-11-01

A vapor, even subsaturated, can spontaneously form liquid in nanoscale spaces. This process, known as capillary condensation, plays a fundamental role in various contexts, such as the formation of clouds or the dynamics of hydrocarbons in the geological subsurface. However, large uncertainties remain on the thermodynamics and fluid mechanics of the phenomenon, due to experimental challenges as well as outstanding questions about the validity of macroscale physics at the nanometer scale. We studied experimentally the spatio-temporal dynamics of water condensation in a model nanoporous medium (pore radius 2 nm), taking advantage of the color change of the material upon hydration. We found that at low relative humidities (< 60 % RH), capillary condensation progressed in a diffusive fashion, while it occurred through a well-defined capillary-viscous imbibition front at > 60 % RH, driven by a balance between the pore capillary pressure and the condensation stress given by Kelvin equation. Further analyzing the imbibition dynamics as a function of saturation allowed us to extract detailed information about the physics of nano-confined fluids. Our results suggest excellent extension of macroscale fluid dynamics and thermodynamics even in pores 10 molecules in diameter.

Micro- to macroscale perspectives on space plasmas

NASA Technical Reports Server (NTRS)

Eastman, Timothy E.

1993-01-01

The Earth's magnetosphere is the most accessible of natural collisionless plasma environments; an astrophysical plasma 'laboratory'. Magnetospheric physics has been in an exploration phase since its origin 35 years ago but new coordinated, multipoint observations, theory, modeling, and simulations are moving this highly interdisciplinary field of plasma science into a new phase of synthesis and understanding. Plasma systems are ones in which binary collisions are relatively negligible and collective behavior beyond the microscale emerges. Most readily accessible natural plasma systems are collisional and nearest-neighbor classical interactions compete with longer-range plasma effects. Except for stars, most space plasmas are collisionless, however, and the effects of electrodynamic coupling dominate. Basic physical processes in such collisionless plasmas occur at micro-, meso-, and macroscales that are not merely reducible to each other in certain crucial ways as illustrated for the global coupling of the Earth's magnetosphere and for the nonlinear dynamics of charged particle motion in the magnetotail. Such global coupling and coherence makes the geospace environment, the domain of solar-terrestrial science, the most highly coupled of all physical geospheres.

A concurrent multiscale micromorphic molecular dynamics

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

Li, Shaofan, E-mail: shaofan@berkeley.edu; Tong, Qi

2015-04-21

In this work, we have derived a multiscale micromorphic molecular dynamics (MMMD) from first principle to extend the (Andersen)-Parrinello-Rahman molecular dynamics to mesoscale and continuum scale. The multiscale micromorphic molecular dynamics is a con-current three-scale dynamics that couples a fine scale molecular dynamics, a mesoscale micromorphic dynamics, and a macroscale nonlocal particle dynamics together. By choosing proper statistical closure conditions, we have shown that the original Andersen-Parrinello-Rahman molecular dynamics is the homogeneous and equilibrium case of the proposed multiscale micromorphic molecular dynamics. In specific, we have shown that the Andersen-Parrinello-Rahman molecular dynamics can be rigorously formulated and justified from firstmore » principle, and its general inhomogeneous case, i.e., the three scale con-current multiscale micromorphic molecular dynamics can take into account of macroscale continuum mechanics boundary condition without the limitation of atomistic boundary condition or periodic boundary conditions. The discovered multiscale scale structure and the corresponding multiscale dynamics reveal a seamless transition from atomistic scale to continuum scale and the intrinsic coupling mechanism among them based on first principle formulation.« less

Segregation physics of a macroscale granular ratchet

NASA Astrophysics Data System (ADS)

Bhateja, Ashish; Sharma, Ishan; Singh, Jayant K.

2017-05-01

New experiments with multigrain mixtures in a laterally shaken, horizontal channel show complete axial segregation of species. The channel consists of multiple concatenated trapeziums, and superficially resembles microratchets wherein asymmetric geometries and potentials transport, and sort, randomly agitated microscopic particles. However, the physics of our macroscale granular ratchet is fundamentally different, as macroscopic segregation is gravity driven. Our observations are not explained by classical granular segregation theories either. Motivated by the experiments, extensive parallelized discrete element simulations reveal that the macroratchet differentiates grains through hierarchical bidirectional segregation over two different time scales: Grains rapidly sort vertically into horizontal bands spanning the channel's length that, subsequently, slowly separate axially, driven by strikingly gentle, average interfacial pressure gradients acting over long distances. At its maximum, the pressure gradient responsible for axial separation was due to a change in height of about two big grain diameters (d =7 mm) over a meter-long channel. The strong directional segregation achieved by the granular macroratchet has practical importance, while identifying the underlying new physics will further our understanding of granular segregation in industrial and geophysical processes.

Design-based modeling of magnetically actuated soft diaphragm materials

NASA Astrophysics Data System (ADS)

Jayaneththi, V. R.; Aw, K. C.; McDaid, A. J.

2018-04-01

Magnetic polymer composites (MPC) have shown promise for emerging biomedical applications such as lab-on-a-chip and implantable drug delivery. These soft material actuators are capable of fast response, large deformation and wireless actuation. Existing MPC modeling approaches are computationally expensive and unsuitable for rapid design prototyping and real-time control applications. This paper proposes a macro-scale 1-DOF model capable of predicting force and displacement of an MPC diaphragm actuator. Model validation confirmed both blocked force and displacement can be accurately predicted in a variety of working conditions i.e. different magnetic field strengths, static/dynamic fields, and gap distances. The contribution of this work includes a comprehensive experimental investigation of a macro-scale diaphragm actuator; the derivation and validation of a new phenomenological model to describe MPC actuation; and insights into the proposed model’s design-based functionality i.e. scalability and generalizability in terms of magnetic filler concentration and diaphragm diameter. Due to the lumped element modeling approach, the proposed model can also be adapted to alternative actuator configurations, and thus presents a useful tool for design, control and simulation of novel MPC applications.

Direct Determination of the Rate Coefficient for the Reaction of OH Radicals with Monoethanol Amine (MEA) from 296 to 510 K.

PubMed

Onel, L; Blitz, M A; Seakins, P W

2012-04-05

Monoethanol amine (H2NCH2CH2OH, MEA) has been proposed for large-scale use in carbon capture and storage. We present the first absolute, temperature-dependent determination of the rate coefficient for the reaction of OH with MEA using laser flash photolysis for OH generation, monitoring OH removal by laser-induced fluorescence. The room-temperature rate coefficient is determined to be (7.61 ± 0.76) × 10(-11) cm(3) molecule(-1) s(-1), and the rate coefficient decreases by about 40% by 510 K. The temperature dependence of the rate coefficient is given by k1= (7.73 ± 0.24) × 10(-11)(T/295)(-(0.79±0.11)) cm(3) molecule(-1) s(-1). The high rate coefficient shows that gas-phase processing in the atmosphere will be competitive with uptake onto aerosols.

Lab-On-a-Chip Application Development (LOCAD): Bridging Technology Readiness for Exploration

NASA Technical Reports Server (NTRS)

Spearing, Scott F.; Jenkins, Andy

2004-01-01

At Marshall Space Flight Center we have established a capability to investigate the use of microfluidics for space flight. The Lab-On-a-Chip Application Development (LOCAD) team has created a program for advancing Technology Readiness Levels (TRL) of 1 and 2 to TRL 6 and 7, quickly and economically for Lab-On-a-Chip (LOC) applications. Scientists and engineers can utilize LOCAD'S process to efficiently learn about microfluidics and determine if microfluidics is applicable to their needs. Once the applicability has been determined, LOCAD can then perform tests to develop the new fluidic protocols which are different from macro-scale chemical reaction protocols. With this information new micro-fluidic devices can be created and tested. Currently, LOCAD is focused on using microfluidics for both Environmental Monitoring & Control, and Medical Systems. Eventually, handheld portable units utilizing LOC technology will perform rapid tests to determine water quality, and microbial contamination levels. Since LOC technology is drastically reduced in physical size, it thereby reduces power, weight, volume, and sample requirements, a big advantage considering the resource constraints associated with spaceflight. Another one of LOCAD's current activities is the development of a microfluidic system to aid in the search for life on Mars.

Simultaneous all-optical determination of molecular concentration and extinction coefficient.

PubMed

Cho, Byungmoon; Tiwari, Vivek; Jonas, David M

2013-06-04

Absolute molecular number concentration and extinction coefficient are simultaneously determined from linear and nonlinear spectroscopic measurements. This method is based on measurements of absolute femtosecond pump-probe signals. Accounting for pulse propagation, we present a closed form expression for molecular number concentration in terms of absorbance, fluorescence, absolute pump-probe signal, and laser pulse parameters (pulse energy, spectrum, and spatial intensity profile); all quantities are measured optically. As in gravimetric and coulometric determinations of concentration, no standard samples are needed for calibration. The extinction coefficient can then be determined from the absorbance spectrum and the concentration. For fluorescein in basic methanol, the optically determined molar concentrations and extinction coefficients match gravimetric determinations to within 10% for concentrations from 0.032 to 0.540 mM, corresponding to absorbance from 0.06 to 1. In principle, this photonumeric method is extensible to transient chemical species for which other methods are not available.

Experimental determination of group flux control coefficients in metabolic networks

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

Simpson, T.W.; Shimizu, Hiroshi; Stephanopoulos, G.

1998-04-20

Grouping of reactions around key metabolite branch points can facilitate the study of metabolic control of complex metabolic networks. This top-down Metabolic Control Analysis is exemplified through the introduction of group control coefficients whose magnitudes provide a measure of the relative impact of each reaction group on the overall network flux, as well as on the overall network stability, following enzymatic amplification. In this article, the authors demonstrate the application of previously developed theory to the determination of group flux control coefficients. Experimental data for the changes in metabolic fluxes obtained in response to the introduction of six different environmentalmore » perturbations are used to determine the group flux control coefficients for three reaction groups formed around the phosphoenolpyruvate/pyruvate branch point. The consistency of the obtained group flux control coefficient estimates is systematically analyzed to ensure that all necessary conditions are satisfied. The magnitudes of the determined control coefficients suggest that the control of lysine production flux in Corynebacterium glutamicum cells at a growth base state resides within the lysine biosynthetic pathway that begins with the PEP/PYR carboxylation anaplorotic pathway.« less

A Technique for Mapping Characteristic Lengths to Preserve Energy Dissipated via Strain Softening in a Multiscale Analysis

NASA Technical Reports Server (NTRS)

Pineda, Evan J.; Bednarcyk, Brett A.; Arnold, Steven M.

2014-01-01

It is often advantageous to account for the microstructure of the material directly using multiscale modeling. For computational tractability, an idealized repeating unit cell (RUC) is used to capture all of the pertinent features of the microstructure. Typically, the RUC is dimensionless and depends only on the relative volume fractions of the different phases in the material. This works well for non-linear and inelastic behavior exhibiting a positive-definite constitutive response. Although, once the material exhibits strain softening, or localization, a mesh objective failure theories, such as smeared fracture theories, nodal and element enrichment theories (XFEM), cohesive elements or virtual crack closure technique (VCCT), can be utilized at the microscale, but the dimensions of the RUC must then be defined. One major challenge in multiscale progressive damage modeling is relating the characteristic lengths across the scales in order to preserve the energy that is dissipated via localization at the microscale. If there is no effort to relate the size of the macroscale element to the microscale RUC, then the energy that is dissipated will remain mesh dependent at the macroscale, even if it is regularized at the microscale. Here, a technique for mapping characteristic lengths across the scales is proposed. The RUC will be modeled using the generalized method of cells (GMC) micromechanics theory, and local failure in the matrix constituent subcells will be modeled using the crack band theory. The subcell characteristic lengths used in the crack band calculations will be mapped to the macroscale finite element in order to regularize the local energy in a manner consistent with the global length scale. Examples will be provided with and without the regularization, and they will be compared to a baseline case where the size and shape of the element and RUC are coincident (ensuring energy is preserved across the scales).

Creating multithemed ecological regions for macroscale ecology: Testing a flexible, repeatable, and accessible clustering method

USGS Publications Warehouse

Cheruvelil, Kendra Spence; Yuan, Shuai; Webster, Katherine E.; Tan, Pang-Ning; Lapierre, Jean-Francois; Collins, Sarah M.; Fergus, C. Emi; Scott, Caren E.; Norton Henry, Emily; Soranno, Patricia A.; Filstrup, Christopher T.; Wagner, Tyler

2017-01-01

Understanding broad-scale ecological patterns and processes often involves accounting for regional-scale heterogeneity. A common way to do so is to include ecological regions in sampling schemes and empirical models. However, most existing ecological regions were developed for specific purposes, using a limited set of geospatial features and irreproducible methods. Our study purpose was to: (1) describe a method that takes advantage of recent computational advances and increased availability of regional and global data sets to create customizable and reproducible ecological regions, (2) make this algorithm available for use and modification by others studying different ecosystems, variables of interest, study extents, and macroscale ecology research questions, and (3) demonstrate the power of this approach for the research question—How well do these regions capture regional-scale variation in lake water quality? To achieve our purpose we: (1) used a spatially constrained spectral clustering algorithm that balances geospatial homogeneity and region contiguity to create ecological regions using multiple terrestrial, climatic, and freshwater geospatial data for 17 northeastern U.S. states (~1,800,000 km2); (2) identified which of the 52 geospatial features were most influential in creating the resulting 100 regions; and (3) tested the ability of these ecological regions to capture regional variation in water nutrients and clarity for ~6,000 lakes. We found that: (1) a combination of terrestrial, climatic, and freshwater geospatial features influenced region creation, suggesting that the oft-ignored freshwater landscape provides novel information on landscape variability not captured by traditionally used climate and terrestrial metrics; and (2) the delineated regions captured macroscale heterogeneity in ecosystem properties not included in region delineation—approximately 40% of the variation in total phosphorus and water clarity among lakes was at the regional scale. Our results demonstrate the usefulness of this method for creating customizable and reproducible regions for research and management applications.

Creating multithemed ecological regions for macroscale ecology: Testing a flexible, repeatable, and accessible clustering method.

PubMed

Cheruvelil, Kendra Spence; Yuan, Shuai; Webster, Katherine E; Tan, Pang-Ning; Lapierre, Jean-François; Collins, Sarah M; Fergus, C Emi; Scott, Caren E; Henry, Emily Norton; Soranno, Patricia A; Filstrup, Christopher T; Wagner, Tyler

2017-05-01

Understanding broad-scale ecological patterns and processes often involves accounting for regional-scale heterogeneity. A common way to do so is to include ecological regions in sampling schemes and empirical models. However, most existing ecological regions were developed for specific purposes, using a limited set of geospatial features and irreproducible methods. Our study purpose was to: (1) describe a method that takes advantage of recent computational advances and increased availability of regional and global data sets to create customizable and reproducible ecological regions, (2) make this algorithm available for use and modification by others studying different ecosystems, variables of interest, study extents, and macroscale ecology research questions, and (3) demonstrate the power of this approach for the research question-How well do these regions capture regional-scale variation in lake water quality? To achieve our purpose we: (1) used a spatially constrained spectral clustering algorithm that balances geospatial homogeneity and region contiguity to create ecological regions using multiple terrestrial, climatic, and freshwater geospatial data for 17 northeastern U.S. states (~1,800,000 km 2 ); (2) identified which of the 52 geospatial features were most influential in creating the resulting 100 regions; and (3) tested the ability of these ecological regions to capture regional variation in water nutrients and clarity for ~6,000 lakes. We found that: (1) a combination of terrestrial, climatic, and freshwater geospatial features influenced region creation, suggesting that the oft-ignored freshwater landscape provides novel information on landscape variability not captured by traditionally used climate and terrestrial metrics; and (2) the delineated regions captured macroscale heterogeneity in ecosystem properties not included in region delineation-approximately 40% of the variation in total phosphorus and water clarity among lakes was at the regional scale. Our results demonstrate the usefulness of this method for creating customizable and reproducible regions for research and management applications.

Macroscale cobalt-MOFs derived metallic Co nanoparticles embedded in N-doped porous carbon layers as efficient oxygen electrocatalysts

NASA Astrophysics Data System (ADS)

Lu, Hai-Sheng; Zhang, Haimin; Liu, Rongrong; Zhang, Xian; Zhao, Huijun; Wang, Guozhong

2017-01-01

Metal-organic frameworks (MOFs) materials have aroused great research interest in different areas owing to their unique properties, such as high surface area, various composition, well-organized framework and controllable porous structure. Controllable fabrication of MOFs materials at macro-scale may be more promising for their large-scale practical applications. Here we report the synthesis of macro-scale Co-MOFs crystals using 1,3,5-benzenetricarboxylic acid (H3BTC) linker in the presence of Co2+, triethylamine (TEA) and nonanoic acid by a facile solvothermal reaction. Further, the as-fabricated Co-MOFs as precursor was pyrolytically treated at different temperatures in N2 atmosphere to obtain metallic Co nanoparticles embedded in N-doped porous carbon layers (denoted as Co@NPC). The results demonstrate that the Co-MOFs derived sample obtained at 900 °C (Co@NPC-900) shows a porous structure (including micropore and mesopore) with a surface area of 110.8 m2 g-1 and an N doping level of 1.62 at.% resulted from TEA in the pyrolysis process. As electrocatalyst, the Co@NPC-900 exhibits bifunctional electrocatalytic activities toward the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) in alkaline media which are key reactions in some renewable energy technologies such as fuel cells and rechargeable metal-air batteries. The results indicate that the Co@NPC-900 can afford an onset potential of 1.50 V (vs. RHE) and a potential value of 1.61 V (vs. RHE) at a current density of 10 mA cm-2 for ORR and OER with high applicable stability, respectively. The efficient catalytic activity of Co@NPC-900 as bifunctional oxygen electrocatalyst can be ascribed to N doping and embedded metallic Co nanoparticles in carbon structure providing catalytic active sites and porous structure favourable for electrocatalysis-related mass transport.

Chondrocyte Deformations as a Function of Tibiofemoral Joint Loading Predicted by a Generalized High-Throughput Pipeline of Multi-Scale Simulations

PubMed Central

Sibole, Scott C.; Erdemir, Ahmet

2012-01-01

Cells of the musculoskeletal system are known to respond to mechanical loading and chondrocytes within the cartilage are not an exception. However, understanding how joint level loads relate to cell level deformations, e.g. in the cartilage, is not a straightforward task. In this study, a multi-scale analysis pipeline was implemented to post-process the results of a macro-scale finite element (FE) tibiofemoral joint model to provide joint mechanics based displacement boundary conditions to micro-scale cellular FE models of the cartilage, for the purpose of characterizing chondrocyte deformations in relation to tibiofemoral joint loading. It was possible to identify the load distribution within the knee among its tissue structures and ultimately within the cartilage among its extracellular matrix, pericellular environment and resident chondrocytes. Various cellular deformation metrics (aspect ratio change, volumetric strain, cellular effective strain and maximum shear strain) were calculated. To illustrate further utility of this multi-scale modeling pipeline, two micro-scale cartilage constructs were considered: an idealized single cell at the centroid of a 100×100×100 μm block commonly used in past research studies, and an anatomically based (11 cell model of the same volume) representation of the middle zone of tibiofemoral cartilage. In both cases, chondrocytes experienced amplified deformations compared to those at the macro-scale, predicted by simulating one body weight compressive loading on the tibiofemoral joint. In the 11 cell case, all cells experienced less deformation than the single cell case, and also exhibited a larger variance in deformation compared to other cells residing in the same block. The coupling method proved to be highly scalable due to micro-scale model independence that allowed for exploitation of distributed memory computing architecture. The method’s generalized nature also allows for substitution of any macro-scale and/or micro-scale model providing application for other multi-scale continuum mechanics problems. PMID:22649535

A novel method of multi-scale simulation of macro-scale deformation and microstructure evolution on metal forming

NASA Astrophysics Data System (ADS)

Huang, Shiquan; Yi, Youping; Li, Pengchuan

2011-05-01

In recent years, multi-scale simulation technique of metal forming is gaining significant attention for prediction of the whole deformation process and microstructure evolution of product. The advances of numerical simulation at macro-scale level on metal forming are remarkable and the commercial FEM software, such as Deform2D/3D, has found a wide application in the fields of metal forming. However, the simulation method of multi-scale has little application due to the non-linearity of microstructure evolution during forming and the difficulty of modeling at the micro-scale level. This work deals with the modeling of microstructure evolution and a new method of multi-scale simulation in forging process. The aviation material 7050 aluminum alloy has been used as example for modeling of microstructure evolution. The corresponding thermal simulated experiment has been performed on Gleeble 1500 machine. The tested specimens have been analyzed for modeling of dislocation density, nucleation and growth of recrystallization(DRX). The source program using cellular automaton (CA) method has been developed to simulate the grain nucleation and growth, in which the change of grain topology structure caused by the metal deformation was considered. The physical fields at macro-scale level such as temperature field, stress and strain fields, which can be obtained by commercial software Deform 3D, are coupled with the deformed storage energy at micro-scale level by dislocation model to realize the multi-scale simulation. This method was explained by forging process simulation of the aircraft wheel hub forging. Coupled the results of Deform 3D with CA results, the forging deformation progress and the microstructure evolution at any point of forging could be simulated. For verifying the efficiency of simulation, experiments of aircraft wheel hub forging have been done in the laboratory and the comparison of simulation and experiment result has been discussed in details.

The case for applying tissue engineering methodologies to instruct human organoid morphogenesis.

PubMed

Marti-Figueroa, Carlos R; Ashton, Randolph S

2017-05-01

Three-dimensional organoids derived from human pluripotent stem cell (hPSC) derivatives have become widely used in vitro models for studying development and disease. Their ability to recapitulate facets of normal human development during in vitro morphogenesis produces tissue structures with unprecedented biomimicry. Current organoid derivation protocols primarily rely on spontaneous morphogenesis processes to occur within 3-D spherical cell aggregates with minimal to no exogenous control. This yields organoids containing microscale regions of biomimetic tissues, but at the macroscale (i.e. 100's of microns to millimeters), the organoids' morphology, cytoarchitecture, and cellular composition are non-biomimetic and variable. The current lack of control over in vitro organoid morphogenesis at the microscale induces aberrations at the macroscale, which impedes realization of the technology's potential to reproducibly form anatomically correct human tissue units that could serve as optimal human in vitro models and even transplants. Here, we review tissue engineering methodologies that could be used to develop powerful approaches for instructing multiscale, 3-D human organoid morphogenesis. Such technological mergers are critically needed to harness organoid morphogenesis as a tool for engineering functional human tissues with biomimetic anatomy and physiology. Human PSC-derived 3-D organoids are revolutionizing the biomedical sciences. They enable the study of development and disease within patient-specific genetic backgrounds and unprecedented biomimetic tissue microenvironments. However, their uncontrolled, spontaneous morphogenesis at the microscale yields inconsistences in macroscale organoid morphology, cytoarchitecture, and cellular composition that limits their standardization and application. Integration of tissue engineering methods with organoid derivation protocols could allow us to harness their potential by instructing standardized in vitro morphogenesis to generate organoids with biomimicry at all scales. Such advancements would enable the use of organoids as a basis for 'next-generation' tissue engineering of functional, anatomically mimetic human tissues and potentially novel organ transplants. Here, we discuss critical aspects of organoid morphogenesis where application of innovative tissue engineering methodologies would yield significant advancement towards this goal. Copyright © 2017. Published by Elsevier Ltd.

Determining Sample Size for Accurate Estimation of the Squared Multiple Correlation Coefficient.

ERIC Educational Resources Information Center

Algina, James; Olejnik, Stephen

2000-01-01

Discusses determining sample size for estimation of the squared multiple correlation coefficient and presents regression equations that permit determination of the sample size for estimating this parameter for up to 20 predictor variables. (SLD)

Statistical analysis of co-occurrence patterns in microbial presence-absence datasets

PubMed Central

Bewick, Sharon; Thielen, Peter; Mehoke, Thomas; Breitwieser, Florian P.; Paudel, Shishir; Adhikari, Arjun; Wolfe, Joshua; Slud, Eric V.; Karig, David; Fagan, William F.

2017-01-01

Drawing on a long history in macroecology, correlation analysis of microbiome datasets is becoming a common practice for identifying relationships or shared ecological niches among bacterial taxa. However, many of the statistical issues that plague such analyses in macroscale communities remain unresolved for microbial communities. Here, we discuss problems in the analysis of microbial species correlations based on presence-absence data. We focus on presence-absence data because this information is more readily obtainable from sequencing studies, especially for whole-genome sequencing, where abundance estimation is still in its infancy. First, we show how Pearson’s correlation coefficient (r) and Jaccard’s index (J)–two of the most common metrics for correlation analysis of presence-absence data–can contradict each other when applied to a typical microbiome dataset. In our dataset, for example, 14% of species-pairs predicted to be significantly correlated by r were not predicted to be significantly correlated using J, while 37.4% of species-pairs predicted to be significantly correlated by J were not predicted to be significantly correlated using r. Mismatch was particularly common among species-pairs with at least one rare species (<10% prevalence), explaining why r and J might differ more strongly in microbiome datasets, where there are large numbers of rare taxa. Indeed 74% of all species-pairs in our study had at least one rare species. Next, we show how Pearson’s correlation coefficient can result in artificial inflation of positive taxon relationships and how this is a particular problem for microbiome studies. We then illustrate how Jaccard’s index of similarity (J) can yield improvements over Pearson’s correlation coefficient. However, the standard null model for Jaccard’s index is flawed, and thus introduces its own set of spurious conclusions. We thus identify a better null model based on a hypergeometric distribution, which appropriately corrects for species prevalence. This model is available from recent statistics literature, and can be used for evaluating the significance of any value of an empirically observed Jaccard’s index. The resulting simple, yet effective method for handling correlation analysis of microbial presence-absence datasets provides a robust means of testing and finding relationships and/or shared environmental responses among microbial taxa. PMID:29145425

From micro-scale 3D simulations to macro-scale model of periodic porous media

NASA Astrophysics Data System (ADS)

Crevacore, Eleonora; Tosco, Tiziana; Marchisio, Daniele; Sethi, Rajandrea; Messina, Francesca

2015-04-01

In environmental engineering, the transport of colloidal suspensions in porous media is studied to understand the fate of potentially harmful nano-particles and to design new remediation technologies. In this perspective, averaging techniques applied to micro-scale numerical simulations are a powerful tool to extrapolate accurate macro-scale models. Choosing two simplified packing configurations of soil grains and starting from a single elementary cell (module), it is possible to take advantage of the periodicity of the structures to reduce the computation costs of full 3D simulations. Steady-state flow simulations for incompressible fluid in laminar regime are implemented. Transport simulations are based on the pore-scale advection-diffusion equation, that can be enriched introducing also the Stokes velocity (to consider the gravity effect) and the interception mechanism. Simulations are carried on a domain composed of several elementary modules, that serve as control volumes in a finite volume method for the macro-scale method. The periodicity of the medium involves the periodicity of the flow field and this will be of great importance during the up-scaling procedure, allowing relevant simplifications. Micro-scale numerical data are treated in order to compute the mean concentration (volume and area averages) and fluxes on each module. The simulation results are used to compare the micro-scale averaged equation to the integral form of the macroscopic one, making a distinction between those terms that could be computed exactly and those for which a closure in needed. Of particular interest it is the investigation of the origin of macro-scale terms such as the dispersion and tortuosity, trying to describe them with micro-scale known quantities. Traditionally, to study the colloidal transport many simplifications are introduced, such those concerning ultra-simplified geometry that usually account for a single collector. Gradual removal of such hypothesis leads to a detailed description of colloidal transport mechanisms. Starting from nearly realistic 3D geometries, the ultimate purpose of this work is that of develop an improved understanding of the fate of colloidal particles through, for example, an accurate description of the deposition efficiency, in order design efficient remediation techniques. G. Boccardo, D.L. Marchisio, R.Sethi, Journal of colloid and interface science, Vol 417C, pp 227-237, 2014 M. Icardi, G. Boccardo, D.L. Marchisio, T. Tosco, R.Sethi, Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 2014 S. Torkzaban, S.S. Tazehkand, S.L. Walker, S.A. Bradford, Water resources research, Vol 44, 2008 S.M. Hassanizadeh, Adv in Water Resources, Vol. 2, pp 131-144, 1979 S. Whitaker, AIChE Journal, Vol. 13 No. 3, pp 420-428, May 1967

Experimental determination of damping of plate vibrations in a viscous fluid

NASA Astrophysics Data System (ADS)

Egorov, A. G.; Kamalutdinov, A. M.; Nuriev, A. N.; Paimushin, V. N.

2017-05-01

A method of determining the aerodynamic-drag coefficient of flat vibrating plates from the vibrogram of free damping vibrations of cantilever-fixed duralumin samples has been developed. From the results of our experiments, simple approximating formulas determining the decrement of damping vibrations and the aerodynamic-drag coefficient through the dimensionless vibration amplitude and the Stokes parameter are proposed. The approach developed in this study for determining the aerodynamic-drag coefficient of a vibrating plate can be a useful alternative to purely hydrodynamic methods of finding the drag of vibrating solids.

Three-scale analysis of the permeability of a natural shale

NASA Astrophysics Data System (ADS)

Davy, C. A.; Adler, P. M.

2017-12-01

The macroscopic permeability of a natural shale is determined by using structural measurements on three different scales. Transmission electron microscopy yields two-dimensional (2D) images with pixels smaller than 1 nm; these images are used to reconstruct 3D nanostructures. Three-dimensional focused ion beam-scanning electron microscopy (5.95- to 8.48-nm voxel size) provides 3D mesoscale pores of limited relative volume (1.71-5.9%). Micro-computed tomography (700-nm voxel size) provides information on the mineralogy of the shale, including the pores on this scale which do not percolate; synthetic 3D media are derived on the macroscopic scale by a training image technique. Permeability of the nanoscale, of the mesoscale structures and of their superposition is determined by solving the Stokes equation and this enables us to estimate the permeabilities of the 700-nm voxels located within the clay matrix. Finally, the Darcy equation is solved on synthetic 3D macroscale media to obtain the macroscopic permeability which is found in good agreement with experimental results obtained on the centimetric scale.

Lab on a Chip Application Development for Exploration

NASA Technical Reports Server (NTRS)

Monaco, Lisa

2004-01-01

At Marshall Space Flight Center a new capability has been established to aid the advancement of microfluidics for space flight monitoring systems. Lab-On-a-Chip Application Development (LOCAD) team has created a program for advancing Technology Readiness Levels (TRL) of 1 & 2 to TRL 6 and 7, quickly and economically for Lab-On-a-Chip (LOC) applications. Scientists and engineers can utilize LOCAD's process to efficiently learn about microfluidics and determine if microfluidics is applicable to their needs. Once the applicability has been determined, LOCAD can then perform tests to develop the new fluidic protocols which are different from macro-scale chemical reaction protocols. With this information new micro-devices can be created such as the development of a microfluidic system to aid in the search for life, past and present, on Mars. Particular indicators in the Martian soil can contain the direct evidence of life. But to extract the information from the soil and present it to the proper detectors requires multiple fluidic/chemical operations. This is where LOCAD is providing its unique abilities.

ScoreRel CI: An Excel Program for Computing Confidence Intervals for Commonly Used Score Reliability Coefficients

ERIC Educational Resources Information Center

Barnette, J. Jackson

2005-01-01

An Excel program developed to assist researchers in the determination and presentation of confidence intervals around commonly used score reliability coefficients is described. The software includes programs to determine confidence intervals for Cronbachs alpha, Pearson r-based coefficients such as those used in test-retest and alternate forms…

Grain-scale investigations of deformation heterogeneities in aluminum alloys

NASA Astrophysics Data System (ADS)

Güler, Baran; Şimşek, Ülke; Yalçınkaya, Tuncay; Efe, Mert

2018-05-01

The anisotropic deformation of Aluminum alloys at micron scale exhibits localized deformation, which has negative implications on the macroscale mechanical and forming behavior. The scope of this work is twofold. Firstly, micro-scale deformation heterogeneities affecting forming behavior of aluminum alloys is investigated through experimental microstructure analysis at large strains and various strain paths. The effects of initial texture, local grain misorientation, and strain paths on the strain localizations are established. In addition to uniaxial tension condition, deformation heterogeneities are also investigated under equibiaxial tension condition to determine the strain path effects on the localization behavior. Secondly, the morphology and the crystallographic data obtained from the experiments is transferred to Abaqus software, in order to predict both macroscopic response and the microstructure evolution though crystal plasticity finite element simulations. The model parameters are identified through the comparison with experiments and the capability of the model to capture real material response is discussed as well.

Mechanical Properties and Failure of Biopolymers: Atomistic Reactions to Macroscale Response

PubMed Central

Jung, GangSeob; Qin, Zhao

2017-01-01

The behavior of chemical bonding under various mechanical loadings is an intriguing mechanochemical property of biological materials, and the property plays a critical role in determining their deformation and failure mechanisms. Because of their astonishing mechanical properties and roles in constituting the basis of a variety of physiologically relevant materials, biological protein materials have been intensively studied. Understanding the relation between chemical bond networks (structures) and their mechanical properties offers great possibilities to enable new materials design in nanotechnology and new medical treatments for human diseases. Here we focus on how the chemical bonds in biological systems affect mechanical properties and how they change during mechanical deformation and failure. Three representative cases of biomaterials related to the human diseases are discussed in case studies, including: amyloids, intermediate filaments, and collagen, each describing mechanochemical features and how they relate to the pathological conditions at multiple scales. PMID:26108895

Shaping highly regular glass architectures: A lesson from nature

PubMed Central

Schoeppler, Vanessa; Reich, Elke; Vacelet, Jean; Rosenthal, Martin; Pacureanu, Alexandra; Rack, Alexander; Zaslansky, Paul; Zolotoyabko, Emil; Zlotnikov, Igor

2017-01-01

Demospongiae is a class of marine sponges that mineralize skeletal elements, the glass spicules, made of amorphous silica. The spicules exhibit a diversity of highly regular three-dimensional branched morphologies that are a paradigm example of symmetry in biological systems. Current glass shaping technology requires treatment at high temperatures. In this context, the mechanism by which glass architectures are formed by living organisms remains a mystery. We uncover the principles of spicule morphogenesis. During spicule formation, the process of silica deposition is templated by an organic filament. It is composed of enzymatically active proteins arranged in a mesoscopic hexagonal crystal-like structure. In analogy to synthetic inorganic nanocrystals that show high spatial regularity, we demonstrate that the branching of the filament follows specific crystallographic directions of the protein lattice. In correlation with the symmetry of the lattice, filament branching determines the highly regular morphology of the spicules on the macroscale. PMID:29057327

Processor farming in two-level analysis of historical bridge

NASA Astrophysics Data System (ADS)

Krejčí, T.; Kruis, J.; Koudelka, T.; Šejnoha, M.

2017-11-01

This contribution presents a processor farming method in connection with a multi-scale analysis. In this method, each macro-scopic integration point or each finite element is connected with a certain meso-scopic problem represented by an appropriate representative volume element (RVE). The solution of a meso-scale problem provides then effective parameters needed on the macro-scale. Such an analysis is suitable for parallel computing because the meso-scale problems can be distributed among many processors. The application of the processor farming method to a real world masonry structure is illustrated by an analysis of Charles bridge in Prague. The three-dimensional numerical model simulates the coupled heat and moisture transfer of one half of arch No. 3. and it is a part of a complex hygro-thermo-mechanical analysis which has been developed to determine the influence of climatic loading on the current state of the bridge.

Stevenson receives Hess Medal

NASA Astrophysics Data System (ADS)

Kaula, William M.; Stevenson, David J.

David J. Stevenson was awarded the Harry H. Hess Medal at the AGU Spring Meeting Honors Ceremony, which was held on May 27, 1998, in Boston, Massachusetts. The Harry H. Hess Medal recognizes outstanding achievements in the research of the constitution and evolution of Earth and its sister planets.A meaningful understanding of the Earth and planets requires explaining their differences. This explanation of planetary processes is difficult partly because it entails a wide range of scales—from microscale, operating at the atomic level, to macroscale, determined by boundaries thousands of kilometers apart. David Stevenson's graduate study was mainly in theoretical condensedmatter physics, but he is remarkable in his grasp of large-scale planetary processes such as mantle convection and the dynamos. He is also remarkable in his ‘instinct to attack the jugular,’ that is to go for the most important problems and for the versatility of his approaches thereto.

Energy transports by ocean and atmosphere based on an entropy extremum principle. I - Zonal averaged transports

NASA Technical Reports Server (NTRS)

Sohn, Byung-Ju; Smith, Eric A.

1993-01-01

The maximum entropy production principle suggested by Paltridge (1975) is applied to separating the satellite-determined required total transports into atmospheric and oceanic components. Instead of using the excessively restrictive equal energy dissipation hypothesis as a deterministic tool for separating transports between the atmosphere and ocean fluids, the satellite-inferred required 2D energy transports are imposed on Paltridge's energy balance model, which is then solved as a variational problem using the equal energy dissipation hypothesis only to provide an initial guess field. It is suggested that Southern Ocean transports are weaker than previously reported. It is argued that a maximum entropy production principle can serve as a governing rule on macroscale global climate, and, in conjunction with conventional satellite measurements of the net radiation balance, provides a means to decompose atmosphere and ocean transports from the total transport field.

Oriented clonal cell dynamics enables accurate growth and shaping of vertebrate cartilage

PubMed Central

Kaucka, Marketa; Zikmund, Tomas; Tesarova, Marketa; Gyllborg, Daniel; Hellander, Andreas; Jaros, Josef; Kaiser, Jozef; Petersen, Julian; Szarowska, Bara; Newton, Phillip T; Dyachuk, Vyacheslav; Li, Lei; Qian, Hong; Johansson, Anne-Sofie; Mishina, Yuji; Currie, Joshua D; Tanaka, Elly M; Erickson, Alek; Dudley, Andrew; Brismar, Hjalmar; Southam, Paul; Coen, Enrico; Chen, Min; Weinstein, Lee S; Hampl, Ales; Arenas, Ernest; Chagin, Andrei S; Fried, Kaj; Adameyko, Igor

2017-01-01

Cartilaginous structures are at the core of embryo growth and shaping before the bone forms. Here we report a novel principle of vertebrate cartilage growth that is based on introducing transversally-oriented clones into pre-existing cartilage. This mechanism of growth uncouples the lateral expansion of curved cartilaginous sheets from the control of cartilage thickness, a process which might be the evolutionary mechanism underlying adaptations of facial shape. In rod-shaped cartilage structures (Meckel, ribs and skeletal elements in developing limbs), the transverse integration of clonal columns determines the well-defined diameter and resulting rod-like morphology. We were able to alter cartilage shape by experimentally manipulating clonal geometries. Using in silico modeling, we discovered that anisotropic proliferation might explain cartilage bending and groove formation at the macro-scale. DOI: http://dx.doi.org/10.7554/eLife.25902.001 PMID:28414273

Revealing in-block nestedness: Detection and benchmarking

NASA Astrophysics Data System (ADS)

Solé-Ribalta, Albert; Tessone, Claudio J.; Mariani, Manuel S.; Borge-Holthoefer, Javier

2018-06-01

As new instances of nested organization—beyond ecological networks—are discovered, scholars are debating the coexistence of two apparently incompatible macroscale architectures: nestedness and modularity. The discussion is far from being solved, mainly for two reasons. First, nestedness and modularity appear to emerge from two contradictory dynamics, cooperation and competition. Second, existing methods to assess the presence of nestedness and modularity are flawed when it comes to the evaluation of concurrently nested and modular structures. In this work, we tackle the latter problem, presenting the concept of in-block nestedness, a structural property determining to what extent a network is composed of blocks whose internal connectivity exhibits nestedness. We then put forward a set of optimization methods that allow us to identify such organization successfully, in synthetic and in a large number of real networks. These findings challenge our understanding of the topology of ecological and social systems, calling for new models to explain how such patterns emerge.

Wide Field-of-View Soft X-Ray Imaging for Solar Wind-Magnetosphere Interactions

NASA Technical Reports Server (NTRS)

Walsh, B. M.; Collier, M. R.; Kuntz, K. D.; Porter, F. S.; Sibeck, D. G.; Snowden, S. L.; Carter, J. A.; Collado-Vega, Y.; Connor, H. K.; Cravens, T. E.;

In-line monitoring of Li-ion battery electrode porosity and areal loading using active thermal scanning - modeling and initial experiment

DOE PAGES

Rupnowski, Przemyslaw; Ulsh, Michael J.; Sopori, Bhushan; ...

2017-08-18

This work focuses on a new technique called active thermal scanning for in-line monitoring of porosity and areal loading of Li-ion battery electrodes. In this technique a moving battery electrode is subjected to thermal excitation and the induced temperature rise is monitored using an infra-red camera. Static and dynamic experiments with speeds up to 1.5 m min -1 are performed on both cathodes and anodes and a combined micro- and macro-scale finite element thermal model of the system is developed. It is shown experimentally and through simulations that during thermal scanning the temperature profile generated in an electrode depends onmore » both coating porosity (or area loading) and thickness. Here, it is concluded that by inverting this relation the porosity (or areal loading) can be determined, if thermal response and thickness are simultaneously measured.« less

In-line monitoring of Li-ion battery electrode porosity and areal loading using active thermal scanning - modeling and initial experiment

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

Rupnowski, Przemyslaw; Ulsh, Michael J.; Sopori, Bhushan

This work focuses on a new technique called active thermal scanning for in-line monitoring of porosity and areal loading of Li-ion battery electrodes. In this technique a moving battery electrode is subjected to thermal excitation and the induced temperature rise is monitored using an infra-red camera. Static and dynamic experiments with speeds up to 1.5 m min -1 are performed on both cathodes and anodes and a combined micro- and macro-scale finite element thermal model of the system is developed. It is shown experimentally and through simulations that during thermal scanning the temperature profile generated in an electrode depends onmore » both coating porosity (or area loading) and thickness. Here, it is concluded that by inverting this relation the porosity (or areal loading) can be determined, if thermal response and thickness are simultaneously measured.« less

In-line monitoring of Li-ion battery electrode porosity and areal loading using active thermal scanning - modeling and initial experiment

NASA Astrophysics Data System (ADS)

Rupnowski, Przemyslaw; Ulsh, Michael; Sopori, Bhushan; Green, Brian G.; Wood, David L.; Li, Jianlin; Sheng, Yangping

2018-01-01

This work focuses on a new technique called active thermal scanning for in-line monitoring of porosity and areal loading of Li-ion battery electrodes. In this technique a moving battery electrode is subjected to thermal excitation and the induced temperature rise is monitored using an infra-red camera. Static and dynamic experiments with speeds up to 1.5 m min-1 are performed on both cathodes and anodes and a combined micro- and macro-scale finite element thermal model of the system is developed. It is shown experimentally and through simulations that during thermal scanning the temperature profile generated in an electrode depends on both coating porosity (or area loading) and thickness. It is concluded that by inverting this relation the porosity (or areal loading) can be determined, if thermal response and thickness are simultaneously measured.

Asymptotic coefficients for one-interacting-level Voigt profiles

NASA Astrophysics Data System (ADS)

Cope, D.; Lovett, R. J.

1988-02-01

The asymptotic behavior of general Voigt profiles with general width and shift functions has been determined by Cope and Lovett (1987). The resulting asymptotic coefficients are functions of the perturber/radiator mass ratio; also, the coefficients for the one-interacting-level (OIL) profiles proposed by Ward et al. (1974) were studied. In this paper, the behavior of the OIL asymptotic coefficients for large mass ratio values is determined, thereby providing a complete picture of OIL asymptotics for all mass ratios.

Electronic speckle pattern interferometry: a tool for determining diffusion and partition coefficients for proteins in gels.

PubMed

Karlsson, David; Zacchi, Guido; Axelsson, Anders

2002-01-01

The aim of this study was to demonstrate electronic speckle pattern interferometry (ESPI) as a powerful tool in determining diffusion coefficients and partition coefficients for proteins in gels. ESPI employs a CCD camera instead of a holographic plate as in conventional holographic interferometry. This gives the advantage of being able to choose the reference state freely. If a hologram at the reference state is taken and compared to a hologram during the diffusion process, an interferometric picture can be generated that describes the refraction index gradients and thus the concentration gradients in the gel as well as in the liquid. MATLAB is then used to fit Fick's law to the experimental data to obtain the diffusion coefficients in gel and liquid. The partition coefficient is obtained from the same experiment from the flux condition at the interface between gel and liquid. This makes the comparison between the different diffusants more reliable than when the measurements are performed in separate experiments. The diffusion and partitioning coefficients of lysozyme, BSA, and IgG in 4% agarose gel at pH 5.6 and in 0.1 M NaCl have been determined. In the gel the diffusion coefficients were 11.2 +/- 1.6, 4.8 +/- 0.6, and 3.0 +/- 0.3 m(2)/s for lysozyme, BSA, and IgG, respectively. The partition coefficients were determined to be 0.65 +/- 0.04, 0.44 +/- 0.06, and 0.51 +/- 0.04 for lysozyme, BSA, and IgG, respectively. The current study shows that ESPI is easy to use and gives diffusion coefficients and partition coefficients for proteins with sufficient accuracy from the same experiment.

Integrating macro and micro scale approaches in the agent-based modeling of residential dynamics

NASA Astrophysics Data System (ADS)

Saeedi, Sara

2018-06-01

With the advancement of computational modeling and simulation (M&S) methods as well as data collection technologies, urban dynamics modeling substantially improved over the last several decades. The complex urban dynamics processes are most effectively modeled not at the macro-scale, but following a bottom-up approach, by simulating the decisions of individual entities, or residents. Agent-based modeling (ABM) provides the key to a dynamic M&S framework that is able to integrate socioeconomic with environmental models, and to operate at both micro and macro geographical scales. In this study, a multi-agent system is proposed to simulate residential dynamics by considering spatiotemporal land use changes. In the proposed ABM, macro-scale land use change prediction is modeled by Artificial Neural Network (ANN) and deployed as the agent environment and micro-scale residential dynamics behaviors autonomously implemented by household agents. These two levels of simulation interacted and jointly promoted urbanization process in an urban area of Tehran city in Iran. The model simulates the behavior of individual households in finding ideal locations to dwell. The household agents are divided into three main groups based on their income rank and they are further classified into different categories based on a number of attributes. These attributes determine the households' preferences for finding new dwellings and change with time. The ABM environment is represented by a land-use map in which the properties of the land parcels change dynamically over the simulation time. The outputs of this model are a set of maps showing the pattern of different groups of households in the city. These patterns can be used by city planners to find optimum locations for building new residential units or adding new services to the city. The simulation results show that combining macro- and micro-level simulation can give full play to the potential of the ABM to understand the driving mechanism of urbanization and provide decision-making support for urban management.

Nucleation, aggregative growth and detachment of metal nanoparticles during electrodeposition at electrode surfaces† †Electronic supplementary information (ESI) available: S1 Scharifker–Hills model, S2 tapping mode-atomic force microscopy (TM-AFM) image of AM grade HOPG, after exposure to a droplet of 50 mM KNO3, S3 distribution of induction times, S4 results of the modified Cottrell fits at different potentials, S5 FE-SEM images of HOPG after control tip breaking, S6 extended current–time trace. See DOI: 10.1039/c4sc02792b Click here for additional data file.

PubMed Central

Lazenby, Robert A.; Kirkman, Paul M.

2015-01-01

The nucleation and growth of metal nanoparticles (NPs) on surfaces is of considerable interest with regard to creating functional interfaces with myriad applications. Yet, key features of these processes remain elusive and are undergoing revision. Here, the mechanism of the electrodeposition of silver on basal plane highly oriented pyrolytic graphite (HOPG) is investigated as a model system at a wide range of length scales, spanning electrochemical measurements from the macroscale to the nanoscale using scanning electrochemical cell microscopy (SECCM), a pipette-based approach. The macroscale measurements show that the nucleation process cannot be modelled as either truly instantaneous or progressive, and that step edge sites of HOPG do not play a dominant role in nucleation events compared to the HOPG basal plane, as has been widely proposed. Moreover, nucleation numbers extracted from electrochemical analysis do not match those determined by atomic force microscopy (AFM). The high time and spatial resolution of the nanoscale pipette set-up reveals individual nucleation and growth events at the graphite basal surface that are resolved and analysed in detail. Based on these results, corroborated with complementary microscopy measurements, we propose that a nucleation-aggregative growth-detachment mechanism is an important feature of the electrodeposition of silver NPs on HOPG. These findings have major implications for NP electrodeposition and for understanding electrochemical processes at graphitic materials generally. PMID:29560200

Multi-scale approach to Euro-Atlantic climatic cycles based on phenological time series, air temperatures and circulation indexes.

PubMed

Mariani, Luigi; Zavatti, Franco

2017-09-01

The spectral periods in North Atlantic Oscillation (NAO), Atlantic Multidecadal Oscillation (AMO) and El Nino Southern Oscillation (ENSO) were analyzed and has been verified how they imprint a time series of European temperature anomalies (ETA), two European temperature time series and some phenological series (dates of cherry flowering and grapevine harvest). Such work had as reference scenario the linear causal chain MCTP (Macroscale Circulation→Temperature→Phenology of crops) that links oceanic and atmospheric circulation to surface air temperature which in its turn determines the earliness of appearance of phenological phases of plants. Results show that in the three segments of the MCTP causal chain are present cycles with the following central period in years (the % of the 12 analyzed time series interested by these cycles are in brackets): 65 (58%), 24 (58%), 20.5 (58%), 13.5 (50%), 11.5 (58%), 7.7 (75%), 5.5 (58%), 4.1 (58%), 3 (50%), 2.4 (67%). A comparison with short term spectral peaks of the four El Niño regions (nino1+2, nino3, nino3.4 and nino4) show that 10 of the 12 series are imprinted by periods around 2.3-2.4yr while 50-58% of the series are imprinted by El Niño periods of 4-4.2, 3.8-3.9, 3-3.1years. The analysis highlights the links among physical and biological variables of the climate system at scales that range from macro to microscale whose knowledge is crucial to reach a suitable understanding of the ecosystem behavior. The spectral analysis was also applied to a time series of spring - summer precipitation in order to evaluate the presence of peaks common with other 12 selected series with result substantially negative which brings us to rule out the existence of a linear causal chain MCPP (Macroscale Circulation→Precipitation→Phenology). Copyright © 2017 Elsevier B.V. All rights reserved.

Subcellular Electrical Measurements as a Function of Wood Moisture Content

Treesearch

Samuel L. Zelinka; José L. Colon Quintana; Samuel V. Glass; Joseph E. Jakes; Alex C. Wiedenhoeft

2015-01-01

The percolation model developed by Zelinka et al. was based upon macroscale measurements of the electrical conductivity and implicitly treats the wood material as homogenous. The transport mechanism proposed by Jakes et al. depends upon a moisture induced glass transition occurring in the hemicelluloses. This theory suggests that there are likely differences in the...

Use of prescribed fire to reduce wildfire potential

Treesearch

Robert E. Martin; J. Boone Kauffman

1989-01-01

Fires were a part of our wildlands prehistorically. Prescribed burning reduces fire hazard and potential fire behavior primarily by reducing fuel quantity and continuity. Fuel continuity should be considered on the micro scale within stands, the mid-scale among, and the macro-scale among watersheds or entire forests. Prescribed fire is only one of the tools which can...

Localized Scale Coupling and New Educational Paradigms in Multiscale Mathematics and Science

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

Ingber, Marc; Vorobieff, Peter

2014-03-14

We have experimentally demonstrated how microscale phenomena affect suspended particle behavior on the mesoscale, and how particle group behavior on the mesoscale influences the macroscale suspension behavior. Semi-analytical and numerical methods to treat flows on different scales have been developed, and a framework to combine these scale-dependent treatment has been described.

Reaction Scale and Green Chemistry: Microscale or Macroscale, Which is Greener?

ERIC Educational Resources Information Center

Duarte, Rita C. C.; Ribeiro, M. Gabriela T. C.; Machado, Adelio A. S. C.

2017-01-01

The different ways microscale and green chemistry allow reducing the deleterious impacts of chemistry on human health and the environment are discussed in terms of their different basic paradigms: green chemistry follows the ecologic paradigm and microscale the risk paradigm. A study of the synthesis of 1-bromobutane at macro- ? microscale (109.3…

Mathematical Micro-Identities: Moment-to-Moment Positioning and Learning in a Fourth-Grade Classroom

ERIC Educational Resources Information Center

Wood, Marcy B.

2013-01-01

Identity is an important tool for understanding students' participation in mathematics lessons. Researchers usually examine identity at a macro-scale: across typical classroom activity and in students' self-reports. However, learning occurs on a micro-scale: in moments during a lesson. To capture identity in these moments, I used positioning…

Selected mesostructure properties in loblolly pine from Arkansas plantations

Treesearch

David E. Kretschmann; Steven M. Cramer; Roderic Lakes; Troy Schmidt

2006-01-01

Design properties of wood are currently established at the macroscale, assuming wood to be a homogeneous orthotropic material. The resulting variability from the use of such a simplified assumption has been handled by designing with lower percentile values and applying a number of factors to account for the wide statistical variation in properties. With managed...

Landscape epidemiology of emerging infectious diseases in natural and human-altered ecosystems

Treesearch

Ross K. Meentemeyer; Sarah Haas; Tomáš Václavík

2013-01-01

A central challenge to studying emerging infectious diseases (EIDs) is a landscape dilemma: our best empirical understanding of disease dynamics occurs at local scales while pathogen invasions and management occur over broad spatial extents. The burgeoning field of landscape epidemiology integrates concepts and approaches from disease ecology with the macro-scale lens...

Slip sliding away: Graphene and diamonds prove a slippery combination |

Science.gov Websites

away: Graphene and diamonds prove a slippery combination By Jared Sagoff * May 22, 2015 Tweet creating the 'superlubricity' effect," he said. "The two materials depend on each other." At the effect could be seen not merely at the nanoscale but also at the macroscale. "A scroll can be

Sucrose Treated Carbon Nanotube and Graphene Yarns and Sheets

NASA Technical Reports Server (NTRS)

Sauti, Godfrey (Inventor); Kim, Jae-Woo (Inventor); Siochi, Emilie J. (Inventor); Wise, Kristopher E. (Inventor)

2017-01-01

Consolidated carbon nanotube or graphene yarns and woven sheets are consolidated through the formation of a carbon binder formed from the dehydration of sucrose. The resulting materials, on a macro-scale are lightweight and of a high specific modulus and/or strength. Sucrose is relatively inexpensive and readily available, and the process is therefore cost-effective.

Micro- and Macroscale Ideas of Current among Upper-Division Electrical Engineering Students

ERIC Educational Resources Information Center

Adam, Gina C.; Harlow, Danielle B.; Lord, Susan M.; Kautz, Christian H.

2017-01-01

The concept of electric current is fundamental in the study of electrical engineering (EE). Students are often exposed to this concept in their daily lives and early in middle school education. Lower-division university courses are usually limited to the study of passive electronic devices and simple electric circuits. Semiconductor physics is an…

Analysis of vibration waveforms of electromechanical response to determine piezoelectric and electrostrictive coefficients.

PubMed

Izumi, Tatsuya; Hagiwara, Manabu; Hoshina, Takuya; Takeda, Hiroaki; Tsurumi, Takaaki

2012-08-01

We developed a possible method to determine both coefficients of piezoelectricity (d) and electrostriction (M) at the same time by a waveform analysis of current and vibration velocity in the resonance state. The waveforms of the current and vibration velocity were theoretically described using the equations of motion and piezoelectric constitutive equations, considering the dissipation effect. The dissipation factor of the d coefficient and M coefficient is dielectric loss tangent tan δ. The waveforms measured in all of the ceramics, such as Pb(Zr,Ti)O(3) (PZT), Pb(Mg,Nb)O(3) (PMN), and 0.8Pb(Mg(1/3)Nb2/3)O(3)-0.2PbTiO(3) (PMN-PT), were well fitted with the calculated waveform. This fitting produced both the d and M coefficients, which agreed with those determined via the conventional methods. Moreover, the respective contributions of both piezoelectricity and electrostriction to the d value determined in the resonance-antiresonance method were clarified.

Thermodiffusion Coefficient Analysis of n-Dodecane /n-Hexane Mixture at Different Mass Fractions and Pressure Conditions

NASA Astrophysics Data System (ADS)

Lizarraga, Ion; Bou-Ali, M. Mounir; Santamaría, C.

2018-03-01

In this study, the thermodiffusion coefficient of n-dodecane/n-hexane binary mixture at 25 ∘C mean temperature was determined for several pressure conditions and mass fractions. The experimental technique used to determine the thermodiffusion coefficient was the thermograviational column of cylindrical configuration. In turn, thermophysical properties, such as density, thermal expansion, mass expansion and dynamic viscosity up to 10 MPa were also determined. The results obtained in this work showed a linear relation between the thermophysical properties and the pressure. Thermodiffusion coefficient values confirm a linear effect when the pressure increases. Additionally, a new correlation based on the thermodiffusion coefficient for n C12/n C6 binary mixture at 25 ∘C temperature for any mass fraction and pressures, which reproduces the data within the experimental error, was proposed.

Metabolic control analysis using transient metabolite concentrations. Determination of metabolite concentration control coefficients.

PubMed Central

Delgado, J; Liao, J C

1992-01-01

The methodology previously developed for determining the Flux Control Coefficients [Delgado & Liao (1992) Biochem. J. 282, 919-927] is extended to the calculation of metabolite Concentration Control Coefficients. It is shown that the transient metabolite concentrations are related by a few algebraic equations, attributed to mass balance, stoichiometric constraints, quasi-equilibrium or quasi-steady states, and kinetic regulations. The coefficients in these relations can be estimated using linear regression, and can be used to calculate the Control Coefficients. The theoretical basis and two examples are discussed. Although the methodology is derived based on the linear approximation of enzyme kinetics, it yields reasonably good estimates of the Control Coefficients for systems with non-linear kinetics. PMID:1497632

Determination of diffusion coefficients of biocides on their passage through organic resin-based renders.

PubMed

Styszko, Katarzyna; Kupiec, Krzysztof

2016-10-01

In this study the diffusion coefficients of isoproturon, diuron and cybutryn in acrylate and silicone resin-based renders were determined. The diffusion coefficients were determined using measuring concentrations of biocides in the liquid phase after being in contact with renders for specific time intervals. The mathematical solution of the transient diffusion equation for an infinite plate contacted on one side with a limited volume of water was used to calculate the diffusion coefficient. The diffusion coefficients through the acrylate render were 8.10·10(-9) m(2) s(-1) for isoproturon, 1.96·10(-9) m(2) s(-1) for diuron and 1.53·10(-9) m(2) s(-1) for cybutryn. The results for the silicone render were lower by one order of magnitude. The compounds with a high diffusion coefficient for one polymer had likewise high values for the other polymer. Copyright © 2016 Elsevier Ltd. All rights reserved.

Determination of octanol-air partition coefficients and supercooled liquid vapor pressures of PAHs as a function of temperature: Application to gas-particle partitioning in an urban atmosphere

NASA Astrophysics Data System (ADS)

Odabasi, Mustafa; Cetin, Eylem; Sofuoglu, Aysun

Octanol-air partition coefficients ( KOA) for 14 polycyclic aromatic hydrocarbons (PAHs) were determined as a function of temperature using the gas chromatographic retention time method. log KOA values at 25° ranged over six orders of magnitude, between 6.34 (acenaphthylene) and 12.59 (dibenz[ a,h]anthracene). The determined KOA values were within factor of 0.7 (dibenz[ a,h]anthracene) to 15.1 (benz[ a]anthracene) of values calculated as the ratio of octanol-water partition coefficient to dimensionless Henry's law constant. Supercooled liquid vapor pressures ( PL) of 13 PAHs were also determined using the gas chromatographic retention time technique. Activity coefficients in octanol calculated using KOA and PL ranged between 3.2 and 6.2 indicating near-ideal solution behavior. Atmospheric concentrations measured in this study in Izmir, Turkey were used to investigate the partitioning of PAHs between particle and gas-phases. Experimental gas-particle partition coefficients ( Kp) were compared to the predictions of KOA absorption and KSA (soot-air partition coefficient) models. Octanol-based absorptive partitioning model predicted lower partition coefficients especially for relatively volatile PAHs. Ratios of measured/modeled partition coefficients ranged between 1.1 and 15.5 (4.5±6.0, average±SD) for KOA model. KSA model predictions were relatively better and measured to modeled ratios ranged between 0.6 and 5.6 (2.3±2.7, average±SD).

Thermal expansion coefficient determination of polylactic acid using digital image correlation

NASA Astrophysics Data System (ADS)

Botean, Adrian-Ioan

2018-02-01

This paper aims determining the linear thermal expansion coefficient (CTE) of polylactic acid (PLA) using an optical method for measuring deformations called digital image correlation method (DIC). Because PLA is often used in making many pieces with 3D printing technology, it is opportune to know this coefficient to obtain a higher degree of precision in the construction of parts and to monitor deformations when these parts are subjected to a thermal gradient. Are used two PLA discs with 20 and 40% degree of filling. In parallel with this approach was determined the linear thermal expansion coefficient (CTE) for the copper cylinder on the surface of which are placed the two discs of PLA.

EMPIRICAL DETERMINATION OF EINSTEIN A-COEFFICIENT RATIOS OF BRIGHT [Fe II] LINES

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

Giannini, T.; Antoniucci, S.; Nisini, B.

The Einstein spontaneous rates (A-coefficients) of Fe{sup +} lines have been computed by several authors with results that differ from each other by up to 40%. Consequently, models for line emissivities suffer from uncertainties that in turn affect the determination of the physical conditions at the base of line excitation. We provide an empirical determination of the A-coefficient ratios of bright [Fe II] lines that would represent both a valid benchmark for theoretical computations and a reference for the physical interpretation of the observed lines. With the ESO-Very Large Telescope X-shooter instrument between 3000 Å and 24700 Å, we obtainedmore » a spectrum of the bright Herbig-Haro object HH 1. We detect around 100 [Fe II] lines, some of which with a signal-to-noise ratios ≥100. Among these latter lines, we selected those emitted by the same level, whose dereddened intensity ratios are direct functions of the Einstein A-coefficient ratios. From the same X-shooter spectrum, we got an accurate estimate of the extinction toward HH 1 through intensity ratios of atomic species, H I  recombination lines and H{sub 2} ro-vibrational transitions. We provide seven reliable A-coefficient ratios between bright [Fe II] lines, which are compared with the literature determinations. In particular, the A-coefficient ratios involving the brightest near-infrared lines (λ12570/λ16440 and λ13209/λ16440) are in better agreement with the predictions by the Quinet et al. relativistic Hartree-Fock model. However, none of the theoretical models predict A-coefficient ratios in agreement with all of our determinations. We also show that literature data of near-infrared intensity ratios better agree with our determinations than with theoretical expectations.« less

Accurate determination of complex materials coefficients of piezoelectric resonators.

PubMed

Du, Xiao-Hong; Wang, Qing-Ming; Uchino, Kenji

2003-03-01

This paper presents a method of accurately determining the complex piezoelectric and elastic coefficients of piezoelectric ceramic resonators from the measurement of the normalized electric admittance, Y, which is electric admittance Y of piezoelectric resonator normalized by the angular frequency omega. The coefficients are derived from the measurements near three special frequency points that correspond to the maximum and the minimum normalized susceptance (B) and the maximum normalized conductance (G). The complex elastic coefficient is determined from the frequencies at these points, and the real and imaginary parts of the piezoelectric coefficient are related to the derivative of the susceptance with respect to the frequency and the asymmetry of the conductance, respectively, near the maximum conductance point. The measurements for some lead zirconate titanate (PZT) based ceramics are used as examples to demonstrate the calculation and experimental procedures and the comparisons with the standard methods.

Single-image diffusion coefficient measurements of proteins in free solution.

PubMed

Zareh, Shannon Kian; DeSantis, Michael C; Kessler, Jonathan M; Li, Je-Luen; Wang, Y M

2012-04-04

Diffusion coefficient measurements are important for many biological and material investigations, such as studies of particle dynamics and kinetics, and size determinations. Among current measurement methods, single particle tracking (SPT) offers the unique ability to simultaneously obtain location and diffusion information about a molecule while using only femtomoles of sample. However, the temporal resolution of SPT is limited to seconds for single-color-labeled samples. By directly imaging three-dimensional diffusing fluorescent proteins and studying the widths of their intensity profiles, we were able to determine the proteins' diffusion coefficients using single protein images of submillisecond exposure times. This simple method improves the temporal resolution of diffusion coefficient measurements to submilliseconds, and can be readily applied to a range of particle sizes in SPT investigations and applications in which diffusion coefficient measurements are needed, such as reaction kinetics and particle size determinations. Copyright © 2012 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Inter-annual and spatial variability of Hamon potential evapotranspiration model coefficients

USGS Publications Warehouse

McCabe, Gregory J.; Hay, Lauren E.; Bock, Andy; Markstrom, Steven L.; Atkinson, R. Dwight

2015-01-01

Monthly calibrated values of the Hamon PET coefficient (C) are determined for 109,951 hydrologic response units (HRUs) across the conterminous United States (U.S.). The calibrated coefficient values are determined by matching calculated mean monthly Hamon PET to mean monthly free-water surface evaporation. For most locations and months the calibrated coefficients are larger than the standard value reported by Hamon. The largest changes in the coefficients were for the late winter/early spring and fall months, whereas the smallest changes were for the summer months. Comparisons of PET computed using the standard value of C and computed using calibrated values of C indicate that for most of the conterminous U.S. PET is underestimated using the standard Hamon PET coefficient, except for the southeastern U.S.

Geopotential coefficient determination and the gravimetric boundary value problem: A new approach

NASA Technical Reports Server (NTRS)

Sjoeberg, Lars E.

1989-01-01

New integral formulas to determine geopotential coefficients from terrestrial gravity and satellite altimetry data are given. The formulas are based on the integration of data over the non-spherical surface of the Earth. The effect of the topography to low degrees and orders of coefficients is estimated numerically. Formulas for the solution of the gravimetric boundary value problem are derived.

Determination of air-loop volume and radon partition coefficient for measuring radon in water sample.

PubMed

Lee, Kil Yong; Burnett, William C

A simple method for the direct determination of the air-loop volume in a RAD7 system as well as the radon partition coefficient was developed allowing for an accurate measurement of the radon activity in any type of water. The air-loop volume may be measured directly using an external radon source and an empty bottle with a precisely measured volume. The partition coefficient and activity of radon in the water sample may then be determined via the RAD7 using the determined air-loop volume. Activity ratios instead of absolute activities were used to measure the air-loop volume and the radon partition coefficient. In order to verify this approach, we measured the radon partition coefficient in deionized water in the temperature range of 10-30 °C and compared the values to those calculated from the well-known Weigel equation. The results were within 5 % variance throughout the temperature range. We also applied the approach for measurement of the radon partition coefficient in synthetic saline water (0-75 ppt salinity) as well as tap water. The radon activity of the tap water sample was determined by this method as well as the standard RAD-H 2 O and BigBottle RAD-H 2 O. The results have shown good agreement between this method and the standard methods.

Partition coefficients of organic compounds in lipid-water systems and correlations with fish bioconcentration factors

USGS Publications Warehouse

Chiou, C.T.

1985-01-01

Triolein-water partition coefficients (KtW) have been determined for 38 slightly water-soluble organic compounds, and their magnitudes have been compared with the corresponding octanol-water partition coefficients (KOW). In the absence of major solvent-solute interaction effects in the organic solvent phase, the conventional treatment (based on Raoult's law) predicts sharply lower partition coefficients for most of the solutes in triolein because of its considerably higher molecular weight, whereas the Flory-Huggins treatment predicts higher partition coefficients with triolein. The data are in much better agreement with the Flory-Huggins model. As expected from the similarity in the partition coefficients, the water solubility (which was previously found to be the major determinant of the KOW) is also the major determinant for the Ktw. When the published BCF values (bioconcentration factors) of organic compounds in fish are based on the lipid content rather than on total mass, they are approximately equal to the Ktw, which suggests at least near equilibrium for solute partitioning between water and fish lipid. The close correlation between Ktw and Kow suggests that Kow is also a good predictor for lipid-water partition coefficients and bioconcentration factors.

Quantitative detection of benzoyl peroxide in wheat flour by line-scan macro-scale Raman chemical imaging

USDA-ARS?s Scientific Manuscript database

A high-throughput Raman chemical imaging method was developed for direct inspection of benzoyl peroxide (BPO) mixed in wheat flour. A 5 W 785 nm line laser (240 mm long and 1 mm wide) was used as a Raman excitation source in a push-broom Raman imaging system. Hyperspectral Raman images were collecte...

Landscape correlates of forest plant invasions: A high-resolution analysis across the eastern United States

Treesearch

Kurt Riitters; Kevin Potter; Basil V. Iannone; Christopher Oswalt; Songlin Fei; Qinfeng Guo

2017-01-01

Aim: Invasive species occurrence is often related to the anthropogenic context of a given area. Quantifying the effects of roads is of particular interest as roads are a major vector for invasion. Our objective was to further quantify the effects of roads on forest plant invasion through a macroscale, high-resolution investigation to assist...

Dynamics of cracks in disordered materials

NASA Astrophysics Data System (ADS)

Bonamy, Daniel

2017-05-01

Predicting when rupture occurs or cracks progress is a major challenge in numerous fields of industrial, societal, and geophysical importance. It remains largely unsolved: stress enhancement at cracks and defects, indeed, makes the macroscale dynamics extremely sensitive to the microscale material disorder. This results in giant statistical fluctuations and non-trivial behaviors upon upscaling, difficult to assess via the continuum approaches of engineering.

Separation of Bacterial Spores from Flowing Water in Macro-Scale Cavities by Ultrasonic Standing Waves

DTIC Science & Technology

2010-06-01

stained by adding a small amount of Malachite Green to the sample in water, heating for about 10 min. to 80-85°C, and then repeatedly washing the...stacked in planes about 700 microns apart in the resonator. The spores have been dyed with Malachite Green to make them more clearly visible. The

Macroscale and Microscale Structural Characterization of Cephalopod Chromatophores

DTIC Science & Technology

2011-04-01

ABSTRACT Cephalopods, the class of mollusks that include squid, cuttlefish, and octopus , possess skin with dynamic adaptable appearance. Their unique...Cephalopods, the class of mollusks that include squid, cuttlefish, and octopus , possess skin with dynamic adaptable appearance. Their unique ability to...Cephalopoda including cuttlefish, octopus , and squid (Hanlon, 2007; Hanlon and Messenger, 1996; Hanlon, 1982; Hanlon and Messenger, 1988). These

Piezoelectric Energy Harvesting: A Green and Clean Alternative for Sustained Power Production

ERIC Educational Resources Information Center

Cook-Chennault, Kimberly Ann; Thambi, Nithya; Bitetto, Mary Anne; Hameyie, E. B.

2008-01-01

Providing efficient and clean power is a challenge for devices that range from the micro to macro in scale. Although there has been significant progress in the development of micro-, meso-, and macro-scale power supplies and technologies, realization of many devices is limited by the inability of power supplies to scale with the diminishing sizes…

Understanding micro-processes of institutionalization: stewardship contracting and national forest management

Treesearch

Cassandra Moseley; Susan Charnley

2014-01-01

This paper examines micro-processes of institutionalization, using the case of stewardship contracting within the US Forest Service. Our basic premise is that, until a new policy becomes an everyday practice among local actors, it will not become institutionalized at the macro-scale. We find that micro-processes of institutionalization are driven by a mixture of large-...

Microhabitats in the tropics buffer temperature in a globally coherent manner.

PubMed

Scheffers, Brett R; Evans, Theodore A; Williams, Stephen E; Edwards, David P

2014-12-01

Vegetated habitats contain a variety of fine-scale features that can ameliorate temperate extremes. These buffered microhabitats may be used by species to evade extreme weather and novel climates in the future. Yet, the magnitude and extent of this buffering on a global scale remains unknown. Across all tropical continents and using 36 published studies, we assessed temperature buffering from within microhabitats across various habitat strata and structures (e.g. soil, logs, epiphytes and tree holes) and compared them to non-buffered macro-scale ambient temperatures (the thermal control). Microhabitats buffered temperature by 3.9 °C and reduced maximum temperatures by 3.5 °C. Buffering was most pronounced in tropical lowlands where temperatures were most variable. With the expected increase in extreme weather events, microhabitats should provide species with a local layer of protection that is not captured by traditional climate assessments, which are typically derived from macro-scale temperatures (e.g. satellites). Our data illustrate the need for a next generation of predictive models that account for species' ability to move within microhabitats to exploit favourable buffered microclimates. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

Linking microstructural evolution and macro-scale friction behavior in metals [Predicting the friction behavior of metals using a microstructural evolution model

DOE PAGES

Argibay, N.; Chandross, M.; Cheng, S.; ...

2016-11-21

A correlation is established between the macro-scale friction regimes of metals and a transition between two dominant atomistic mechanisms of deformation. Metals tend to exhibit bi-stable friction behavior—low and converging or high and diverging. These general trends in behavior are shown to be largely explained using a simplified model based on grain size evolution, as a function of contact stress and temperature, and are demonstrated for self-mated pure copper and gold sliding contacts. Specifically, the low-friction regime (where µ < 0.5) is linked to the formation of ultra-nanocrystalline surface films (10–20 nm), driving toward shear accommodation by grain boundary sliding.more » Above a critical combination of stress and temperature—demonstrated to be a material property—shear accommodation transitions to dislocation dominated plasticity and high friction, with µ > 0.5. We utilize a combination of experimental and computational methods to develop and validate the proposed structure–property relationship. As a result, this quantitative framework provides a shift from phenomenological to mechanistic and predictive fundamental understanding of friction for crystalline materials, including engineering alloys.« less

How the morphology of dusts influences packing density in small solar system bodies

NASA Astrophysics Data System (ADS)

Zangmeister, C.; Radney, J. G.; Zachariah, M. R.

2014-12-01

Large planetary seedlings, comets, and nanoscale soot particles are made from rigid, aggregated subunits that are compacted under low compression into larger structures spanning over 10 orders of magnitude in dimensional space. Here, we demonstrate that the packing density (Φf) of compacted rigid aggregates is independent of spatial scale for systems under weak compaction, a regime that includes small solar system bodies. The Φf of rigid aggregated structures across 6 orders of magnitude were measured using nanoscale spherical soot aerosol composed of aggregates with ≈ 17 nm monomeric subunits and aggregates made from uniform monomeric 6 mm spherical subunits at the macroscale. We find Φf = 0.36 ± 0.02 at both the nano- and macroscale. These values are remarkably similar to qf observed for comet nuclei and measured values of other rigid aggregated systems across a wide variety of spatial and formative conditions. We present a packing model that incorporates the aggregate morphology and show that Φf is independent of both monomer and aggregate size. These observations suggest thatqf of rigid aggregates is independent of spatial dimension across varied formative conditions ranging from interstellar space to pharmaceutical manufacturing.

Causal Scale of Rotors in a Cardiac System

NASA Astrophysics Data System (ADS)

Ashikaga, Hiroshi; Prieto-Castrillo, Francisco; Kawakatsu, Mari; Dehghani, Nima

2018-04-01

Rotors of spiral waves are thought to be one of the potential mechanisms that maintain atrial fibrillation (AF). However, disappointing clinical outcomes of rotor mapping and ablation to eliminate AF raise a serious doubt on rotors as a macro-scale mechanism that causes the micro-scale behavior of individual cardiomyocytes to maintain spiral waves. In this study, we aimed to elucidate the causal relationship between rotors and spiral waves in a numerical model of cardiac excitation. To accomplish the aim, we described the system in a series of spatiotemporal scales by generating a renormalization group, and evaluated the causal architecture of the system by quantifying causal emergence. Causal emergence is an information-theoretic metric that quantifies emergence or reduction between micro- and macro-scale behaviors of a system by evaluating effective information at each scale. We found that the cardiac system with rotors has a spatiotemporal scale at which effective information peaks. A positive correlation between the number of rotors and causal emergence was observed only up to the scale of peak causation. We conclude that rotors are not the universal mechanism to maintain spiral waves at all spatiotemporal scales. This finding may account for the conflicting benefit of rotor ablation in clinical studies.

Global late Quaternary megafauna extinctions linked to humans, not climate change.

PubMed

Sandom, Christopher; Faurby, Søren; Sandel, Brody; Svenning, Jens-Christian

2014-07-22

The late Quaternary megafauna extinction was a severe global-scale event. Two factors, climate change and modern humans, have received broad support as the primary drivers, but their absolute and relative importance remains controversial. To date, focus has been on the extinction chronology of individual or small groups of species, specific geographical regions or macroscale studies at very coarse geographical and taxonomic resolution, limiting the possibility of adequately testing the proposed hypotheses. We present, to our knowledge, the first global analysis of this extinction based on comprehensive country-level data on the geographical distribution of all large mammal species (more than or equal to 10 kg) that have gone globally or continentally extinct between the beginning of the Last Interglacial at 132,000 years BP and the late Holocene 1000 years BP, testing the relative roles played by glacial-interglacial climate change and humans. We show that the severity of extinction is strongly tied to hominin palaeobiogeography, with at most a weak, Eurasia-specific link to climate change. This first species-level macroscale analysis at relatively high geographical resolution provides strong support for modern humans as the primary driver of the worldwide megafauna losses during the late Quaternary.

Optimal lattice-structured materials

DOE PAGES

Messner, Mark C.

2016-07-09

This paper describes a method for optimizing the mesostructure of lattice-structured materials. These materials are periodic arrays of slender members resembling efficient, lightweight macroscale structures like bridges and frame buildings. Current additive manufacturing technologies can assemble lattice structures with length scales ranging from nanometers to millimeters. Previous work demonstrates that lattice materials have excellent stiffness- and strength-to-weight scaling, outperforming natural materials. However, there are currently no methods for producing optimal mesostructures that consider the full space of possible 3D lattice topologies. The inverse homogenization approach for optimizing the periodic structure of lattice materials requires a parameterized, homogenized material model describingmore » the response of an arbitrary structure. This work develops such a model, starting with a method for describing the long-wavelength, macroscale deformation of an arbitrary lattice. The work combines the homogenized model with a parameterized description of the total design space to generate a parameterized model. Finally, the work describes an optimization method capable of producing optimal mesostructures. Several examples demonstrate the optimization method. One of these examples produces an elastically isotropic, maximally stiff structure, here called the isotruss, that arguably outperforms the anisotropic octet truss topology.« less

Global late Quaternary megafauna extinctions linked to humans, not climate change

PubMed Central

Sandom, Christopher; Faurby, Søren; Sandel, Brody; Svenning, Jens-Christian

2014-01-01

The late Quaternary megafauna extinction was a severe global-scale event. Two factors, climate change and modern humans, have received broad support as the primary drivers, but their absolute and relative importance remains controversial. To date, focus has been on the extinction chronology of individual or small groups of species, specific geographical regions or macroscale studies at very coarse geographical and taxonomic resolution, limiting the possibility of adequately testing the proposed hypotheses. We present, to our knowledge, the first global analysis of this extinction based on comprehensive country-level data on the geographical distribution of all large mammal species (more than or equal to 10 kg) that have gone globally or continentally extinct between the beginning of the Last Interglacial at 132 000 years BP and the late Holocene 1000 years BP, testing the relative roles played by glacial–interglacial climate change and humans. We show that the severity of extinction is strongly tied to hominin palaeobiogeography, with at most a weak, Eurasia-specific link to climate change. This first species-level macroscale analysis at relatively high geographical resolution provides strong support for modern humans as the primary driver of the worldwide megafauna losses during the late Quaternary. PMID:24898370

Detecting benzoyl peroxide in wheat flour by line-scan macro-scale Raman chemical imaging

NASA Astrophysics Data System (ADS)

Qin, Jianwei; Kim, Moon S.; Chao, Kuanglin; Gonzalez, Maria; Cho, Byoung-Kwan

2017-05-01

Excessive use of benzoyl peroxide (BPO, a bleaching agent) in wheat flour can destroy flour nutrients and cause diseases to consumers. A macro-scale Raman chemical imaging method was developed for direct detection of BPO mixed in the wheat flour. A 785 nm line laser was used in a line-scan Hyperspectral Raman imaging system. Raman images were collected from wheat flour mixed with BPO at eight concentrations (w/w) from 50 to 6,400 ppm. A sample holder (150×100×2 mm3) was used to present a thin layer (2 mm thick) of the powdered sample for image acquisition. A baseline correction method was used to correct the fluctuating fluorescence signals from the wheat flour. To isolate BPO particles from the flour background, a simple thresholding method was applied to the single-band fluorescence-free images at a unique Raman peak wavenumber (i.e., 1001 cm-1) preselected for the BPO detection. Chemical images were created to detect and map the BPO particles. Limit of detection for the BPO was estimated in the order of 50 ppm, which is on the same level with regulatory standards.

An Experimental Investigation into Additive Manufacturing-Induced Residual Stresses in 316L Stainless Steel

NASA Astrophysics Data System (ADS)

Wu, Amanda S.; Brown, Donald W.; Kumar, Mukul; Gallegos, Gilbert F.; King, Wayne E.

2014-12-01

Additive manufacturing (AM) technology provides unique opportunities for producing net-shape geometries at the macroscale through microscale processing. This level of control presents inherent trade-offs necessitating the establishment of quality controls aimed at minimizing undesirable properties, such as porosity and residual stresses. Here, we perform a parametric study into the effects of laser scanning pattern, power, speed, and build direction in powder bed fusion AM on residual stress. In an effort to better understand the factors influencing macroscale residual stresses, a destructive surface residual stress measurement technique (digital image correlation in conjunction with build plate removal and sectioning) has been coupled with a nondestructive volumetric evaluation method ( i.e., neutron diffraction). Good agreement between the two measurement techniques is observed. Furthermore, a reduction in residual stress is obtained by decreasing scan island size, increasing island to wall rotation to 45 deg, and increasing applied energy per unit length (laser power/speed). Neutron diffraction measurements reveal that, while in-plane residual stresses are affected by scan island rotation, axial residual stresses are unchanged. We attribute this in-plane behavior to misalignment between the greatest thermal stresses (scan direction) and largest part dimension.

An Assessment of macro-scale in situ Raman and ultraviolet-induced fluorescence spectroscopy for rapid characterization of frozen peat and ground ice

NASA Astrophysics Data System (ADS)

Laing, Janelle R.; Robichaud, Hailey C.; Cloutis, Edward A.

2016-04-01

The search for life on other planets is an active area of research. Many of the likeliest planetary bodies, such as Europa, Enceladus, and Mars are characterized by cold surface environments and ice-rich terrains. Both Raman and ultraviolet-induced fluorescence (UIF) spectroscopies have been proposed as promising tools for the detection of various kinds of bioindicators in these environments. We examined whether macro-scale Raman and UIF spectroscopy could be applied to the analysis of unprocessed terrestrial frozen peat and clear ground ice samples for detection of bioindicators. It was found that this approach did not provide unambiguous detection of bioindicators, likely for a number of reasons, particularly due to strong broadband induced fluorescence. Other contributing factors may include degradation of organic matter in frozen peat to the point that compound-specific emitted fluorescence or Raman peaks were not resolvable. Our study does not downgrade the utility of either UIF or Raman spectroscopy for astrobiological investigations (which has been demonstrated in previous studies), but does suggest that the choice of instrumentation, operational conditions and sample preparation are important factors in ensuring the success of these techniques.

Effective equations governing an active poroelastic medium

PubMed Central

2017-01-01

In this work, we consider the spatial homogenization of a coupled transport and fluid–structure interaction model, to the end of deriving a system of effective equations describing the flow, elastic deformation and transport in an active poroelastic medium. The ‘active’ nature of the material results from a morphoelastic response to a chemical stimulant, in which the growth time scale is strongly separated from other elastic time scales. The resulting effective model is broadly relevant to the study of biological tissue growth, geophysical flows (e.g. swelling in coals and clays) and a wide range of industrial applications (e.g. absorbant hygiene products). The key contribution of this work is the derivation of a system of homogenized partial differential equations describing macroscale growth, coupled to transport of solute, that explicitly incorporates details of the structure and dynamics of the microscopic system, and, moreover, admits finite growth and deformation at the pore scale. The resulting macroscale model comprises a Biot-type system, augmented with additional terms pertaining to growth, coupled to an advection–reaction–diffusion equation. The resultant system of effective equations is then compared with other recent models under a selection of appropriate simplifying asymptotic limits. PMID:28293138

Determination of the Frictional Behavior at Compaction of Powder Materials Consisting of Spray-Dried Granules

NASA Astrophysics Data System (ADS)

Staf, Hjalmar; Olsson, Erik; Lindskog, Per; Larsson, Per-Lennart

2018-03-01

The frictional behavior during powder compaction and ejection is studied using an instrumented die with eight radial sensors. The average friction over the total powder pillar is used to determine a local friction coefficient at each sensor. By comparing forces at compaction with forces at ejection, it can be shown that the Coulomb's friction coefficient can be described as a function of normal pressure. Also stick phenomena has been investigated in order to assess its influence on the determination of the local friction coefficient.

APPLICATIONS OF LASERS AND OTHER TOPICS IN QUANTUM ELECTRONICS: Determination of reflection coefficients of mirrors using a mode-locked laser and a dissector

NASA Astrophysics Data System (ADS)

Apolonskiĭ, A. A.; Vinokurov, Nikolai A.; Zinin, É. I.; Ishchenko, P. I.; Kuklin, A. E.; Popik, V. M.; Sokolov, A. S.; Shchebetov, S. D.

1992-09-01

A method is described for determining the reflection coefficients of high-density mirrors, based on the use of a mode-locked laser and a sensitive detector with a fast time resolution. The laser light is transmitted through an optical resonator formed by the investigated mirrors. The measured delay in the decay of a light pulse gives the damping time of the optical resonator. This is related to its Q factor determined by the reflection coefficients of its mirrors.

Determination of the hypersonic-continuum/rarefied-flow drag coefficient of the Viking lander capsule 1 aeroshell from flight data

NASA Technical Reports Server (NTRS)

Blanchard, R. C.; Walberg, G. D.

1980-01-01

Results of an investigation to determine the full scale drag coefficient in the high speed, low density regime of the Viking lander capsule 1 entry vehicle are presented. The principal flight data used in the study were from onboard pressure, mass spectrometer, and accelerometer instrumentation. The hypersonic continuum flow drag coefficient was unambiguously obtained from pressure and accelerometer data; the free molecule flow drag coefficient was indirectly estimated from accelerometer and mass spectrometer data; the slip flow drag coefficient variation was obtained from an appropriate scaling of existing experimental sphere data. Comparison of the flight derived drag hypersonic continuum flow regime except for Reynolds numbers from 1000 to 100,000, for which an unaccountable difference between flight and ground test data of about 8% existed. The flight derived drag coefficients in the free molecule flow regime were considerably larger than those previously calculated with classical theory. The general character of the previously determined temperature profile was not changed appreciably by the results of this investigation; however, a slightly more symmetrical temperature variation at the highest altitudes was obtained.

Determination of absorption coefficient of nanofluids with unknown refractive index from reflection and transmission spectra

NASA Astrophysics Data System (ADS)

Kim, Joong Bae; Lee, Seungyoon; Lee, Kyungeun; Lee, Ikjin; Lee, Bong Jae

2018-07-01

It has been shown that the absorption coefficient of a nanofluid can be actively tuned by changing material, size, shape, and concentration of the nanoparticle suspension. In applications of engineered nanofluids for the direct absorption of solar radiation, it is important to experimentally characterize the absorption coefficient of nanofluids in the solar spectrum. If the refractive index of the base fluid (i.e., the solution without nanoparticles) is known a priori, the absorption coefficient of nanofluids can be easily determined from the transmission spectrum. However, if the refractive index of the base fluid is not known, it is not straightforward to extract the absorption coefficient solely from the transmission spectrum. The present work aims to develop an analytical method of determining the absorption coefficient of nanofluids with unknown refractive index by measuring both reflection and transmission spectra. The proposed method will be validated with deionized water, and the effect of measurement uncertainty will be carefully examined. Finally, the general applicability of the proposed method will also be demonstrated for Therminol VP-1 as well as the Therminol VP-1 - graphite nanofluid.

Determining the Intermolecular Potential Energy in a Gas: A Physical Chemistry Experiment

ERIC Educational Resources Information Center

Olbregts, J.; Walgraeve, J. P.

1976-01-01

Describes an experiment in which gas viscosity coefficients over a large temperature range are used to determine the parameters of the intermolecular potential energy and other properties such as virial coefficients. (MLH)

An experimental determination of the drag coefficient of a Mens 8+ racing shell.

PubMed

Buckmann, James G; Harris, Samuel D

2014-01-01

This study centered around an experimental analysis of a Mens Lightweight Eight racing shell and, specifically, determining an approximation for the drag coefficient. A testing procedure was employed that used a Global Positioning System (GPS) unit in order to determine the acceleration and drag force on the shell, and through calculations yield a drag coefficient. The testing was run over several days in numerous conditions, and a 95% confidence interval was established to capture the results. The results obtained, over these varying trials, maintained a successful level of consistency. The significance of this study transcends the determination an approximation for the drag coefficient of the racing shell; it defined a successful means of quantifying performance of the shell itself. The testing procedures outlined in the study represent a uniform means of evaluating the factors that influence drag on the shell, and thus influence speed.

Determination of Orbiter and Carrier Aerodynamic Coefficients from Load Cell Measurements

NASA Technical Reports Server (NTRS)

Glenn, G. M.

1976-01-01

A method of determining orbiter and carrier total aerodynamic coefficients from load cell measurements is required to support the inert and the captive active flights of the ALT program. A set of equations expressing the orbiter and carrier total aerodynamic coefficients in terms of the load cell measurements, the sensed dynamics of the Boeing 747 (carrier) aircraft, and the relative geometry of the orbiter/carrier is derived.

[Determination of the error of aerosol extinction coefficient measured by DOAS].

PubMed

Si, Fu-qi; Liu, Jian-guo; Xie, Pin-hua; Zhang, Yu-jun; Wang, Mian; Liu, Wen-qing; Hiroaki, Kuze; Liu, Cheng; Nobuo, Takeuchi

2006-10-01

The method of defining the error of aerosol extinction coefficient measured by differential optical absorption spectroscopy (DOAS) is described. Some factors which could bring errors to result, such as variation of source, integral time, atmospheric turbulence, calibration of system parameter, displacement of system, and back scattering of particles, are analyzed. The error of aerosol extinction coefficient, 0.03 km(-1), is determined by theoretical analysis and practical measurement.

Temperature effects on diffusion coefficient for 6-gingerol and 6-shogaol in subcritical water extraction

NASA Astrophysics Data System (ADS)

Ilia Anisa, Nor; Azian, Noor; Sharizan, Mohd; Iwai, Yoshio

2014-04-01

6-gingerol and 6-shogaol are the main constituents as anti-inflammatory or bioactive compounds from zingiber officinale Roscoe. These bioactive compounds have been proven for inflammatory disease, antioxidatives and anticancer. The effect of temperature on diffusion coefficient for 6-gingerol and 6-shogaol were studied in subcritical water extraction. The diffusion coefficient was determined by Fick's second law. By neglecting external mass transfer and solid particle in spherical form, a linear portion of Ln (1-(Ct/Co)) versus time was plotted in determining the diffusion coefficient. 6-gingerol obtained the higher yield at 130°C with diffusion coefficient of 8.582x10-11 m2/s whilst for 6-shogaol, the higher yield and diffusion coefficient at 170°C and 19.417 × 10-11 m2/s.

Quantitative determination of radio-opacity: equivalence of digital and film X-ray systems.

PubMed

Nomoto, R; Mishima, A; Kobayashi, K; McCabe, J F; Darvell, B W; Watts, D C; Momoi, Y; Hirano, S

2008-01-01

To evaluate the equivalence of a digital X-ray system (DenOptix) to conventional X-ray film in terms of the measured radio-opacity of known filled-resin materials and the suitability of attenuation coefficient for radio-opacity determination. Discs of five thicknesses (0.5-2.5mm) and step-wedges of each of three composite materials of nominal aluminum-equivalence of 50%, 200% and 450% were used. X-ray images of a set of discs (or step-wedge), an aluminum step-wedge, and a lead block were taken at 65 kV and 10 mA at a focus-film distance of 400 mm for 0.15s and 1.6s using an X-ray film or imaging plate. Radio-opacity was determined as equivalent aluminum thickness and attenuation coefficient. The logarithm of the individual optical density or gray scale value, corrected for background, was plotted against thickness, and the attenuation coefficient determined from the slope. The method of ISO 4049 was used for equivalent aluminum thickness. The equivalent aluminum thickness method is not suitable for materials of low radio-opacity, while the attenuation coefficient method could be used for all without difficulty. The digital system gave attenuation coefficients of greater precision than did film, but the use of automatic gain control (AGC) distorted the outcome unusably. Attenuation coefficient is a more precise and generally applicable approach to the determination of radio-opacity. The digital system was equivalent to film but with less noise. The use of AGC is inappropriate for such determinations.

Aramid nanofiber-functionalized graphene nanosheets for polymer reinforcement

NASA Astrophysics Data System (ADS)

Fan, Jinchen; Shi, Zixing; Zhang, Lu; Wang, Jialiang; Yin, Jie

2012-10-01

Aramid macroscale fibers, also called Kevlar fibers, exhibit extremely high mechanical performance. Previous studies have demonstrated that bulk aramid macroscale fibers can be effectively split into aramid nanofibers (ANFs) by dissolution in dimethylsulfoxide (DMSO) in the presence of potassium hydroxide (KOH). In this paper, we first introduced the ANFs into the structure of graphene nanosheets through non-covalent functionalization through π-π stacking interactions. Aramid nanofiber-functionalized graphene sheets (ANFGS) were successfully obtained by adding the graphene oxide (GO)/DMSO dispersion into the ANFs/DMSO solution followed by reduction with hydrazine hydrate. The ANFGS, with ANFs absorbed on the surface of the graphene nanosheets, can be easily exfoliated and dispersed in N-methyl-2-pyrrolidone (NMP). Through a combination of these two ultra-strong materials, ANFs and graphene nanosheets (GS), the resultant ANFGS can act as novel nanofillers for polymer reinforcement. We used the ANFGS as an additive for reinforcing the mechanical properties of poly(methyl methacrylate) (PMMA). With a loading of 0.7 wt% of the ANFGS, the tensile strength and Young's modulus of the ANFGS/PMMA composite film approached 63.2 MPa and 3.42 GPa, which are increases of ~84.5% and ~70.6%, respectively. The thermal stabilities of ANFGS/PMMA composite films were improved by the addition of ANFGS. Additionally, the transparencies of the ANFGS/PMMA composite films have a degree of UV-shielding due to the ultraviolet light absorption of the ANFs in the ANFGS.Aramid macroscale fibers, also called Kevlar fibers, exhibit extremely high mechanical performance. Previous studies have demonstrated that bulk aramid macroscale fibers can be effectively split into aramid nanofibers (ANFs) by dissolution in dimethylsulfoxide (DMSO) in the presence of potassium hydroxide (KOH). In this paper, we first introduced the ANFs into the structure of graphene nanosheets through non-covalent functionalization through π-π stacking interactions. Aramid nanofiber-functionalized graphene sheets (ANFGS) were successfully obtained by adding the graphene oxide (GO)/DMSO dispersion into the ANFs/DMSO solution followed by reduction with hydrazine hydrate. The ANFGS, with ANFs absorbed on the surface of the graphene nanosheets, can be easily exfoliated and dispersed in N-methyl-2-pyrrolidone (NMP). Through a combination of these two ultra-strong materials, ANFs and graphene nanosheets (GS), the resultant ANFGS can act as novel nanofillers for polymer reinforcement. We used the ANFGS as an additive for reinforcing the mechanical properties of poly(methyl methacrylate) (PMMA). With a loading of 0.7 wt% of the ANFGS, the tensile strength and Young's modulus of the ANFGS/PMMA composite film approached 63.2 MPa and 3.42 GPa, which are increases of ~84.5% and ~70.6%, respectively. The thermal stabilities of ANFGS/PMMA composite films were improved by the addition of ANFGS. Additionally, the transparencies of the ANFGS/PMMA composite films have a degree of UV-shielding due to the ultraviolet light absorption of the ANFs in the ANFGS. Electronic supplementary information (ESI) available. See DOI: 10.1039/c2nr31907a

EXPERIMENTAL INVESTIGATION OF RELATIVE PERMEABILITY UPSCALING FROM THE MICRO-SCALE TO THE MACRO-SCALE

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

JiangTao Cheng; Ping Yu; William Headley

2001-12-01

The principal challenge of upscaling techniques for multi-phase fluid dynamics in porous media is to determine which properties on the micro-scale can be used to predict macroscopic flow and spatial distribution of phases at core- and field-scales. The most notable outcome of recent theories is the identification of interfacial areas per volume for multiple phases as a fundamental parameter that determines much of the multi-phase properties of the porous medium. A formal program of experimental research was begun to directly test upscaling theories in fluid flow through porous media by comparing measurements of relative permeability and capillary-saturation with measurements ofmore » interfacial area per volume. During this reporting period, we have shown experimentally and theoretically that the optical coherence imaging system is optimized for sandstone. The measurement of interfacial area per volume (IAV), capillary pressure and saturation in two dimensional micro-models structures that are statistically similar to real porous media has shown the existence of a unique relationship among these hydraulic parameters. The measurement of interfacial area per volume on a three-dimensional natural sample, i.e., sandstone, has the same length-scale as the values of IAV determined for the two-dimensional micro-models.« less

Using the Coefficient of Determination "R"[superscript 2] to Test the Significance of Multiple Linear Regression

ERIC Educational Resources Information Center

Quinino, Roberto C.; Reis, Edna A.; Bessegato, Lupercio F.

2013-01-01

This article proposes the use of the coefficient of determination as a statistic for hypothesis testing in multiple linear regression based on distributions acquired by beta sampling. (Contains 3 figures.)

Determinig the Shape Coefficient A of Groove on the Pen for the Shaft

NASA Astrophysics Data System (ADS)

Křístek, Ivo; Havlík, Jiří; Mosler, Václav; Daniš, Igor

2017-12-01

This article focuses on creating a diagram for determining the shape coefficient α for a tongue groove on the shaft. Experimental determination of curve diagrams by comparing diagrams and monograms used using FEM calculations.

A Maximum Likelihood Approach to Determine Sensor Radiometric Response Coefficients for NPP VIIRS Reflective Solar Bands

NASA Technical Reports Server (NTRS)

Lei, Ning; Chiang, Kwo-Fu; Oudrari, Hassan; Xiong, Xiaoxiong

2011-01-01

Optical sensors aboard Earth orbiting satellites such as the next generation Visible/Infrared Imager/Radiometer Suite (VIIRS) assume that the sensors radiometric response in the Reflective Solar Bands (RSB) is described by a quadratic polynomial, in relating the aperture spectral radiance to the sensor Digital Number (DN) readout. For VIIRS Flight Unit 1, the coefficients are to be determined before launch by an attenuation method, although the linear coefficient will be further determined on-orbit through observing the Solar Diffuser. In determining the quadratic polynomial coefficients by the attenuation method, a Maximum Likelihood approach is applied in carrying out the least-squares procedure. Crucial to the Maximum Likelihood least-squares procedure is the computation of the weight. The weight not only has a contribution from the noise of the sensor s digital count, with an important contribution from digitization error, but also is affected heavily by the mathematical expression used to predict the value of the dependent variable, because both the independent and the dependent variables contain random noise. In addition, model errors have a major impact on the uncertainties of the coefficients. The Maximum Likelihood approach demonstrates the inadequacy of the attenuation method model with a quadratic polynomial for the retrieved spectral radiance. We show that using the inadequate model dramatically increases the uncertainties of the coefficients. We compute the coefficient values and their uncertainties, considering both measurement and model errors.

A Chemical Alphabet for Macromolecular Communications.

PubMed

Giannoukos, Stamatios; McGuiness, Daniel Tunç; Marshall, Alan; Smith, Jeremy; Taylor, Stephen

2018-06-08

Molecular communications in macroscale environments is an emerging field of study driven by the intriguing prospect of sending coded information over olfactory networks. For the first time, this article reports two signal modulation techniques (on-off keying-OOK, and concentration shift keying-CSK) which have been used to encode and transmit digital information using odors over distances of 1-4 m. Molecular transmission of digital data was experimentally investigated for the letter "r" with a binary value of 01110010 (ASCII) for a gas stream network channel (up to 4 m) using mass spectrometry (MS) as the main detection-decoding system. The generation and modulation of the chemical signals was achieved using an automated odor emitter (OE) which is based on the controlled evaporation of a chemical analyte and its diffusion into a carrier gas stream. The chemical signals produced propagate within a confined channel to reach the demodulator-MS. Experiments were undertaken for a range of volatile organic compounds (VOCs) with different diffusion coefficient values in air at ambient conditions. Representative compounds investigated include acetone, cyclopentane, and n-hexane. For the first time, the binary code ASCII (American Standard Code for Information Interchange) is combined with chemical signaling to generate a molecular representation of the English alphabet. Transmission experiments of fixed-width molecular signals corresponding to letters of the alphabet over varying distances are shown. A binary message corresponding to the word "ion" was synthesized using chemical signals and transmitted within a physical channel over a distance of 2 m.

A multiscale MD-FE model of diffusion in composite media with internal surface interaction based on numerical homogenization procedure.

PubMed

Kojic, M; Milosevic, M; Kojic, N; Kim, K; Ferrari, M; Ziemys, A

2014-02-01

Mass transport by diffusion within composite materials may depend not only on internal microstructural geometry, but also on the chemical interactions between the transported substance and the material of the microstructure. Retrospectively, there is a gap in methods and theory to connect material microstructure properties with macroscale continuum diffusion characteristics. Here we present a new hierarchical multiscale model for diffusion within composite materials that couples material microstructural geometry and interactions between diffusing particles and the material matrix. This model, which bridges molecular dynamics (MD) and the finite element (FE) method, is employed to construct a continuum diffusion model based on a novel numerical homogenization procedure. The procedure is general and robust for evaluating constitutive material parameters of the continuum model. These parameters include the traditional bulk diffusion coefficients and, additionally, the distances from the solid surface accounting for surface interaction effects. We implemented our models to glucose diffusion through the following two geometrical/material configurations: tightly packed silica nanospheres, and a complex fibrous structure surrounding nanospheres. Then, rhodamine 6G diffusion analysis through an aga-rose gel network was performed, followed by a model validation using our experimental results. The microstructural model, numerical homogenization and continuum model offer a new platform for modeling and predicting mass diffusion through complex biological environment and within composite materials that are used in a wide range of applications, like drug delivery and nanoporous catalysts.

A multiscale MD–FE model of diffusion in composite media with internal surface interaction based on numerical homogenization procedure

PubMed Central

Kojic, M.; Milosevic, M.; Kojic, N.; Kim, K.; Ferrari, M.; Ziemys, A.

2014-01-01

Mass transport by diffusion within composite materials may depend not only on internal microstructural geometry, but also on the chemical interactions between the transported substance and the material of the microstructure. Retrospectively, there is a gap in methods and theory to connect material microstructure properties with macroscale continuum diffusion characteristics. Here we present a new hierarchical multiscale model for diffusion within composite materials that couples material microstructural geometry and interactions between diffusing particles and the material matrix. This model, which bridges molecular dynamics (MD) and the finite element (FE) method, is employed to construct a continuum diffusion model based on a novel numerical homogenization procedure. The procedure is general and robust for evaluating constitutive material parameters of the continuum model. These parameters include the traditional bulk diffusion coefficients and, additionally, the distances from the solid surface accounting for surface interaction effects. We implemented our models to glucose diffusion through the following two geometrical/material configurations: tightly packed silica nanospheres, and a complex fibrous structure surrounding nanospheres. Then, rhodamine 6G diffusion analysis through an aga-rose gel network was performed, followed by a model validation using our experimental results. The microstructural model, numerical homogenization and continuum model offer a new platform for modeling and predicting mass diffusion through complex biological environment and within composite materials that are used in a wide range of applications, like drug delivery and nanoporous catalysts. PMID:24578582

Connectome sensitivity or specificity: which is more important?

PubMed

Zalesky, Andrew; Fornito, Alex; Cocchi, Luca; Gollo, Leonardo L; van den Heuvel, Martijn P; Breakspear, Michael

2016-11-15

Connectomes with high sensitivity and high specificity are unattainable with current axonal fiber reconstruction methods, particularly at the macro-scale afforded by magnetic resonance imaging. Tensor-guided deterministic tractography yields sparse connectomes that are incomplete and contain false negatives (FNs), whereas probabilistic methods steered by crossing-fiber models yield dense connectomes, often with low specificity due to false positives (FPs). Densely reconstructed probabilistic connectomes are typically thresholded to improve specificity at the cost of a reduction in sensitivity. What is the optimal tradeoff between connectome sensitivity and specificity? We show empirically and theoretically that specificity is paramount. Our evaluations of the impact of FPs and FNs on empirical connectomes indicate that specificity is at least twice as important as sensitivity when estimating key properties of brain networks, including topological measures of network clustering, network efficiency and network modularity. Our asymptotic analysis of small-world networks with idealized modular structure reveals that as the number of nodes grows, specificity becomes exactly twice as important as sensitivity to the estimation of the clustering coefficient. For the estimation of network efficiency, the relative importance of specificity grows linearly with the number of nodes. The greater importance of specificity is due to FPs occurring more prevalently between network modules rather than within them. These spurious inter-modular connections have a dramatic impact on network topology. We argue that efforts to maximize the sensitivity of connectome reconstruction should be realigned with the need to map brain networks with high specificity. Copyright © 2016 Elsevier Inc. All rights reserved.

Investigating the development of less-mobile porosity in realistic hyporheic zone sediments with COMSOL Multiphysics

NASA Astrophysics Data System (ADS)

MahmoodPoorDehkordy, F.; Briggs, M. A.; Day-Lewis, F. D.; Bagtzoglou, A. C.

2017-12-01

Although hyporheic zones are often modeled at the reach scale as homogeneous "boxes" of exchange, heterogeneity caused by variations of pore sizes and connectivity is not uncommon. This heterogeneity leads to the creation of more- and less-mobile zones of hydraulic exchange that influence reactive solute transport processes. Whereas fluid sampling is generally sensitive to more-mobile zones, geoelectrical measurement is sensitive to ionic tracer dynamics in both less- and more-mobile zones. Heterogeneity in pore connectivity leads to a lag between fluid and bulk electrical conductivity (EC) resulting in a hysteresis loop, observed during tracer breakthrough tests, that contains information about the less-mobile porosity attributes of the medium. Here, we present a macro-scale model of solute transport and electrical conduction developed using COMSOL Multiphysics. The model is used to simulate geoelectrical monitoring of ionic transport for bed sediments based on (1) a stochastic sand-and-cobble mixture and (2) a dune feature with strong permeability layering. In both of these disparate sediment types, hysteresis between fluid and bulk EC is observed, and depends in part on fluid flux rate through the model domain. Using the hysteresis loop, the ratio of less-mobile to mobile porosity and mass-transfer coefficient are estimated graphically. The results indicate the presence and significance of less-mobile porosity in the hyporheic zones and demonstrate the capability of the proposed model to detect heterogeneity in flow processes and estimate less-mobile zone parameters.

Modeling radiation belt dynamics using a 3-D layer method code

NASA Astrophysics Data System (ADS)

Wang, C.; Ma, Q.; Tao, X.; Zhang, Y.; Teng, S.; Albert, J. M.; Chan, A. A.; Li, W.; Ni, B.; Lu, Q.; Wang, S.

2017-08-01

A new 3-D diffusion code using a recently published layer method has been developed to analyze radiation belt electron dynamics. The code guarantees the positivity of the solution even when mixed diffusion terms are included. Unlike most of the previous codes, our 3-D code is developed directly in equatorial pitch angle (α0), momentum (p), and L shell coordinates; this eliminates the need to transform back and forth between (α0,p) coordinates and adiabatic invariant coordinates. Using (α0,p,L) is also convenient for direct comparison with satellite data. The new code has been validated by various numerical tests, and we apply the 3-D code to model the rapid electron flux enhancement following the geomagnetic storm on 17 March 2013, which is one of the Geospace Environment Modeling Focus Group challenge events. An event-specific global chorus wave model, an AL-dependent statistical plasmaspheric hiss wave model, and a recently published radial diffusion coefficient formula from Time History of Events and Macroscale Interactions during Substorms (THEMIS) statistics are used. The simulation results show good agreement with satellite observations, in general, supporting the scenario that the rapid enhancement of radiation belt electron flux for this event results from an increased level of the seed population by radial diffusion, with subsequent acceleration by chorus waves. Our results prove that the layer method can be readily used to model global radiation belt dynamics in three dimensions.

Drag Coefficient Estimation in Orbit Determination

NASA Astrophysics Data System (ADS)

McLaughlin, Craig A.; Manee, Steve; Lichtenberg, Travis

2011-07-01

Drag modeling is the greatest uncertainty in the dynamics of low Earth satellite orbits where ballistic coefficient and density errors dominate drag errors. This paper examines fitted drag coefficients found as part of a precision orbit determination process for Stella, Starlette, and the GEOSAT Follow-On satellites from 2000 to 2005. The drag coefficients for the spherical Stella and Starlette satellites are assumed to be highly correlated with density model error. The results using MSIS-86, NRLMSISE-00, and NRLMSISE-00 with dynamic calibration of the atmosphere (DCA) density corrections are compared. The DCA corrections were formulated for altitudes of 200-600 km and are found to be inappropriate when applied at 800 km. The yearly mean fitted drag coefficients are calculated for each satellite for each year studied. The yearly mean drag coefficients are higher for Starlette than Stella, where Starlette is at a higher altitude. The yearly mean fitted drag coefficients for all three satellites decrease as solar activity decreases after solar maximum.

Soccer Ball Lift Coefficients via Trajectory Analysis

ERIC Educational Resources Information Center

Goff, John Eric; Carre, Matt J.

2010-01-01

We performed experiments in which a soccer ball was launched from a machine while two high-speed cameras recorded portions of the trajectory. Using the trajectory data and published drag coefficients, we extracted lift coefficients for a soccer ball. We determined lift coefficients for a wide range of spin parameters, including several spin…

Absorption coefficients of solid NH3 from 50 to 7000 per cm

NASA Technical Reports Server (NTRS)

Sill, G.; Fink, U.; Ferraro, J. R.

1980-01-01

Thin-film spectra of solid NH3 at a resolution of 1 per cm were used to determine its absorption coefficient over the range 50-7000 per cm. The thin films were formed inside a liquid N2 cooled dewar using a variety of substrates and dewar windows. The spectra were recorded with two Fourier spectrometers, one covering the range from 1 to 4 microns and the other from 2.6 to 200 microns. The thickness of the films was measured with a laser interference technique. The absorption coefficients were determined by application of Lambert's law and by a fitting procedure to the observed spectra using thin-film theory. Good agreement was found with the absorption coefficients recently determined by other investigators over a more restricted wavelength range. A metastable phase was observed near a temperature of 90 K and its absorption coefficient is reported. No other major spectral changes with temperature were noted for the range 88-120 K.

[Extracting THz absorption coefficient spectrum based on accurate determination of sample thickness].

PubMed

Li, Zhi; Zhang, Zhao-hui; Zhao, Xiao-yan; Su, Hai-xia; Yan, Fang

2012-04-01

Extracting absorption spectrum in THz band is one of the important aspects in THz applications. Sample's absorption coefficient has a complex nonlinear relationship with its thickness. However, as it is not convenient to measure the thickness directly, absorption spectrum is usually determined incorrectly. Based on the method proposed by Duvillaret which was used to precisely determine the thickness of LiNbO3, the approach to measuring the absorption coefficient spectra of glutamine and histidine in frequency range from 0.3 to 2.6 THz(1 THz = 10(12) Hz) was improved in this paper. In order to validate the correctness of this absorption spectrum, we designed a series of experiments to compare the linearity of absorption coefficient belonging to one kind amino acid in different concentrations. The results indicate that as agreed by Lambert-Beer's Law, absorption coefficient spectrum of amino acid from the improved algorithm performs better linearity with its concentration than that from the common algorithm, which can be the basis of quantitative analysis in further researches.

A method for determination mass absorption coefficient of gamma rays by Compton scattering.

PubMed

El Abd, A

2014-12-01

A method was proposed for determination mass absorption coefficient of gamma rays for compounds, alloys and mixtures. It is based on simulating interaction processes of gamma rays with target elements having atomic numbers from Z=1 to Z=92 using the MCSHAPE software. Intensities of Compton scattered gamma rays at saturation thicknesses and at a scattering angle of 90° were calculated for incident gamma rays of different energies. The obtained results showed that the intensity of Compton scattered gamma rays at saturations and mass absorption coefficients can be described by mathematical formulas. These were used to determine mass absorption coefficients for compound, alloys and mixtures with the knowledge of their Compton scattered intensities. The method was tested by calculating mass absorption coefficients for some compounds, alloys and mixtures. There is a good agreement between obtained results and calculated ones using WinXom software. The advantages and limitations of the method were discussed. Copyright © 2014 Elsevier Ltd. All rights reserved.

Effects of transport coefficients on excitation of flare-induced standing slow-mode waves

NASA Astrophysics Data System (ADS)

Wang, Tongjiang; Ofman, Leon; Davila, Joseph

2017-08-01

The flare-excited longitudinal intensity oscillations in hot flaring loops have been recently detected by SDO/AIA, and interpreted as the slow-mode standing waves. By means of the seismology technique we have, for the first time, determined the transport coefficients in the hot (>9 MK) flare plasma, and found that thermal conductivity is suppressed by at least 3 times and viscosity coefficient is enhanced by a factor of 15 as the upper limit (Wang et al. 2015, ApJL, 811, L13). In this presentation, we first discuss possible causes for conduction suppression and viscosity enhancements. Then we use the nonlinear MHD simulations to validate the seismology method that is based on linear analytical analysis, and demonstrate the inversion scheme for determining transport coefficients using numerical parametric study. Finally, we show how the seismologically-determined transport coefficients are crucial for understanding the excitation of the observed standing slow-mode waves in coronal loops and the heating of the loop plasma by a footpoint flare.

A novel multiple headspace extraction gas chromatographic method for measuring the diffusion coefficient of methanol in water and in olive oil.

PubMed

Zhang, Chun-Yun; Chai, Xin-Sheng

2015-03-13

A novel method for the determination of the diffusion coefficient (D) of methanol in water and olive oil has been developed. Based on multiple headspace extraction gas chromatography (MHE-GC), the methanol released from the liquid sample of interest in a closed sample vial was determined in a stepwise fashion. A theoretical model was derived to establish the relationship between the diffusion coefficient and the GC signals from MHE-GC measurements. The results showed that the present method has an excellent precision (RSD<1%) in the linear fitting procedure and good accuracy for the diffusion coefficients of methanol in both water and olive oil, when compared with data reported in the literature. The present method is simple and practical and can be a valuable tool for the determination of the diffusion coefficient of volatile analyte(s) into food simulants from food and beverage packaging material, both in research studies and in actual applications. Copyright © 2015 Elsevier B.V. All rights reserved.

A laser-induced heat flux technique for convective heat transfer measurements in high speed flows

NASA Technical Reports Server (NTRS)

Porro, A. R.; Keith, T. G., Jr.; Hingst, W. R.

1991-01-01

A technique is developed to measure the local convective heat transfer coefficient on a model surface in a supersonic flow field. The technique uses a laser to apply a discrete local heat flux at the model test surface, and an infrared camera system determines the local temperature distribution due to the heating. From this temperature distribution and an analysis of the heating process, a local convective heat transfer coefficient is determined. The technique was used to measure the local surface convective heat transfer coefficient distribution on a flat plate at nominal Mach numbers of 2.5, 3.0, 3.5, and 4.0. The flat plate boundary layer initially was laminar and became transitional in the measurement region. The experimentally determined convective heat transfer coefficients were generally higher than the theoretical predictions for flat plate laminar boundary layers. However, the results indicate that this nonintrusive optical measurement technique has the potential to measure surface convective heat transfer coefficients in high speed flow fields.

A laser-induced heat flux technique for convective heat transfer measurements in high speed flows

NASA Technical Reports Server (NTRS)

Porro, A. R.; Keith, T. G., Jr.; Hingst, W. R.

1991-01-01

A technique is developed to measure the local convective heat transfer coefficient on a model surface in a supersonic flow field. The technique uses a laser to apply a discrete local heat flux at the model test surface, and an infrared camera system determines the local temperature distribution due to the heating. From this temperature distribution and an analysis of the heating process, a local convective heat transfer coefficient is determined. The technique was used to measure the local surface convective heat transfer coefficient distribution on a flat plate at nominal Mach numbers of 2.5, 3.0, 3.5, and 4.0. The flat plate boundary layer initially was laminar and became transitional in the measurement region. The experimentally determined convective heat transfer coefficients were generally higher than the theoretical predictions for flat plate laminar boundary layers. However, the results indicate that this nonintrusive optical measurement technique has the potential to measure surface convective heat transfer coefficients in high-speed flowfields.

On the Ageing of High Energy Lithium-Ion Batteries—Comprehensive Electrochemical Diffusivity Studies of Harvested Nickel Manganese Cobalt Electrodes

PubMed Central

Jaguemont, Joris; Van Den Bossche, Peter; Omar, Noshin; Van Mierlo, Joeri

2018-01-01

This paper examines the impact of the characterisation technique considered for the determination of the Li+ solid state diffusion coefficient in uncycled as in cycled Nickel Manganese Cobalt oxide (NMC) electrodes. As major characterisation techniques, Cyclic Voltammetry (CV), Galvanostatic Intermittent Titration Technique (GITT) and Electrochemical Impedance Spectroscopy (EIS) were systematically investigated. Li+ diffusion coefficients during the lithiation process of the uncycled and cycled electrodes determined by CV at 3.71 V are shown to be equal to 3.48×10−10 cm2·s−1 and 1.56×10−10 cm2·s−1 , respectively. The dependency of the Li+ diffusion with the lithium content in the electrodes is further studied in this paper with GITT and EIS. Diffusion coefficients calculated by GITT and EIS characterisations are shown to be in the range between 1.76×10−15 cm2·s−1 and 4.06×10−12 cm2·s−1, while demonstrating the same decreasing trend with the lithiation process of the electrodes. For both electrode types, diffusion coefficients calculated by CV show greater values compared to those determined by GITT and EIS. With ageing, CV and EIS techniques lead to diffusion coefficients in the electrodes at 3.71 V that are decreasing, in contrast to GITT for which results indicate increasing diffusion coefficient. After long-term cycling, ratios of the diffusion coefficients determined by GITT compared to CV become more significant with an increase about 1 order of magnitude, while no significant variation is seen between the diffusion coefficients calculated from EIS in comparison to CV. PMID:29360787

On the Ageing of High Energy Lithium-Ion Batteries-Comprehensive Electrochemical Diffusivity Studies of Harvested Nickel Manganese Cobalt Electrodes.

PubMed

Capron, Odile; Gopalakrishnan, Rahul; Jaguemont, Joris; Van Den Bossche, Peter; Omar, Noshin; Van Mierlo, Joeri

2018-01-23

This paper examines the impact of the characterisation technique considered for the determination of the L i + solid state diffusion coefficient in uncycled as in cycled Nickel Manganese Cobalt oxide (NMC) electrodes. As major characterisation techniques, Cyclic Voltammetry (CV), Galvanostatic Intermittent Titration Technique (GITT) and Electrochemical Impedance Spectroscopy (EIS) were systematically investigated. L i + diffusion coefficients during the lithiation process of the uncycled and cycled electrodes determined by CV at 3.71 V are shown to be equal to 3 . 48 × 10 - 10 cm 2 ·s - 1 and 1 . 56 × 10 - 10 cm 2 ·s - 1 , respectively. The dependency of the L i + diffusion with the lithium content in the electrodes is further studied in this paper with GITT and EIS. Diffusion coefficients calculated by GITT and EIS characterisations are shown to be in the range between 1 . 76 × 10 - 15 cm 2 ·s - 1 and 4 . 06 × 10 - 12 cm 2 ·s - 1 , while demonstrating the same decreasing trend with the lithiation process of the electrodes. For both electrode types, diffusion coefficients calculated by CV show greater values compared to those determined by GITT and EIS. With ageing, CV and EIS techniques lead to diffusion coefficients in the electrodes at 3.71 V that are decreasing, in contrast to GITT for which results indicate increasing diffusion coefficient. After long-term cycling, ratios of the diffusion coefficients determined by GITT compared to CV become more significant with an increase about 1 order of magnitude, while no significant variation is seen between the diffusion coefficients calculated from EIS in comparison to CV.

KSC-06pd2788

NASA Image and Video Library

2006-12-11

KENNEDY SPACE CENTER, FLA. -- Workers at Astrotech Space Operations in Titusville, Fla., wipe down the crates containing the probes of the THEMIS spacecraft. THEMIS, which stands for Time History of Events and Macroscale Interactions during Substorms, comprises five identical probes that will study the dynamic and colorful eruptions of auroras. THEMIS is scheduled to launch Feb. 15 from Cape Canaveral Air Force Station. Photo credit: NASA/George Shelton

KSC-06pd2787

NASA Image and Video Library

2006-12-11

KENNEDY SPACE CENTER, FLA. -- Workers at Astrotech Space Operations in Titusville, Fla., wipe down the crates containing the probes of the THEMIS spacecraft. THEMIS, which stands for Time History of Events and Macroscale Interactions during Substorms, comprises five identical probes that will study the dynamic and colorful eruptions of auroras. THEMIS is scheduled to launch Feb. 15 from Cape Canaveral Air Force Station. Photo credit: NASA/George Shelton

Macrosystems ecology: novel methods and new understanding of multi-scale patterns and processes

Treesearch

Songlin Fei; Qinfeng Guo; Kevin Potter

2016-01-01

As the global biomes are increasingly threatened by human activities, understanding of macroscale patterns and processes is pressingly needed for effective management and policy making. Macrosystems ecology, which studies multiscale ecologicalpatterns and processes, has gained growing interest in the research community. However, as a relatively new field in...

Macro-scale assessment of demographic and environmental variation within genetically derived evolutionary lineages of eastern hemlock (Tsuga canadensis), an imperiled conifer of the eastern United States

Treesearch

Anantha M. Prasad; Kevin M. Potter

2017-01-01

Eastern hemlock (Tsuga canadensis) occupies a large swath of eastern North America and has historically undergone range expansion and contraction resulting in several genetically separate lineages. This conifer is currently experiencing mortality across most of its range following infestation of a non-native insect. With the goal of better...

Structural Foaming at the Nano-, Micro-, and Macro-Scales of Continuous Carbon Fiber Reinforced Polymer Matrix Composites

DTIC Science & Technology

2012-10-29

up to 40%. Approach: Our approach was to work with conventional composite systems manufactured through the traditional prepreg and autoclave...structural porosity at MNM scales could be introduced into the matrix, the carbon fiber reinforcement, and during prepreg lamination processing, without...areas, including fibers. Furthermore, investigate prepreg thickness and resin content effects on the thermomechanical performance of laminated

Up Close from Afar: Using Remote Sensing To Teach the American Landscape. Pathways in Geography Series, Title No. 8.

ERIC Educational Resources Information Center

Baumann, Paul R., Ed.

This teaching guide offers educators glimpses into the value of remote sensing, the process of observing and analyzing the earth from a distance. Remote sensing provides information in forms to see spatial patterns over large areas in a more realistic way than thematic maps and allows a macro-scale look at global problems. The six instructional…

Development and Validation of Spatially Explicit Habitat Models for Cavity-nesting Birds in Fishlake National Forest, Utah

Treesearch

Randall A., Jr. Schultz; Thomas C., Jr. Edwards; Gretchen G. Moisen; Tracey S. Frescino

2005-01-01

The ability of USDA Forest Service Forest Inventory and Analysis (FIA) generated spatial products to increase the predictive accuracy of spatially explicit, macroscale habitat models was examined for nest-site selection by cavity-nesting birds in Fishlake National Forest, Utah. One FIA-derived variable (percent basal area of aspen trees) was significant in the habitat...

A hierarchical perspective of plant diversity

USGS Publications Warehouse

Sarr, Daniel; Hibbs, D.E.; Huston, M.

2005-01-01

Predictive models of plant diversity have typically focused on either a landscapea??s capacity for richness (equilibrium models), or on the processes that regulate competitive exclusion, and thus allow species to coexist (nonequilibrium models). Here, we review the concepts and purposes of a hierarchical, multiscale model of the controls of plant diversity that incorporates the equilibrium model of climatic favorability at macroscales, nonequilibrium models of competition at microscales, and a mixed model emphasizing environmental heterogeneity at mesoscales. We evaluate the conceptual model using published data from three spatially nested datasets: (1) a macroscale analysis of ecoregions in the continental and western U.S.; (2) a mesoscale study in California; and (3) a microscale study in the Siskiyou Mountains of Oregon and California. At the macroscale (areas from 3889 km2 to 638,300 km2), climate (actual evaporation) was a strong predictor of tree diversity (R2 = 0.80), as predicted by the conceptual model, but area was a better predictor for vascular plant diversity overall (R2 = 0.38), which suggests different types of plants differ in their sensitivity to climatic controls. At mesoscales (areas from 1111 km2 to 15,833 km2 ), climate was still an important predictor of richness (R2 = 0.52), but, as expected, topographic heterogeneity explained an important share of the variance (R2 = 0.19), showed positive correlations with diversity of trees, shrubs, and annual and perennial herbs, and was the primary predictor of shrub and annual plant species richness. At microscales (0.1 ha plots), spatial patterns of diversity showed a clear unimodal pattern along a climatea??driven productivity gradient and a negative relationship with soil fertility. The strong decline in understory and total diversity at the most productive sites suggests that competitive controls, as predicted, can override climatic controls at this scale. We conclude that this hierarchical, multiscale model provides a sound basis to understand and analyze plant species diversity. Specifically, future research should employ the principles in this paper to explore climatic controls on species richness of different life forms, better quantify environmental heterogeneity in landscapes, and analyze how these largea??scale factors interact with local nonequilibrium dynamics to maintain plant diversity.

Beta diversity at different spatial scales: plant communities in organic and conventional agriculture.

PubMed

Gabriel, Doreen; Roschewitz, Indra; Tscharntke, Teja; Thies, Carsten

2006-10-01

Biodiversity studies that guide agricultural subsidy policy have generally compared farming systems at a single spatial scale: the field. However, diversity patterns vary across spatial scales. Here, we examined the effects of farming system (organic vs. conventional) and position in the field (edge vs. center) on plant species richness in wheat fields at three spatial scales. We quantified alpha-, beta-, and gamma-diversity at the microscale in 800 plots, at the mesoscale in 40 fields, and at the macroscale in three regions using the additive partitioning approach, and evaluated the relative contribution of beta-diversity at each spatial scale to total observed species richness. We found that alpha-, beta-, and gamma-diversity were higher in organic than conventional fields and higher at the field edge than in the field center at all spatial scales. In both farming systems, beta-diversity at the meso- and macroscale explained most of the overall species richness (up to 37% and 25%, respectively), indicating considerable differences in community composition among fields and regions due to environmental heterogeneity. The spatial scale at which beta-diversity contributed the most to overall species richness differed between rare and common species. Total richness of rare species (present in < or = 5% of total samples) was mainly explained by differences in community composition at the meso- and macroscale (up to 27% and 48%, respectively), but only in organic fields. Total richness of common species (present in > or = 25% of total samples) was explained by differences in community composition at the micro- and mesoscale (up to 29% and 47%, respectively), i.e., among plots and fields, independent of farming system. Our results show that organic farming made the greatest contribution to total species richness at the meso (among fields) and macro (among regions) scale due to environmental heterogeneity. Hence, agri-environment schemes should exploit this large-scale contribution of beta-diversity by tailoring schemes at regional scales to maximize dissimilarity between conservation areas using geographic information systems rather than focusing entirely at the classical local-field scale, which is the current practice.

Multiscale study on stochastic reconstructions of shale samples

NASA Astrophysics Data System (ADS)

Lili, J.; Lin, M.; Jiang, W. B.

2016-12-01

Shales are known to have multiscale pore systems, composed of macroscale fractures, micropores, and nanoscale pores within gas or oil-producing organic material. Also, shales are fissile and laminated, and the heterogeneity in horizontal is quite different from that in vertical. Stochastic reconstructions are extremely useful in situations where three-dimensional information is costly and time consuming. Thus the purpose of our paper is to reconstruct stochastically equiprobable 3D models containing information from several scales. In this paper, macroscale and microscale images of shale structure in the Lower Silurian Longmaxi are obtained by X-ray microtomography and nanoscale images are obtained by scanning electron microscopy. Each image is representative for all given scales and phases. Especially, the macroscale is four times coarser than the microscale, which in turn is four times lower in resolution than the nanoscale image. Secondly, the cross correlation-based simulation method (CCSIM) and the three-step sampling method are combined together to generate stochastic reconstructions for each scale. It is important to point out that the boundary points of pore and matrix are selected based on multiple-point connectivity function in the sampling process, and thus the characteristics of the reconstructed image can be controlled indirectly. Thirdly, all images with the same resolution are developed through downscaling and upscaling by interpolation, and then we merge multiscale categorical spatial data into a single 3D image with predefined resolution (the microscale image). 30 realizations using the given images and the proposed method are generated. The result reveals that the proposed method is capable of preserving the multiscale pore structure, both vertically and horizontally, which is necessary for accurate permeability prediction. The variogram curves and pore-size distribution for both original 3D sample and the generated 3D realizations are compared. The result indicates that the agreement between the original 3D sample and the generated stochastic realizations is excellent. This work is supported by "973" Program (2014CB239004), the Key Instrument Developing Project of the CAS (ZDYZ2012-1-08-02) and the National Natural Science Foundation of China (Grant No. 41574129).

TEMPERATURE COEFFICIENTS OF HETEROGENEOUS U-238-U-235 FUELED REACTORS

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

Astley, E.R.; Mansius, C.A.

1958-05-14

An analytical method of determining the effective reactivity coefficient from fundamental cross sections using the four factor formula is presented. Values of the coefficient obtained by this method compare well with experiment. (A.C.)

Determination of UV-visible-NIR absorption coefficient of graphite bulk using direct and indirect methods

NASA Astrophysics Data System (ADS)

Smausz, T.; Kondász, B.; Gera, T.; Ajtai, T.; Utry, N.; Pintér, M.; Kiss-Albert, G.; Budai, J.; Bozóki, Z.; Szabó, G.; Hopp, B.

2017-10-01

Absorption coefficient of graphite bulk pressed from 1 to 5 μm-sized crystalline grains was measured in UV-Vis-NIR range with three different methods: (i) determination of pulsed laser ablation rate as the function of laser fluence for different wavelengths (248, 337, 532, and 1064 nm, respectively); (ii) production of aerosol particles by UV laser ablation of the bulk graphite in inert atmosphere and determination of the mass-specific absorption coefficient with a four-wavelength (266, 355, 532, and 1064 nm, respectively) photoacoustic spectrometer, and (iii) spectroscopic ellipsometry in 250-1000 nm range. Taking into account the wide range of the absorption coefficients of different carbon structures, an overall relatively good agreement was observed for the three methods. The ellipsometric results fit well with the ablation rate measurement, and the data obtained with photoacoustic method are also similar in the UV and NIR region; however, the values were somewhat higher in visible and near-UV range. Taking into account the limitations of the methods, they can be promising candidates for the determination of absorption coefficient when the samples are strongly scattering and there is no possibility to perform transmissivity measurements.

Conversion coefficients for H'(3;Ω) for photons.

PubMed

Behrens, Rolf

2017-06-26

In this work, conversion coefficients for the operational quantity H'(3;Ω) have been calculated for both mono-energetic photons from 2 keV to 50 MeV for angles of incidence from 0° up to 180° in steps of 15° (to complement ICRU 57) as well as for photon reference radiation qualities (to complement ISO 4037). Finally, parameters necessary to determine the influence of the air density on the conversion coefficients have been determined.

Determination of the coefficient of dynamic friction between coatings of alumina and metallic materials

NASA Astrophysics Data System (ADS)

Santos, A.; Córdoba, E.; Ramírez, Z.; Sierra, C.; Ortega, Y.

2017-12-01

This project aims to determine the coefficient of dynamic friction between micrometric size coatings of alumina and metallic materials (Steel and aluminium); the methodology used to achieve the proposed objective consisted of 4 phases, in the first one was developed a procedure that allowed, from a Pin on Disk machine built based on the specifications given by the ASTM G99-05 standard (Standard test method for wear tests with a Pin on Disk machine), to determine the coefficient of dynamic friction between two materials in contact; subsequently the methodology was verified through tests between steel-steel and steel-aluminium, due to these values are widely reported in the literature; as a third step, deposits of alumina particles of micrometric size were made on a steel substrate through thermal spraying by flame; finally, the tests were carried out between pins of steel of aluminium and alumina coating to determine the coefficients of dynamic friction between these two surfaces. The results of the project allowed to verify that the developed methodology is valid to obtain coefficients of dynamic friction between surfaces in contact since the percentages of error were of 3.5% and 2.1% for steel-steel and aluminium-steel, respectively; additionally, it was found that the coefficient of friction between steel-alumina coatings is 0.36 and aluminium-alumina coating is 0.25.

Evaluation of Contact Heat Transfer Coefficient and Phase Transformation during Hot Stamping of a Hat-Type Part

PubMed Central

Kim, Heung-Kyu; Lee, Seong Hyeon; Choi, Hyunjoo

2015-01-01

Using an inverse analysis technique, the heat transfer coefficient on the die-workpiece contact surface of a hot stamping process was evaluated as a power law function of contact pressure. This evaluation was to determine whether the heat transfer coefficient on the contact surface could be used for finite element analysis of the entire hot stamping process. By comparing results of the finite element analysis and experimental measurements of the phase transformation, an evaluation was performed to determine whether the obtained heat transfer coefficient function could provide reasonable finite element prediction for workpiece properties affected by the hot stamping process. PMID:28788046

Partial F-tests with multiply imputed data in the linear regression framework via coefficient of determination.

PubMed

Chaurasia, Ashok; Harel, Ofer

2015-02-10

Tests for regression coefficients such as global, local, and partial F-tests are common in applied research. In the framework of multiple imputation, there are several papers addressing tests for regression coefficients. However, for simultaneous hypothesis testing, the existing methods are computationally intensive because they involve calculation with vectors and (inversion of) matrices. In this paper, we propose a simple method based on the scalar entity, coefficient of determination, to perform (global, local, and partial) F-tests with multiply imputed data. The proposed method is evaluated using simulated data and applied to suicide prevention data. Copyright © 2014 John Wiley & Sons, Ltd.

Accurate potentiometric determination of lipid membrane-water partition coefficients and apparent dissociation constants of ionizable drugs: electrostatic corrections.

PubMed

Elsayed, Mustafa M A; Vierl, Ulrich; Cevc, Gregor

2009-06-01

Potentiometric lipid membrane-water partition coefficient studies neglect electrostatic interactions to date; this leads to incorrect results. We herein show how to account properly for such interactions in potentiometric data analysis. We conducted potentiometric titration experiments to determine lipid membrane-water partition coefficients of four illustrative drugs, bupivacaine, diclofenac, ketoprofen and terbinafine. We then analyzed the results conventionally and with an improved analytical approach that considers Coulombic electrostatic interactions. The new analytical approach delivers robust partition coefficient values. In contrast, the conventional data analysis yields apparent partition coefficients of the ionized drug forms that depend on experimental conditions (mainly the lipid-drug ratio and the bulk ionic strength). This is due to changing electrostatic effects originating either from bound drug and/or lipid charges. A membrane comprising 10 mol-% mono-charged molecules in a 150 mM (monovalent) electrolyte solution yields results that differ by a factor of 4 from uncharged membranes results. Allowance for the Coulombic electrostatic interactions is a prerequisite for accurate and reliable determination of lipid membrane-water partition coefficients of ionizable drugs from potentiometric titration data. The same conclusion applies to all analytical methods involving drug binding to a surface.

Unsaturated soil moisture drying and wetting diffusion coefficient measurements in the laboratory.

DOT National Transportation Integrated Search

2009-09-01

ABSTRACTTransient moisture flow in an unsaturated soil in response to suction changes is controlled by the unsaturated moisture diffusion coefficient. The moisture diffusion coefficient can be determined by measuring suction profiles over time. The l...

EXPERIMENTAL INVESTIGATION OF RELATIVE PERMEABILITY UPSCALING FROM THE MICRO-SCALE TO THE MACRO-SCALE

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

Laura J. Pyrak-Nolte; Ping Yu; JiangTao Cheng

2002-12-01

The principal challenge of upscaling techniques for multi-phase fluid dynamics in porous media is to determine which properties on the micro-scale can be used to predict macroscopic flow and spatial distribution of phases at core- and field-scales. The most notable outcome of recent theories is the identification of interfacial areas per volume for multiple phases as a fundamental parameter that determines much of the multi-phase properties of the porous medium. A formal program of experimental research was begun to directly test upscaling theories in fluid flow through porous media by comparing measurements of relative permeability and capillary-saturation with measurements ofmore » interfacial area per volume. During this reporting period, we have shown experimentally that the coherence detection can be performed in a borescope. The measurement of interfacial area per volume (IAV), capillary pressure and saturation in two dimensional micro-models structures has shown the existence of a unique relationship among these hydraulic parameters for different pore geometry. The measurement of interfacial area per volume on a three-dimensional natural sample, i.e., sandstone, is essentially completed for imbibition conditions.« less

Scaling Relations for Viscous and Gravitational Flow Instabilities in Multiphase Multicomponent Compressible Flow

NASA Astrophysics Data System (ADS)

Moortgat, J.; Amooie, M. A.; Soltanian, M. R.

2016-12-01

Problems in hydrogeology and hydrocarbon reservoirs generally involve the transport of solutes in a single solvent phase (e.g., contaminants or dissolved injection gas), or the flow of multiple phases that may or may not exchange mass (e.g., brine, NAPL, oil, gas). Often, flow is viscously and gravitationally unstable due to mobility and density contrasts within a phase or between phases. Such instabilities have been studied in detail for single-phase incompressible fluids and for two-phase immiscible flow, but to a lesser extent for multiphase multicomponent compressible flow. The latter is the subject of this presentation. Robust phase stability analyses and phase split calculations, based on equations of state, determine the mass exchange between phases and the resulting phase behavior, i.e., phase densities, viscosities, and volumes. Higher-order finite element methods and fine grids are used to capture the small-scale onset of flow instabilities. A full matrix of composition dependent coefficients is considered for each Fickian diffusive phase flux. Formation heterogeneity can have a profound impact and is represented by realistic geostatistical models. Qualitatively, fingering in multiphase compositional flow is different from single-phase problems because 1) phase mobilities depend on rock wettability through relative permeabilities, and 2) the initial density and viscosity ratios between phases may change due to species transfer. To quantify mixing rates in different flow regimes and for varying degrees of miscibility and medium heterogeneities, we define the spatial variance, scalar dissipation rate, dilution index, skewness, and kurtosis of the molar density of introduced species. Molar densities, unlike compositions, include compressibility effects. The temporal evolution of these measures shows that, while transport at the small-scale (cm) is described by the classical advection-diffusion-dispersion relations, scaling at the macro-scale (> 10 m) shows transitions between advective, diffusive, ballistic, sub-diffusive, and non-Fickian diffusive behavior. These scaling relations can be used to improve the predictive powers of field-scale reservoir simulations that cannot resolve the complexities of unstable flow and transport at cm-m scales.

Determination of Dimensionless Attenuation Coefficient in Shaped Resonators

NASA Technical Reports Server (NTRS)

Daniels, C.; Steinetz, B.; Finkbeiner, J.; Raman, G.; Li, X.

2003-01-01

The value of dimensionless attenuation coefficient is an important factor when numerically predicting high-amplitude acoustic waves in shaped resonators. Both the magnitude of the pressure waveform and the quality factor rely heavily on this dimensionless parameter. Previous authors have stated the values used, but have not completely explained their methods. This work fully describes the methodology used to determine this important parameter. Over a range of frequencies encompassing the fundamental resonance, the pressure waves were experimentally measured at each end of the shaped resonators. At the corresponding dimensionless acceleration, the numerical code modeled the acoustic waveforms generated in the resonator using various dimensionless attenuation coefficients. The dimensionless attenuation coefficient that most closely matched the pressure amplitudes and quality factors of the experimental and numerical results was determined to be the value to be used in subsequent studies.

Friction coefficient and effective interference at the implant-bone interface.

PubMed

Damm, Niklas B; Morlock, Michael M; Bishop, Nicholas E

2015-09-18

Although the contact pressure increases during implantation of a wedge-shaped implant, friction coefficients tend to be measured under constant contact pressure, as endorsed in standard procedures. Abrasion and plastic deformation of the bone during implantation are rarely reported, although they define the effective interference, by reducing the nominal interference between implant and bone cavity. In this study radial forces were analysed during simulated implantation and explantation of angled porous and polished implant surfaces against trabecular bone specimens, to determine the corresponding friction coefficients. Permanent deformation was also analysed to determine the effective interference after implantation. For the most porous surface tested, the friction coefficient initially increased with increasing normal contact stress during implantation and then decreased at higher contact stresses. For a less porous surface, the friction coefficient increased continually with normal contact stress during implantation but did not reach the peak magnitude measured for the rougher surface. Friction coefficients for the polished surface were independent of normal contact stress and much lower than for the porous surfaces. Friction coefficients were slightly lower for pull-out than for push-in for the porous surfaces but not for the polished surface. The effective interference was as little as 30% of the nominal interference for the porous surfaces. The determined variation in friction coefficient with radial contact force, as well as the loss of interference during implantation will enable a more accurate representation of implant press-fitting for simulations. Copyright © 2015 Elsevier Ltd. All rights reserved.

On the methods for determining the transverse dispersion coefficient in river mixing

NASA Astrophysics Data System (ADS)

Baek, Kyong Oh; Seo, Il Won

2016-04-01

In this study, the strengths and weaknesses of existing methods for determining the dispersion coefficient in the two-dimensional river mixing model were assessed based on hydraulic and tracer data sets acquired from experiments conducted on either laboratory channels or natural rivers. From the results of this study, it can be concluded that, when the longitudinal dispersion coefficient as well as the transverse dispersion coefficients must be determined in the transient concentration situation, the two-dimensional routing procedures, 2D RP and 2D STRP, can be employed to calculate dispersion coefficients among the observation methods. For the steady concentration situation, the STRP can be applied to calculate the transverse dispersion coefficient. When the tracer data are not available, either theoretical or empirical equations by the estimation method can be used to calculate the dispersion coefficient using the geometric and hydraulic data sets. Application of the theoretical and empirical equations to the laboratory channel showed that equations by Baek and Seo [[3], 2011] predicted reasonable values while equations by Fischer [23] and Boxwall and Guymer (2003) overestimated by factors of ten to one hundred. Among existing empirical equations, those by Jeon et al. [28] and Baek and Seo [6] gave the agreeable values of the transverse dispersion coefficient for most cases of natural rivers. Further, the theoretical equation by Baek and Seo [5] has the potential to be broadly applied to both laboratory and natural channels.

Determination of diffusion coefficients in polypyrrole thin films using a current pulse relaxation method

NASA Technical Reports Server (NTRS)

Penner, Reginald M.; Vandyke, Leon S.; Martin, Charles R.

1987-01-01

The current pulse E sub oc relaxation method and its application to the determination of diffusion coefficients in electrochemically synthesized polypyrrole thin films is described. Diffusion coefficients for such films in Et4NBF4 and MeCN are determined for a series of submicron film thicknesses. Measurement of the double-layer capacitance, C sub dl, and the resistance, R sub u, of polypyrrole thin films as a function of potential obtained with the galvanostatic pulse method is reported. Measurements of the electrolyte concentration in reduced polypyrrole films are also presented to aid in the interpretation of the data.

Operando XRD studies as a tool for determination of transport parameters of mobile ions in electrode materials

NASA Astrophysics Data System (ADS)

Kondracki, Łukasz; Kulka, Andrzej; Świerczek, Konrad; Ziąbka, Magdalena; Molenda, Janina

2017-11-01

In this work a detailed operando XRD investigations of structural properties of LixMn2O4 manganese spinel are shown to be a complementary, successful method of determination of diffusion coefficient D and surface exchange coefficient k in the working electrode. Kinetics of lithium ions transport are estimated on the basis of rate of structural changes of the cathode material during a relaxation stage after a high current charge, i.e. during structural relaxation of the material. The presented approach seems to be applicable as a complementary method of determination of transport coefficients for all intercalation-type electrode materials.

Determination of coupling coefficients at various zenith angles of the basis of the cosmic ray azimuth effect

NASA Technical Reports Server (NTRS)

Belskiy, S. A.; Dmitriev, B. A.; Romanov, A. M.

1975-01-01

The value of EW asymmetry and coupling coefficients at different zenith angles were measured by means of a double coincidence crossed telescope which gives an opportunity to measure simultaneously the intensity of the cosmic ray hard component at zenith angles from 0 to 84 deg in opposite azimuths. The advantages of determining the coupling coefficients by the cosmic ray azimuth effect as compared to their measurement by the latitudinal effect are discussed.

Modeling Surface Water Dynamics in the Amazon Basin Using Mosart-Inundation-v1.0: Impacts of Geomorphological Parameters and River Flow Representation

NASA Technical Reports Server (NTRS)

Luo, Xiangyu; Li, Hong-Yi; Leung, Ruby; Tesfa, Teklu K.; Getirana, Augusto; Papa, Fabrice; Hess, Laura L.

2017-01-01

Surface water dynamics play an important role in water, energy and carbon cycles of the Amazon Basin. A macro-scale inundation scheme was integrated with a surface-water transport model and the extended model was applied in this vast basin. We addressed the challenges of improving basin-wide geomorphological parameters and river flow representation for 15 large-scale applications. Vegetation-caused biases embedded in the HydroSHEDS DEM data were alleviated by using a vegetation height map of about 1-km resolution and a land cover dataset of about 90-m resolution. The average elevation deduction from the DEM correction was about 13.2 m for the entire basin. Basin-wide empirical formulae for channel cross-sectional geometry were adjusted based on local information for the major portion of the basin, which could significantly reduce the cross-sectional area for the channels of some subregions. The Manning roughness coefficient of the channel 20 varied with the channel depth to reflect the general rule that the relative importance of riverbed resistance in river flow declined with the increase of river size. The entire basin was discretized into 5395 subbasins (with an average area of 1091.7 km2), which were used as computation units. The model was driven by runoff estimates of 14 years (1994 2007) generated by the ISBA land surface model. The simulated results were evaluated against in situ streamflow records, and remotely sensed Envisat altimetry data and GIEMS inundation data. The hydrographs were reproduced fairly well for the majority of 25 13 major stream gauges. For the 11 subbasins containing or close to 11 of the 13 gauges, the timing of river stage fluctuations was captured; for most of the 11 subbasins, the magnitude of river stage fluctuations was represented well. The inundation estimates were comparable to the GIEMS observations. Sensitivity analyses demonstrated that refining floodplain topography, channel morphology and Manning roughness coefficients, as well as accounting for backwater effects could evidently affect local and upstream inundation, which consequently affected flood waves and inundation of the downstream 30 area. It was also shown that the river stage was sensitive to local channel morphology and Manning roughness coefficients, as well as backwater effects. The understanding obtained in this study could be helpful to improving modeling of surface hydrology in basins with evident inundation, especially at regional or larger scales.

Gluing for Raman lidar systems using the lamp mapping technique.

PubMed

Walker, Monique; Venable, Demetrius; Whiteman, David N

2014-12-20

In the context of combined analog and photon counting (PC) data acquisition in a Lidar system, glue coefficients are defined as constants used for converting an analog signal into a virtual PC signal. The coefficients are typically calculated using Lidar profile data taken under clear, nighttime conditions since, in the presence of clouds or high solar background, it is difficult to obtain accurate glue coefficients from Lidar backscattered data. Here we introduce a new method in which we use the lamp mapping technique (LMT) to determine glue coefficients in a manner that does not require atmospheric profiles to be acquired and permits accurate glue coefficients to be calculated when adequate Lidar profile data are not available. The LMT involves scanning a halogen lamp over the aperture of a Lidar receiver telescope such that the optical efficiency of the entire detection system is characterized. The studies shown here involve two Raman lidar systems; the first from Howard University and the second from NASA/Goddard Space Flight Center. The glue coefficients determined using the LMT and the Lidar backscattered method agreed within 1.2% for the water vapor channel and within 2.5% for the nitrogen channel for both Lidar systems. We believe this to be the first instance of the use of laboratory techniques for determining the glue coefficients for Lidar data analysis.

Experimental Measurement of the Static Coefficient of Friction at the Ti-Ti Taper Connection in Total Hip Arthroplasty.

PubMed

Bitter, T; Khan, I; Marriott, T; Schreurs, B W; Verdonschot, N; Janssen, D

2016-03-01

The modular taper junction in total hip replacements has been implicated as a possible source of wear. The finite-element (FE) method can be used to study the wear potential at the taper junction. For such simulations it is important to implement representative contact parameters, in order to achieve accurate results. One of the main parameters in FE simulations is the coefficient of friction. However, in current literature, there is quite a wide spread in coefficient of friction values (0.15 - 0.8), which has a significant effect on the outcome of the FE simulations. Therefore, to obtain more accurate results, one should use a coefficient of friction that is determined for the specific material couple being analyzed. In this study, the static coefficient of friction was determined for two types of titanium-on-titanium stem-adaptor couples, using actual cut-outs of the final implants, to ensure that the coefficient of friction was determined consistently for the actual implant material and surface finish characteristics. Two types of tapers were examined, Biomet type-1 and 12/14, where type-1 has a polished surface finish and the 12/14 is a microgrooved system. We found static coefficients of friction of 0.19 and 0.29 for the 12/14 and type-1 stem-adaptor couples, respectively.

Molecular Diffusion Coefficients: Experimental Determination and Demonstration.

ERIC Educational Resources Information Center

Fate, Gwendolyn; Lynn, David G.

1990-01-01

Presented are laboratory methods which allow the demonstration and determination of the diffusion coefficients of compounds ranging in size from water to small proteins. Included are the procedures involving the use of a spectrometer, UV cell, triterated agar, and oxygen diffusion. Results including quantification are described. (CW)

Ontogeny of aerodynamics in mallards: comparative performance and developmental implications.

PubMed

Dial, Terry R; Heers, Ashley M; Tobalske, Bret W

2012-11-01

Wing morphology correlates with flight performance and ecology among adult birds, yet the impact of wing development on aerodynamic capacity is not well understood. Recent work using chukar partridge (Alectoris chukar), a precocial flier, indicates that peak coefficients of lift and drag (C(L) and C(D)) and lift-to-drag ratio (C(L):C(D)) increase throughout ontogeny and that these patterns correspond with changes in feather microstructure. To begin to place these results in a comparative context that includes variation in life-history strategy, we used a propeller and force-plate model to study aerodynamic force production across a developmental series of the altricial-flying mallard (Anas platyrhynchos). We observed the same trend in mallards as reported for chukar in that coefficients of vertical (C(V)) and horizontal force (C(H)) and C(V):C(H) ratio increased with age, and that measures of gross-wing morphology (aspect ratio, camber and porosity) in mallards did not account for intraspecific trends in force production. Rather, feather microstructure (feather unfurling, rachis width, feather asymmetry and barbule overlap) all were positively correlated with peak C(V):C(H). Throughout ontogeny, mallard primary feathers became stiffer and less transmissive to air at both macroscale (between individual feathers) and microscale (between barbs/barbules/barbicels) levels. Differences between species were manifest primarily as heterochrony of aerodynamic force development. Chukar wings generated measurable aerodynamic forces early (<8 days), and improved gradually throughout a 100 day ontogenetic period. Mallard wings exhibited delayed aerodynamic force production until just prior to fledging (day 60), and showed dramatic improvement within a condensed 2-week period. These differences in timing may be related to mechanisms of escape used by juveniles, with mallards swimming to safety and chukar flap-running up slopes to take refuge. Future comparative work should test whether the need for early onset of aerodynamic force production in the chukar, compared with delayed, but rapid, change in the mallard wing, leads to a limited repertoire of flight behavior in adult chukar compared with mallards.

Novel scanning electron microscope bulge test technique integrated with loading function

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

Li, Chuanwei; Xie, Huimin, E-mail: liuzw@bit.edu.cn, E-mail: xiehm@mail.tsinghua.edu.cn; Liu, Zhanwei, E-mail: liuzw@bit.edu.cn, E-mail: xiehm@mail.tsinghua.edu.cn

2014-10-15

Membranes and film-on-substrate structures are critical elements for some devices in electronics industry and for Micro Electro Mechanical Systems devices. These structures are normally at the scale of micrometer or even nanometer. Thus, the measurement for the mechanical property of these membranes poses a challenge over the conventional measurements at macro-scales. In this study, a novel bulge test method is presented for the evaluation of mechanical property of micro thin membranes. Three aspects are discussed in the study: (a) A novel bulge test with a Scanning Electron Microscope system realizing the function of loading and measuring simultaneously; (b) a simplifiedmore » Digital Image Correlation method for a height measurement; and (c) an imaging distortion correction by the introduction of a scanning Moiré method. Combined with the above techniques, biaxial modulus as well as Young's modulus of the polyimide film can be determined. Besides, a standard tensile test is conducted as an auxiliary experiment to validate the feasibility of the proposed method.« less

Virtual Model Validation of Complex Multiscale Systems: Applications to Nonlinear Elastostatics

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

Oden, John Tinsley; Prudencio, Ernest E.; Bauman, Paul T.

We propose a virtual statistical validation process as an aid to the design of experiments for the validation of phenomenological models of the behavior of material bodies, with focus on those cases in which knowledge of the fabrication process used to manufacture the body can provide information on the micro-molecular-scale properties underlying macroscale behavior. One example is given by models of elastomeric solids fabricated using polymerization processes. We describe a framework for model validation that involves Bayesian updates of parameters in statistical calibration and validation phases. The process enables the quanti cation of uncertainty in quantities of interest (QoIs) andmore » the determination of model consistency using tools of statistical information theory. We assert that microscale information drawn from molecular models of the fabrication of the body provides a valuable source of prior information on parameters as well as a means for estimating model bias and designing virtual validation experiments to provide information gain over calibration posteriors.« less

Nanoscale deicing by molecular dynamics simulation.

PubMed

Xiao, Senbo; He, Jianying; Zhang, Zhiliang

2016-08-14

Deicing is important to human activities in low-temperature circumstances, and is critical for combating the damage caused by excessive accumulation of ice. The aim of creating anti-icing materials, surfaces and applications relies on the understanding of fundamental nanoscale ice adhesion mechanics. Here in this study, we employ all-atom modeling and molecular dynamics simulation to investigate ice adhesion. We apply force to detach and shear nano-sized ice cubes for probing the determinants of atomistic adhesion mechanics, and at the same time investigate the mechanical effect of a sandwiched aqueous water layer between ice and substrates. We observe that high interfacial energy restricts ice mobility and increases both ice detaching and shearing stresses. We quantify up to a 60% decrease in ice adhesion strength by an aqueous water layer, and provide atomistic details that support previous experimental studies. Our results contribute quantitative comparison of nanoscale adhesion strength of ice on hydrophobic and hydrophilic surfaces, and supply for the first time theoretical references for understanding the mechanics at the atomistic origins of macroscale ice adhesion.

Hierarchical flexural strength of enamel: transition from brittle to damage-tolerant behaviour

PubMed Central

Bechtle, Sabine; Özcoban, Hüseyin; Lilleodden, Erica T.; Huber, Norbert; Schreyer, Andreas; Swain, Michael V.; Schneider, Gerold A.

2012-01-01

Hard, biological materials are generally hierarchically structured from the nano- to the macro-scale in a somewhat self-similar manner consisting of mineral units surrounded by a soft protein shell. Considerable efforts are underway to mimic such materials because of their structurally optimized mechanical functionality of being hard and stiff as well as damage-tolerant. However, it is unclear how different hierarchical levels interact to achieve this performance. In this study, we consider dental enamel as a representative, biological hierarchical structure and determine its flexural strength and elastic modulus at three levels of hierarchy using focused ion beam (FIB) prepared cantilevers of micrometre size. The results are compared and analysed using a theoretical model proposed by Jäger and Fratzl and developed by Gao and co-workers. Both properties decrease with increasing hierarchical dimension along with a switch in mechanical behaviour from linear-elastic to elastic-inelastic. We found Gao's model matched the results very well. PMID:22031729

Monitoring Network and Interfacial Healing Processes by Broadband Dielectric Spectroscopy: A Case Study on Natural Rubber.

PubMed

Hernández, M; Grande, A M; van der Zwaag, S; García, S J

2016-04-27

Broadband dielectric spectroscopy (BDS) is introduced as a new and powerful technique to monitor network and macroscale damage healing in an elastomer. For the proof of concept, a partially cured sulfur-cured natural rubber (NR) containing reversible disulfides as the healing moiety was employed. The forms of damage healed and monitored were an invisible damage in the rubber network due to multiple straining and an imposed macroscopic crack. The relaxation times of pristine, damaged, and healed samples were determined and fitted to the Havriliak-Negami equation to obtain the characteristic polymer parameters. It is shown that seemingly full mechanical healing occurred regardless the type of damage, while BDS demonstrates that the polymer architecture in the healed material differs from that in the original one. These results represent a step forward in the understanding of damage and healing processes in intrinsic self-healing polymer systems with prospective applications such as coatings, tires, seals, and gaskets.

From nanoscale to macroscale: Engineering biomass derivatives with nitrogen doping for tailoring dielectric properties and electromagnetic absorption

NASA Astrophysics Data System (ADS)

Wang, Yana; Zhou, Zhili; Chen, Mingji; Huang, Yixing; Wang, Changxian; Song, Wei-Li

2018-05-01

Since achievement in electromagnetic (EM) technology dramatically promotes the critical requirement in developing advanced EM response materials, which are required to hold various advantageous features in light weight, small thickness, strong reflection loss and broadband absorption, the most important requirements, i.e. strong reflection loss and broadband absorption, are still highly pursued because of the intrinsic shortage in conventional EM absorbers. For addressing such critical problems, a unique three-dimensional nitrogen doped carbon monolith was demonstrated to understand the effects of the nitrogen doping on the dielectric and microwave absorption performance. The chemical components of the nitrogen doped carbon monoliths have been quantitatively determined for fully understanding the effects of nanoscale structures on the macroscopic composites. A modified Cole-Cole plot is plotted for guiding the chemical doping and material process, aiming to realizing the best matching conditions. The results have promised a universal route for achieving advanced materials with strong and broadband EM absorption.

Cu-free 1,3-dipolar cycloaddition click reactions to form isoxazole linkers in chelating ligands for fac-[M(I)(CO)3]+ centers (M = Re, 99mTc).

PubMed

Bottorff, Shalina C; Kasten, Benjamin B; Stojakovic, Jelena; Moore, Adam L; MacGillivray, Leonard R; Benny, Paul D

2014-02-17

Isoxazole ring formation was examined as a potential Cu-free alternative click reaction to Cu(I)-catalyzed alkyne/azide cycloaddition. The isoxazole reaction was explored at macroscopic and radiotracer concentrations with the fac-[M(I)(CO)3](+) (M = Re, (99m)Tc) core for use as a noncoordinating linker strategy between covalently linked molecules. Two click assembly methods (click, then chelate and chelate, then click) were examined to determine the feasibility of isoxazole ring formation with either alkyne-functionalized tridentate chelates or their respective fac-[M(I)(CO)3](+) complexes with a model nitrile oxide generator. Macroscale experiments, alkyne-functionalized chelates, or Re complexes indicate facile formation of the isoxazole ring. (99m)Tc experiments demonstrate efficient radiolabeling with click, then chelate; however, the chelate, then click approach led to faster product formation, but lower yields compared to the Re analogues.

Spreading Speed of Magnetopause Reconnection X-Lines Using Ground-Satellite Coordination

NASA Astrophysics Data System (ADS)

Zou, Ying; Walsh, Brian M.; Nishimura, Yukitoshi; Angelopoulos, Vassilis; Ruohoniemi, J. Michael; McWilliams, Kathryn A.; Nishitani, Nozomu

2018-01-01

Conceptual and numerical models predict that magnetic reconnection starts at a localized region and then spreads out of the reconnection plane. At the Earth's magnetopause this spreading would occur primarily in local time along the boundary. Different simulations have found the spreading to occur at different speeds such as the Alfvén speed and speed of the current carriers. We use conjugate Time History of Events and Macroscale Interactions during Substorms (THEMIS) spacecraft and Super Dual Auroral Radar Network (SuperDARN) radar measurements to observationally determine the X-line spreading speed at the magnetopause. THEMIS probes the reconnection parameters locally, and SuperDARN tracks the reconnection development remotely. Spreading speeds under different magnetopause boundary conditions are obtained and compared with model predictions. We find that while spreading under weak guide field could be explained by either the current carriers or the Alfvén waves, spreading under strong guide field is consistent only with the current carriers.

KSC-06pd2792

NASA Image and Video Library

2006-12-11

KENNEDY SPACE CENTER, FLA. -- At Astrotech Space Operations in Titusville, Fla., one of the probes of the THEMIS spacecraft is revealed after the crate and cover were removed. THEMIS, which stands for Time History of Events and Macroscale Interactions during Substorms, comprises five identical probes that will study the dynamic and colorful eruptions of auroras. THEMIS is scheduled to launch Feb. 15 from Cape Canaveral Air Force Station. Photo credit: NASA/George Shelton

KSC-06pd2793

NASA Image and Video Library

2006-12-11

KENNEDY SPACE CENTER, FLA. -- At Astrotech Space Operations in Titusville, Fla., one of the probes of the THEMIS spacecraft is revealed after the crate and cover were removed. THEMIS, which stands for Time History of Events and Macroscale Interactions during Substorms, comprises five identical probes that will study the dynamic and colorful eruptions of auroras. THEMIS is scheduled to launch Feb. 15 from Cape Canaveral Air Force Station. Photo credit: NASA/George Shelton

Predicting Macroscale Effects Through Nanoscale Features

DTIC Science & Technology

2012-01-01

errors become incorrectly computed by the basic OLS technique. To test for the presence of heteroscedasticity the Breusch - Pagan / Cook-Weisberg test ...is employed with the test statistics distributed as 2 with the degrees of freedom equal to the number of regressors. The Breusch - Pagan / Cook...between shock sensitivity and Sm does not exhibit any heteroscedasticity. The Breusch - Pagan / Cook-Weisberg test provides 2(1)=1.73, which

Multicomponent, Multiphase Thermodynamics of Swelling Porous Media With Electroquasistatics. 1. Macroscale Field Equations

DTIC Science & Technology

2001-08-08

entropy inequality with independent variables consistent with several natural systems and apply the resulting constitutive theory near equi- librium...1973. [3] L. S. Bennethum and J. H. Cushman. Multiscale , hybrid mixture theory for swelling systems - I: Balance laws. International Journal of...Engineering Science, 34(2):125–145, 1996. [4] L. S. Bennethum and J. H. Cushman. Multiscale , hybrid mixture theory for swelling systems - II: Constitutive

Characterization of Non-Organized Soils at Gusev Crater with the Spirit Rover Data

NASA Technical Reports Server (NTRS)

Cabrol, N. A.; Greeley, R.

2005-01-01

We surveyed the characteristic of non-organized soils at Gusev crater at microscale and macroscale in four main traverse regions: (1) Landing site to Bonneville crater; (2) Bonneville to West Spur; (3) the West Spur region; and (4) the Columbia Hills up to sol 363. Non-organized soils are defined as soils traversed by Spirit that do not include drifts, ripples, or dunes.

How to Test the SME with Space Missions?

NASA Technical Reports Server (NTRS)

Hees, A.; Lamine, B.; Le Poncin-Lafitte, C.; Wolf, P.

2013-01-01

In this communication, we focus on possibilities to constrain SME coefficients using Cassini and Messenger data. We present simulations of radio science observables within the framework of the SME, identify the linear combinations of SME coefficients the observations depend on and determine the sensitivity of these measurements to the SME coefficients. We show that these datasets are very powerful for constraining SME coefficients.

Functional adaptation of crustacean exoskeletal elements through structural and compositional diversity: a combined experimental and theoretical study.

PubMed

Fabritius, Helge-Otto; Ziegler, Andreas; Friák, Martin; Nikolov, Svetoslav; Huber, Julia; Seidl, Bastian H M; Ruangchai, Sukhum; Alagboso, Francisca I; Karsten, Simone; Lu, Jin; Janus, Anna M; Petrov, Michal; Zhu, Li-Fang; Hemzalová, Pavlína; Hild, Sabine; Raabe, Dierk; Neugebauer, Jörg

2016-09-09

The crustacean cuticle is a composite material that covers the whole animal and forms the continuous exoskeleton. Nano-fibers composed of chitin and protein molecules form most of the organic matrix of the cuticle that, at the macroscale, is organized in up to eight hierarchical levels. At least two of them, the exo- and endocuticle, contain a mineral phase of mainly Mg-calcite, amorphous calcium carbonate and phosphate. The high number of hierarchical levels and the compositional diversity provide a high degree of freedom for varying the physical, in particular mechanical, properties of the material. This makes the cuticle a versatile material ideally suited to form a variety of skeletal elements that are adapted to different functions and the eco-physiological strains of individual species. This review presents our recent analytical, experimental and theoretical studies on the cuticle, summarising at which hierarchical levels structure and composition are modified to achieve the required physical properties. We describe our multi-scale hierarchical modeling approach based on the results from these studies, aiming at systematically predicting the structure-composition-property relations of cuticle composites from the molecular level to the macro-scale. This modeling approach provides a tool to facilitate the development of optimized biomimetic materials within a knowledge-based design approach.

Continuum-Kinetic Models and Numerical Methods for Multiphase Applications

NASA Astrophysics Data System (ADS)

Nault, Isaac Michael

This thesis presents a continuum-kinetic approach for modeling general problems in multiphase solid mechanics. In this context, a continuum model refers to any model, typically on the macro-scale, in which continuous state variables are used to capture the most important physics: conservation of mass, momentum, and energy. A kinetic model refers to any model, typically on the meso-scale, which captures the statistical motion and evolution of microscopic entitites. Multiphase phenomena usually involve non-negligible micro or meso-scopic effects at the interfaces between phases. The approach developed in the thesis attempts to combine the computational performance benefits of a continuum model with the physical accuracy of a kinetic model when applied to a multiphase problem. The approach is applied to modeling a single particle impact in Cold Spray, an engineering process that intimately involves the interaction of crystal grains with high-magnitude elastic waves. Such a situation could be classified a multiphase application due to the discrete nature of grains on the spatial scale of the problem. For this application, a hyper elasto-plastic model is solved by a finite volume method with approximate Riemann solver. The results of this model are compared for two types of plastic closure: a phenomenological macro-scale constitutive law, and a physics-based meso-scale Crystal Plasticity model.

Averaging Theory for Description of Environmental Problems: What Have We Learned?

PubMed Central

Miller, Cass T.; Schrefler, Bernhard A.

2012-01-01

Advances in Water Resources has been a prime archival source for implementation of averaging theories in changing the scale at which processes of importance in environmental modeling are described. Thus in celebration of the 35th year of this journal, it seems appropriate to assess what has been learned about these theories and about their utility in describing systems of interest. We review advances in understanding and use of averaging theories to describe porous medium flow and transport at the macroscale, an averaged scale that models spatial variability, and at the megascale, an integral scale that only considers time variation of system properties. We detail physical insights gained from the development and application of averaging theory for flow through porous medium systems and for the behavior of solids at the macroscale. We show the relationship between standard models that are typically applied and more rigorous models that are derived using modern averaging theory. We discuss how the results derived from averaging theory that are available can be built upon and applied broadly within the community. We highlight opportunities and needs that exist for collaborations among theorists, numerical analysts, and experimentalists to advance the new classes of models that have been derived. Lastly, we comment on averaging developments for rivers, estuaries, and watersheds. PMID:23393409

Multiscale finite element modeling of sheet molding compound (SMC) composite structure based on stochastic mesostructure reconstruction

DOE PAGES

Chen, Zhangxing; Huang, Tianyu; Shao, Yimin; ...

2018-03-15

Predicting the mechanical behavior of the chopped carbon fiber Sheet Molding Compound (SMC) due to spatial variations in local material properties is critical for the structural performance analysis but is computationally challenging. Such spatial variations are induced by the material flow in the compression molding process. In this work, a new multiscale SMC modeling framework and the associated computational techniques are developed to provide accurate and efficient predictions of SMC mechanical performance. The proposed multiscale modeling framework contains three modules. First, a stochastic algorithm for 3D chip-packing reconstruction is developed to efficiently generate the SMC mesoscale Representative Volume Element (RVE)more » model for Finite Element Analysis (FEA). A new fiber orientation tensor recovery function is embedded in the reconstruction algorithm to match reconstructions with the target characteristics of fiber orientation distribution. Second, a metamodeling module is established to improve the computational efficiency by creating the surrogates of mesoscale analyses. Third, the macroscale behaviors are predicted by an efficient multiscale model, in which the spatially varying material properties are obtained based on the local fiber orientation tensors. Our approach is further validated through experiments at both meso- and macro-scales, such as tensile tests assisted by Digital Image Correlation (DIC) and mesostructure imaging.« less

Simulation of synthetic gecko arrays shearing on rough surfaces

PubMed Central

Gillies, Andrew G.; Fearing, Ronald S.

2014-01-01

To better understand the role of surface roughness and tip geometry in the adhesion of gecko synthetic adhesives, a model is developed that attempts to uncover the relationship between surface feature size and the adhesive terminal feature shape. This model is the first to predict the adhesive behaviour of a plurality of hairs acting in shear on simulated rough surfaces using analytically derived contact models. The models showed that the nanoscale geometry of the tip shape alters the macroscale adhesion of the array of fibres by nearly an order of magnitude, and that on sinusoidal surfaces with amplitudes much larger than the nanoscale features, spatula-shaped features can increase adhesive forces by 2.5 times on smooth surfaces and 10 times on rough surfaces. Interestingly, the summation of the fibres acting in concert shows behaviour much more complex that what could be predicted with the pull-off model of a single fibre. Both the Johnson–Kendall–Roberts and Kendall peel models can explain the experimentally observed frictional adhesion effect previously described in the literature. Similar to experimental results recently reported on the macroscale features of the gecko adhesive system, adhesion drops dramatically when surface roughness exceeds the size and spacing of the adhesive fibrillar features. PMID:24694893

Aqueous two-phase printing of cell-containing contractile collagen microgels.

PubMed

Moraes, Christopher; Simon, Arlyne B; Putnam, Andrew J; Takayama, Shuichi

2013-12-01

This work describes the use of aqueous two-phase systems to print cell-containing contractile collagen microdroplets. The fully aqueous conditions enable convenient formation of sub-microliter 'microgels' that are much smaller than otherwise possible to fabricate while maintaining high cell viability. The produced microgels contract over several days, mimicking the behavior of macroscale contraction assays, which have been valued as an important biological readout for over three decades. Use of microgels not only reduces reagent consumption and increases throughput of the assay, but also improves transport of molecules into and out of the collagen matrix, thereby enabling efficient and more precise studies of timed stimulation profiles. Utility of the technology is demonstrated by analyzing the effects of TGF-β1 on gel contraction, and we demonstrate that brief 'burst' stimulation profiles in microgels prompt contraction of the matrix, a feature not observed in the conventional macroscale assay. The fully aqueous process also enables the integration of contractile collagen microgels within existing cell culture systems, and we demonstrate proof-of-principle experiments in which a contractile collagen droplet is fabricated in situ on an existing epithelial monolayer. The simplicity, versatility and ability to robustly produce collagen microgels should allow effective translation of this microengineering technology into a variety of research environments. Copyright © 2013 Elsevier Ltd. All rights reserved.

Investigation of shear damage considering the evolution of anisotropy

NASA Astrophysics Data System (ADS)

Kweon, S.

2013-12-01

The damage that occurs in shear deformations in view of anisotropy evolution is investigated. It is widely believed in the mechanics research community that damage (or porosity) does not evolve (increase) in shear deformations since the hydrostatic stress in shear is zero. This paper proves that the above statement can be false in large deformations of simple shear. The simulation using the proposed anisotropic ductile fracture model (macro-scale) in this study indicates that hydrostatic stress becomes nonzero and (thus) porosity evolves (increases or decreases) in the simple shear deformation of anisotropic (orthotropic) materials. The simple shear simulation using a crystal plasticity based damage model (meso-scale) shows the same physics as manifested in the above macro-scale model that porosity evolves due to the grain-to-grain interaction, i.e., due to the evolution of anisotropy. Through a series of simple shear simulations, this study investigates the effect of the evolution of anisotropy, i.e., the rotation of the orthotropic axes onto the damage (porosity) evolution. The effect of the evolutions of void orientation and void shape onto the damage (porosity) evolution is investigated as well. It is found out that the interaction among porosity, the matrix anisotropy and void orientation/shape plays a crucial role in the ductile damage of porous materials.

High-Fat, High-Sugar Diet-Induced Subendothelial Matrix Stiffening is Mitigated by Exercise.

PubMed

Kohn, Julie C; Azar, Julian; Seta, Francesca; Reinhart-King, Cynthia A

2018-03-01

Consumption of a high-fat, high-sugar diet and sedentary lifestyle are correlated with bulk arterial stiffening. While measurements of bulk arterial stiffening are used to assess cardiovascular health clinically, they cannot account for changes to the tissue occurring on the cellular scale. The compliance of the subendothelial matrix in the intima mediates vascular permeability, an initiating step in atherosclerosis. High-fat, high-sugar diet consumption and a sedentary lifestyle both cause micro-scale subendothelial matrix stiffening, but the impact of these factors in concert remains unknown. In this study, mice on a high-fat, high-sugar diet were treated with aerobic exercise or returned to a normal diet. We measured bulk arterial stiffness through pulse wave velocity and subendothelial matrix stiffness ex vivo through atomic force microscopy. Our data indicate that while diet reversal mitigates high-fat, high-sugar diet-induced macro- and micro-scale stiffening, exercise only significantly decreases micro-scale stiffness and not macro-scale stiffness, during the time-scale studied. These data underscore the need for both healthy diet and exercise to maintain vascular health. These data also indicate that exercise may serve as a key lifestyle modification to partially reverse the deleterious impacts of high-fat, high-sugar diet consumption, even while macro-scale stiffness indicators do not change.

A predictive parameter estimation approach for the thermodynamically constrained averaging theory applied to diffusion in porous media

NASA Astrophysics Data System (ADS)

Valdes-Parada, F. J.; Ostvar, S.; Wood, B. D.; Miller, C. T.

2017-12-01

Modeling of hierarchical systems such as porous media can be performed by different approaches that bridge microscale physics to the macroscale. Among the several alternatives available in the literature, the thermodynamically constrained averaging theory (TCAT) has emerged as a robust modeling approach that provides macroscale models that are consistent across scales. For specific closure relation forms, TCAT models are expressed in terms of parameters that depend upon the physical system under study. These parameters are usually obtained from inverse modeling based upon either experimental data or direct numerical simulation at the pore scale. Other upscaling approaches, such as the method of volume averaging, involve an a priori scheme for parameter estimation for certain microscale and transport conditions. In this work, we show how such a predictive scheme can be implemented in TCAT by studying the simple problem of single-phase passive diffusion in rigid and homogeneous porous media. The components of the effective diffusivity tensor are predicted for several porous media by solving ancillary boundary-value problems in periodic unit cells. The results are validated through a comparison with data from direct numerical simulation. This extension of TCAT constitutes a useful advance for certain classes of problems amenable to this estimation approach.

Toward a social-ecological theory of forest macrosystems for improved ecosystem management

USGS Publications Warehouse

Kleindl, William J.; Stoy, Paul C.; Binford, Michael W.; Desai, Ankur R.; Dietze, Michael C.; Schultz, Courtney A.; Starr, Gregory; Staudhammer, Christina; Wood, David J. A.

2018-01-01

The implications of cumulative land-use decisions and shifting climate on forests, require us to integrate our understanding of ecosystems, markets, policy, and resource management into a social-ecological system. Humans play a central role in macrosystem dynamics, which complicates ecological theories that do not explicitly include human interactions. These dynamics also impact ecological services and related markets, which challenges economic theory. Here, we use two forest macroscale management initiatives to develop a theoretical understanding of how management interacts with ecological functions and services at these scales and how the multiple large-scale management goals work either in consort or conflict with other forest functions and services. We suggest that calling upon theories developed for organismal ecology, ecosystem ecology, and ecological economics adds to our understanding of social-ecological macrosystems. To initiate progress, we propose future research questions to add rigor to macrosystem-scale studies: (1) What are the ecosystem functions that operate at macroscales, their necessary structural components, and how do we observe them? (2) How do systems at one scale respond if altered at another scale? (3) How do we both effectively measure these components and interactions, and communicate that information in a meaningful manner for policy and management across different scales?

Nano- and Macro-wear of Bio-carbo-nitrided AISI 8620 Steel Surfaces

NASA Astrophysics Data System (ADS)

Arthur, Emmanuel Kwesi; Ampaw, Edward; Zebaze Kana, M. G.; Adetunji, A. R.; Olusunle, S. O. O.; Adewoye, O. O.; Soboyejo, W. O.

2015-12-01

This paper presents the results of an experimental study of nano- and macro-scale wear in a carbo-nitrided AISI 8620 steel. Carbo-nitriding is carried out using a novel method that involves the use of dried, cyanide-containing cassava leaves, as sources of carbon and nitrogen. These are used in a pack cementation that is used to diffuse carbon and nitrogen into case layers at intermediate temperatures [673.15 K, 723.15 K, 773.15 K, and 823.15 K (400 °C, 450 °C, 500 °C, and 550 °C)]. Nano- and macro-scale wear properties are studied in the case-hardened surfaces, using a combination of nano-scratch and pin-on-disk experiments. The measured wear volumes (at both nano- and macro-length scales) are shown to increase with decreasing pack cyaniding temperature. The nano- and macro-wear resistances are also shown to be enhanced by the in situ diffusion of carbon and nitrogen from cyanide-containing bio-processed waste. The underlying wear mechanisms are also elucidated via atomic force microscopy and scanning electron microscopy observations of the wear tracks. The implications of the results are discussed for the design of hardened carbo-nitrided steel surfaces with improved wear resistance.

High-efficiency integrated piezoelectric energy harvesting systems

NASA Astrophysics Data System (ADS)

Hande, Abhiman; Shah, Pradeep

2010-04-01

This paper describes hierarchically architectured development of an energy harvesting (EH) system that consists of micro and/or macro-scale harvesters matched to multiple components of remote wireless sensor and communication nodes. The micro-scale harvesters consist of thin-film MEMS piezoelectric cantilever arrays and power generation modules in IC-like form to allow efficient EH from vibrations. The design uses new high conversion efficiency thin-film processes combined with novel cantilever structures tuned to multiple resonant frequencies as broadband arrays. The macro-scale harvesters are used to power the collector nodes that have higher power specifications. These bulk harvesters can be integrated with efficient adaptive power management circuits that match transducer impedance and maximize power harvested from multiple scavenging sources with very low intrinsic power consumption. Texas MicroPower, Inc. is developing process based on a composition that has the highest reported energy density as compared to other commercially available bulk PZT-based sensor/actuator ceramic materials and extending it to thin-film materials and miniature conversion transducer structures. The multiform factor harvesters can be deployed for several military and commercial applications such as underground unattended sensors, sensors in oil rigs, structural health monitoring, supply chain management, and battlefield applications such as sensors on soldier apparel, equipment, and wearable electronics.

Multiscale finite element modeling of sheet molding compound (SMC) composite structure based on stochastic mesostructure reconstruction

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

Chen, Zhangxing; Huang, Tianyu; Shao, Yimin

Predicting the mechanical behavior of the chopped carbon fiber Sheet Molding Compound (SMC) due to spatial variations in local material properties is critical for the structural performance analysis but is computationally challenging. Such spatial variations are induced by the material flow in the compression molding process. In this work, a new multiscale SMC modeling framework and the associated computational techniques are developed to provide accurate and efficient predictions of SMC mechanical performance. The proposed multiscale modeling framework contains three modules. First, a stochastic algorithm for 3D chip-packing reconstruction is developed to efficiently generate the SMC mesoscale Representative Volume Element (RVE)more » model for Finite Element Analysis (FEA). A new fiber orientation tensor recovery function is embedded in the reconstruction algorithm to match reconstructions with the target characteristics of fiber orientation distribution. Second, a metamodeling module is established to improve the computational efficiency by creating the surrogates of mesoscale analyses. Third, the macroscale behaviors are predicted by an efficient multiscale model, in which the spatially varying material properties are obtained based on the local fiber orientation tensors. Our approach is further validated through experiments at both meso- and macro-scales, such as tensile tests assisted by Digital Image Correlation (DIC) and mesostructure imaging.« less

Components for Atomistic-to-Continuum Multiscale Modeling of Flow in Micro- and Nanofluidic Systems

DOE PAGES

Adalsteinsson, Helgi; Debusschere, Bert J.; Long, Kevin R.; ...

2008-01-01

Micro- and nanofluidics pose a series of significant challenges for science-based modeling. Key among those are the wide separation of length- and timescales between interface phenomena and bulk flow and the spatially heterogeneous solution properties near solid-liquid interfaces. It is not uncommon for characteristic scales in these systems to span nine orders of magnitude from the atomic motions in particle dynamics up to evolution of mass transport at the macroscale level, making explicit particle models intractable for all but the simplest systems. Recently, atomistic-to-continuum (A2C) multiscale simulations have gained a lot of interest as an approach to rigorously handle particle-levelmore » dynamics while also tracking evolution of large-scale macroscale behavior. While these methods are clearly not applicable to all classes of simulations, they are finding traction in systems in which tight-binding, and physically important, dynamics at system interfaces have complex effects on the slower-evolving large-scale evolution of the surrounding medium. These conditions allow decomposition of the simulation into discrete domains, either spatially or temporally. In this paper, we describe how features of domain decomposed simulation systems can be harnessed to yield flexible and efficient software for multiscale simulations of electric field-driven micro- and nanofluidics.« less

Intermediate-filaments: from disordered building blocks to well-ordered cells

NASA Astrophysics Data System (ADS)

Kornreich, Micha; Malka-Gibor, Eti; Laser-Azogui, Adi; Doron, Ofer; Avinery, Ram; Herrmann, Harald; Beck, Roy

In the past decade it was found that ~50% of human proteins contain long disordered regions, which play significant functional roles. As these regions lack a defined 3D folded structure, their ensemble conformations can be studied using polymer physics statistical-mechanics arguments. We measure the structure and mechanical response of hydrogels composed of neuronal intermediate filaments proteins. In the nervous system, these proteins provide cells with their mechanical support and shape, via interactions of their long, highly charged and disordered protein chains. We employ synchrotron small-angle X-ray scattering and various microscopy techniques to investigate such hydrogels from the nano- to the macro-scale. In contrast to previous polymer physics theories and experiments, we find that shorter and less charged chains can promote network expansion. The results are explained by intricate interactions between specific domains on the interacting chains, and also suggest a novel structural justification for the changing protein compositions observed during neuronal development. We address the following questions: Can protein disorder have an important role in cellular architecture? Can structural disorder in the micro-scale induce orientational and translational order on the macro-scale? How do the physical properties of disordered protein regions, such as charge, length, and hydrophobicity, modulate the cellular super-structure?

Drivers of Non-Native Aquatic Species Invasions across the ...

EPA Pesticide Factsheets

Background/Question/Methods Mapping the geographic distribution of non-native aquatic species is a critically important precursor to understanding the anthropogenic and environmental factors that drive freshwater biological invasions. Such efforts are often limited to local scales and/or to a single taxa, missing the opportunity to observe and understand the drivers of macroscale invasion patterns at sub-continental or continental scales. Here we map the distribution of exotic freshwater species richness across the continental United States using publicly accessible species occurrence data (e.g GBIF) and investigate the role of human activity in driving macroscale patterns of aquatic invasion. Using a dasymetric model of human population density and a spatially explicit model of recreational freshwater fishing demand, we analyzed the effect of these metrics of human influence on non-native aquatic species richness at the watershed scale, while controlling for spatial and sampling bias. We also assessed the effects that a temporal mismatch between occurrence data (collected since 1815) and cross-sectional predictors (developed using 2010 data) may have on model fit. Results/Conclusions Our results indicated that non-native aquatic species richness exhibits a highly patchy distribution, with hotspots in the Northeast, Great Lakes, Florida, and human population centers on the Pacific coast. These richness patterns are correlated with population density, but are m

Heart valve scaffold fabrication: Bioinspired control of macro-scale morphology, mechanics and micro-structure.

PubMed

D'Amore, Antonio; Luketich, Samuel K; Raffa, Giuseppe M; Olia, Salim; Menallo, Giorgio; Mazzola, Antonino; D'Accardi, Flavio; Grunberg, Tamir; Gu, Xinzhu; Pilato, Michele; Kameneva, Marina V; Badhwar, Vinay; Wagner, William R

2018-01-01

Valvular heart disease is currently treated with mechanical valves, which benefit from longevity, but are burdened by chronic anticoagulation therapy, or with bioprosthetic valves, which have reduced thromboembolic risk, but limited durability. Tissue engineered heart valves have been proposed to resolve these issues by implanting a scaffold that is replaced by endogenous growth, leaving autologous, functional leaflets that would putatively eliminate the need for anticoagulation and avoid calcification. Despite the diversity in fabrication strategies and encouraging results in large animal models, control over engineered valve structure-function remains at best partial. This study aimed to overcome these limitations by introducing double component deposition (DCD), an electrodeposition technique that employs multi-phase electrodes to dictate valve macro and microstructure and resultant function. Results in this report demonstrate the capacity of the DCD method to simultaneously control scaffold macro-scale morphology, mechanics and microstructure while producing fully assembled stent-less multi-leaflet valves composed of microscopic fibers. DCD engineered valve characterization included: leaflet thickness, biaxial properties, bending properties, and quantitative structural analysis of multi-photon and scanning electron micrographs. Quasi-static ex-vivo valve coaptation testing and dynamic organ level functional assessment in a pressure pulse duplicating device demonstrated appropriate acute valve functionality. Copyright © 2017. Published by Elsevier Ltd.

Design of coated standing nanowire array solar cell performing beyond the planar efficiency limits

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

Zeng, Yang; Ye, Qinghao; Shen, Wenzhong, E-mail: wzshen@sjtu.edu.cn

2016-05-28

The single standing nanowire (SNW) solar cells have been proven to perform beyond the planar efficiency limits in both open-circuit voltage and internal quantum efficiency due to the built-in concentration and the shifting of the absorption front. However, the expandability of these nano-scale units to a macro-scale photovoltaic device remains unsolved. The main difficulty lies in the simultaneous preservation of an effective built-in concentration in each unit cell and a broadband high absorption capability of their array. Here, we have provided a detailed theoretical guideline for realizing a macro-scale solar cell that performs furthest beyond the planar limits. The keymore » lies in a complementary design between the light-trapping of the single SNWs and that of the photonic crystal slab formed by the array. By tuning the hybrid HE modes of the SNWs through the thickness of a coaxial dielectric coating, the optimized coated SNW array can sustain an absorption rate over 97.5% for a period as large as 425 nm, which, together with the inherited carrier extraction advantage, leads to a cell efficiency increment of 30% over the planar limit. This work has demonstrated the viability of a large-size solar cell that performs beyond the planar limits.« less

Escape of a knot from a DNA molecule in flow

NASA Astrophysics Data System (ADS)

Renner, Benjamin; Doyle, Patrick

2014-03-01

Macroscale knots are an everyday occurrence when trying to unravel an unorganized flexible string (e.g. an iPhone cord taken out of your pocket). In nature, knots are found in proteins and viral capsid DNA, and the properties imbued by their topologies are thought to have biological significance. Unlike their macroscale counterparts, thermal fluctuations greatly influence the dynamics of polymer knots. Here, we use Brownian Dynamics simulations to study knot diffusion along a linear polymer chain. The model is parameterized to dsDNA, a model polymer used in previous simulation and experimental studies of knot dynamics. We have used this model to study the process of knot escape and transport along a dsDNA strand extended by an elongational flow. For a range of knot topologies and flow strengths, we show scalings that result in collapse of the data onto a master curve. We show a topologically mediated mode of transport coincides with observed differences in rates of knot transport, and we provide a simple mechanistic explanation for its effect. We anticipate these results will build on the growing body of fundamental studies of knotted polymers and inform future experimental study. This work is supported by the Singapore-MIT Alliance for Research and Technology (SMART) and National Science Foundation (NSF) grant CBET-0852235.

Increased Tensile Strength of Carbon Nanotube Yarns and Sheets through Chemical Modification and Electron Beam Irradiation

NASA Technical Reports Server (NTRS)

Miller, Sandi G.; Williams, Tiffany S.; Baker, James S.; Sola, Francisco; Lebron-Colon, Marisabel; McCorkle, Linda S.; Wilmoth, Nathan G.; Gaier, James; Chen, Michelle; Meador, Michael A.

2014-01-01

The inherent strength of individual carbon nanotubes offers considerable opportunity for the development of advanced, lightweight composite structures. Recent work in the fabrication and application of carbon nanotube (CNT) forms such as yarns and sheets has addressed early nanocomposite limitations with respect to nanotube dispersion and loading; and has pushed the technology toward structural composite applications. However, the high tensile strength of an individual CNT has not directly translated to macro-scale CNT forms where bulk material strength is limited by inter-tube electrostatic attraction and slippage. The focus of this work was to assess post processing of CNT sheet and yarn to improve the macro-scale strength of these material forms. Both small molecule functionalization and e-beam irradiation was evaluated as a means to enhance tensile strength and Youngs modulus of the bulk CNT material. Mechanical testing results revealed a tensile strength increase in CNT sheets by 57 when functionalized, while an additional 48 increase in tensile strength was observed when functionalized sheets were irradiated; compared to unfunctionalized sheets. Similarly, small molecule functionalization increased yarn tensile strength up to 25, whereas irradiation of the functionalized yarns pushed the tensile strength to 88 beyond that of the baseline yarn.

Development of Macroscale Models of UO 2 Fuel Sintering and Densification using Multiscale Modeling and Simulation

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

Greenquist, Ian; Tonks, Michael

2016-10-01

Light water reactor fuel pellets are fabricated using sintering to final densities of 95% or greater. During reactor operation, the porosity remaining in the fuel after fabrication decreases further due to irradiation-assisted densification. While empirical models have been developed to describe this densification process, a mechanistic model is needed as part of the ongoing work by the NEAMS program to develop a more predictive fuel performance code. In this work we will develop a phase field model of sintering of UO 2 in the MARMOT code, and validate it by comparing to published sintering data. We will then add themore » capability to capture irradiation effects into the model, and use it to develop a mechanistic model of densification that will go into the BISON code and add another essential piece to the microstructure-based materials models. The final step will be to add the effects of applied fields, to model field-assisted sintering of UO 2. The results of the phase field model will be validated by comparing to data from field-assisted sintering. Tasks over three years: 1. Develop a sintering model for UO 2 in MARMOT 2. Expand model to account for irradiation effects 3. Develop a mechanistic macroscale model of densification for BISON« less

Predicting the Activity Coefficients of Free-Solvent for Concentrated Globular Protein Solutions Using Independently Determined Physical Parameters

PubMed Central

McBride, Devin W.; Rodgers, Victor G. J.

2013-01-01

The activity coefficient is largely considered an empirical parameter that was traditionally introduced to correct the non-ideality observed in thermodynamic systems such as osmotic pressure. Here, the activity coefficient of free-solvent is related to physically realistic parameters and a mathematical expression is developed to directly predict the activity coefficients of free-solvent, for aqueous protein solutions up to near-saturation concentrations. The model is based on the free-solvent model, which has previously been shown to provide excellent prediction of the osmotic pressure of concentrated and crowded globular proteins in aqueous solutions up to near-saturation concentrations. Thus, this model uses only the independently determined, physically realizable quantities: mole fraction, solvent accessible surface area, and ion binding, in its prediction. Predictions are presented for the activity coefficients of free-solvent for near-saturated protein solutions containing either bovine serum albumin or hemoglobin. As a verification step, the predictability of the model for the activity coefficient of sucrose solutions was evaluated. The predicted activity coefficients of free-solvent are compared to the calculated activity coefficients of free-solvent based on osmotic pressure data. It is observed that the predicted activity coefficients are increasingly dependent on the solute-solvent parameters as the protein concentration increases to near-saturation concentrations. PMID:24324733

The determination of extinction coefficient of CuInS2, and ZnCuInS3 multinary nanocrystals.

PubMed

Qin, Lei; Li, Dongze; Zhang, Zhuolei; Wang, Kefei; Ding, Hong; Xie, Renguo; Yang, Wensheng

2012-10-21

A pioneering work for determining the extinction coefficient of colloidal semiconductor nanocrystals (NCs) has been cited over 1500 times (W. Yu, W. Guo, X. G. Peng, Chem. Mater., 2003, 15, 2854-2860), indicating the importance of calculating NC concentration for further research and applications. In this study, the size-dependent nature of the molar extinction coefficient of "greener" CuInS(2) and ZnCuInS(3) NCs with emission covering the whole visible to near infrared (NIR) is presented. With the increase of NC size, the resulting quantitative values of the extinction coefficients of ternary CuInS(2) and quaternary ZnCuInS(3) NCs are found to follow a power function with exponents of 2.1 and 2.5, respectively. Obviously, a larger value of extinction coefficient is observed in quaternary NCs for the same size of particles. The difference of the extinction coefficient from both samples is clearly demonstrated due to incorporating ZnS with a much larger extinction coefficient into CuInS(2) NCs.

Anisotropic diffusion of fluorescently labeled ATP in rat cardiomyocytes determined by raster image correlation spectroscopy

PubMed Central

Vendelin, Marko; Birkedal, Rikke

2008-01-01

A series of experimental data points to the existence of profound diffusion restrictions of ADP/ATP in rat cardiomyocytes. This assumption is required to explain the measurements of kinetics of respiration, sarcoplasmic reticulum loading with calcium, and kinetics of ATP-sensitive potassium channels. To be able to analyze and estimate the role of intracellular diffusion restrictions on bioenergetics, the intracellular diffusion coefficients of metabolites have to be determined. The aim of this work was to develop a practical method for determining diffusion coefficients in anisotropic medium and to estimate the overall diffusion coefficients of fluorescently labeled ATP in rat cardiomyocytes. For that, we have extended raster image correlation spectroscopy (RICS) protocols to be able to discriminate the anisotropy in the diffusion coefficient tensor. Using this extended protocol, we estimated diffusion coefficients of ATP labeled with the fluorescent conjugate Alexa Fluor 647 (Alexa-ATP). In the analysis, we assumed that the diffusion tensor can be described by two values: diffusion coefficient along the myofibril and that across it. The average diffusion coefficients found for Alexa-ATP were as follows: 83 ± 14 μm2/s in the longitudinal and 52 ± 16 μm2/s in the transverse directions (n = 8, mean ± SD). Those values are ∼2 (longitudinal) and ∼3.5 (transverse) times smaller than the diffusion coefficient value estimated for the surrounding solution. Such uneven reduction of average diffusion coefficient leads to anisotropic diffusion in rat cardiomyocytes. Although the source for such anisotropy is uncertain, we speculate that it may be induced by the ordered pattern of intracellular structures in rat cardiomyocytes. PMID:18815224

Mass attenuation coefficients of X-rays in different barite concrete used in radiation protection as shielding against ionizing radiation

NASA Astrophysics Data System (ADS)

Almeida Junior, T. Airton; Nogueira, M. S.; Vivolo, V.; Potiens, M. P. A.; Campos, L. L.

2017-11-01

The probability of a photon interacting in a particular way with a given material, per unit path length, is usually called the linear attenuation coefficient (μ), and it is of great importance in radiation shielding. Plates of barite concrete with different thickness were fabricated in order to determining their mass attenuation coefficients at different energies. The plates were irradiated with ISO X-ray beams (N60, N80, N110 and N150), generated by Pantak HF320 X-ray equipment, at the IPEN laboratory. The mass attenuation coefficients of barite concrete have been measured using X-ray attenuation for different thicknesses of barite concrete qualities of the ISO. The attenuator material issued from different regions of Brazil. The experimental procedure in this research was validated by comparison between the experimental measurements of mass attenuation coefficients and coefficients determined by the same atomic composition, using as a tool to XCOM. The highest value of (μ/ρ) found experimentally was in the energy of 48 keV, in ISO 60 N quality, being 1.32(±0.49) for purple barite; 1.47(±0.41) for white barite and 1.75(±0.41) for cream barite. The determination of the chemical composition of the barite samples was of fundamental importance for the characterization of these materials. It can be seen that both calculated and measured data for the linear attenuation coefficients increase with the increasing materials density, as it is expected. It can be concluded that the photon attenuation coefficients depends on the photon energy and the materials density is the main contribution to the photon attenuation coefficients, which is important for radiation shielding.

Effective gaseous diffusion coefficients of select ultra-fine, super-fine and medium grain nuclear graphite

DOE PAGES

Kane, Joshua J.; Matthews, Austin C.; Orme, Christopher J.; ...

2018-05-05

Understanding “Where?” and “How much?” oxidation has occurred in a nuclear graphite component is critical to predicting any deleterious effects to physical, mechanical, and thermal properties. A key factor in answering these questions is characterizing the effective mass transport rates of gas species in nuclear graphites. Effective gas diffusion coefficients were determined for twenty-six graphite specimens spanning six modern grades of nuclear graphite. A correlation was established for the majority of grades examined allowing a reasonable estimate of the effective diffusion coefficient to be determined purely from an estimate of total porosity. The importance of Knudsen diffusion to the measuredmore » diffusion coefficients is also shown for modern grades. Furthermore, Knudsen diffusion has not historically been considered to contribute to measured diffusion coefficients of nuclear graphite.« less

Effective gaseous diffusion coefficients of select ultra-fine, super-fine and medium grain nuclear graphite

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

Kane, Joshua J.; Matthews, Austin C.; Orme, Christopher J.

Understanding “Where?” and “How much?” oxidation has occurred in a nuclear graphite component is critical to predicting any deleterious effects to physical, mechanical, and thermal properties. A key factor in answering these questions is characterizing the effective mass transport rates of gas species in nuclear graphites. Effective gas diffusion coefficients were determined for twenty-six graphite specimens spanning six modern grades of nuclear graphite. A correlation was established for the majority of grades examined allowing a reasonable estimate of the effective diffusion coefficient to be determined purely from an estimate of total porosity. The importance of Knudsen diffusion to the measuredmore » diffusion coefficients is also shown for modern grades. Furthermore, Knudsen diffusion has not historically been considered to contribute to measured diffusion coefficients of nuclear graphite.« less

Stabilized determination of geopotential coefficients by the mixed hom-BLUP approach

NASA Technical Reports Server (NTRS)

Middel, B.; Schaffrin, B.

1989-01-01

For the determination of geopotential coefficients, data can be used from rather different sources, e.g., satellite tracking, gravimetry, or altimetry. As each data type is particularly sensitive to certain wavelengths of the spherical harmonic coefficients it is of essential importance how they are treated in a combination solution. For example the longer wavelengths are well described by the coefficients of a model derived by satellite tracking, while other observation types such as gravity anomalies, delta g, and geoid heights, N, from altimetry contain only poor information for these long wavelengths. Therefore, the lower coefficients of the satellite model should be treated as being superior in the combination. In the combination a new method is presented which turns out to be highly suitable for this purpose due to its great flexibility combined with robustness.

Determination of the Peltier Coefficient of Germanium in a Vertical Bridgeman-Stockbarger Furnace

NASA Technical Reports Server (NTRS)

Weigel, Michaela E. K.; Matthiesen, David H.

1997-01-01

The Peltier effect is the fundamental mechanism that makes interface demarcation through current pulsing possible. If a method for calculating the necessary current density for effective demarcation is to be developed, it will be necessary to know the value of the Peltier coefficient. This study determined experimentally the value of the Peltier coefficient for gallium-doped germanium by comparing the change in average growth rates between current-on and current-off periods. Current-on and current-off layer thickness measurements were made using differential interference contrast microscopy and atomic force microscopy. It was found that the Joule and Thomson effects could not be neglected. Peltier coefficients calculated from the experimental data with an analysis that accounts for Joule, Thomson, and Peltier effects yielded an average value for the Peltier coefficient of 0.076 +/- 0.015 V.

Determination of optical absorption coefficient with focusing photoacoustic imaging.

PubMed

Li, Zhifang; Li, Hui; Zeng, Zhiping; Xie, Wenming; Chen, Wei R

2012-06-01

Absorption coefficient of biological tissue is an important factor for photothermal therapy and photoacoustic imaging. However, its determination remains a challenge. In this paper, we propose a method using focusing photoacoustic imaging technique to quantify the target optical absorption coefficient. It utilizes the ratio of the amplitude of the peak signal from the top boundary of the target to that from the bottom boundary based on wavelet transform. This method is self-calibrating. Factors, such as absolute optical fluence, ultrasound parameters, and Grüneisen parameter, can be canceled by dividing the amplitudes of the two peaks. To demonstrate this method, we quantified the optical absorption coefficient of a target with various concentrations of an absorbing dye. This method is particularly useful to provide accurate absorption coefficient for predicting the outcomes of photothermal interaction for cancer treatment with absorption enhancement.

Rate Coefficient Measurements of the Reaction CH3+O2+CH3O+O

NASA Technical Reports Server (NTRS)

Hwang, S. M.; Ryu, Si-Ok; DeWitt, K. J.; Rabinowitz, M. J.

1999-01-01

Rate coefficients for the reaction CH3 + O2 = CH3O + O were measured behind reflected shock waves in a series of lean CH4-O2-Ar mixtures using hydroxyl and methyl radical diagnostics. The rate coefficients are well represented by an Arrhenius expression given as k = (1.60(sup +0.67, -0.47)) X 10(exp 13) exp(- 15813 +/- 587 K/T)cc/mol s. This expression, which is valid in the temperature range 1575-1822 K, supports the downward trend in the rate coefficients that has been reported in recent determinations. All measurements to date, including the present study, have been to some extent affected by secondary reactions. The complications due to secondary reactions, choice of thermochemical data, and shock-boundary layer interactions that affect the determination of the rate coefficients are examined.

Non-destructive testing method for determining the solvent diffusion coefficient in the porous materials products

NASA Astrophysics Data System (ADS)

Belyaev, V. P.; Mishchenko, S. V.; Belyaev, P. S.

2018-01-01

Ensuring non-destructive testing of products in industry is an urgent task. Most of the modern methods for determining the diffusion coefficient in porous materials have been developed for bodies of a given configuration and size. This leads to the need for finished products destruction to make experimental samples from them. The purpose of this study is the development of a dynamic method that allows operatively determine the diffusion coefficient in finished products from porous materials without destroying them. The method is designed to investigate the solvents diffusion coefficient in building constructions from materials having a porous structure: brick, concrete and aerated concrete, gypsum, cement, gypsum or silicate solutions, gas silicate blocks, heat insulators, etc. A mathematical model of the method is constructed. The influence of the design and measuring device operating parameters on the method accuracy is studied. The application results of the developed method for structural porous products are presented.

Determination of lateral-stability derivatives and transfer-function coefficients from frequency-response data for lateral motions

NASA Technical Reports Server (NTRS)

Donegan, James J; Robinson, Samuel W , Jr; Gates, Ordway, B , jr

1955-01-01

A method is presented for determining the lateral-stability derivatives, transfer-function coefficients, and the modes for lateral motion from frequency-response data for a rigid aircraft. The method is based on the application of the vector technique to the equations of lateral motion, so that the three equations of lateral motion can be separated into six equations. The method of least squares is then applied to the data for each of these equations to yield the coefficients of the equations of lateral motion from which the lateral-stability derivatives and lateral transfer-function coefficients are computed. Two numerical examples are given to demonstrate the use of the method.

Determination of optical coefficients of biological tissue from a single integrating-sphere

NASA Astrophysics Data System (ADS)

Zhang, Lianshun; Shi, Aijuan; Lu, Hongguang

2012-01-01

The detection of interactions between light and tissue can be used to characterize the optical properties of the tissue. The development is described of a method that determines optical coefficients of biological tissue from a single optical reflectance spectrum measured with an integrating-sphere. The experimental system incorporated a DH-2000 deuterium tungsten halogen light source, a USB4000-VIS-NIR miniature fiber optic spectrometer and an integrating-sphere. Fat emulsion and ink were used to mimic the scattering and absorbing properties of tissue in the tested sample. The measured optical reflectance spectrums with different scattering and absorbing properties were used to train a back-propagation neural network (BPNN). Then the neural network (BPNN) was used to determine the optical coefficients of biological tissue from a single optical reflectance spectrum measured with an integrating-sphere. Tests on tissue-simulation phantoms showed the relative errors of this technique to be 7% for the reduced scattering coefficient and 15% for the absorption coefficients. The optical properties of human skin were also measured in vivo.

Phase-resolved reflectance spectroscopy on layered turbid media

NASA Astrophysics Data System (ADS)

Hielscher, Andreas H.; Liu, Hanli; Chance, Britton; Tittel, Frank K.; Jacques, Steven L.

1995-05-01

In this study, we investigate the influence of layered tissue structures on the phase-resolved reflectance. As a particular example, we consider the affect of the skin, skull, and meninges on noninvasive blood oxygenation determination of the brain. In this case, it's important to know how accurate one can measure the absorption coefficient of the brain through the enclosing layers of different tissues. Experiments were performed on layered gelatin tissue phantoms and the results compared to diffusion theory. It is shown that when a high absorbing medium is placed on top of a low absorbing medium, the absorption coefficient of the lower layer is accessible. In the inverse case, where a low absorbing medium is placed on top of a high absorbing medium, the absorption coefficient of the underlying medium can only be determined if the differences in the absorption coefficient are small, or the top layer is very thin. Investigations on almost absorption and scattering free layers, like the cerebral fluid filled arachnoid, reveal that the determination of the absorption coefficient is barely affected by these kinds of structures.

High accuracy experimental determination of copper and zinc mass attenuation coefficients in the 100 eV to 30 keV photon energy range

NASA Astrophysics Data System (ADS)

Ménesguen, Y.; Gerlach, M.; Pollakowski, B.; Unterumsberger, R.; Haschke, M.; Beckhoff, B.; Lépy, M.-C.

2016-02-01

The knowledge of atomic fundamental parameters such as mass attenuation coefficients with low uncertainties, is of decisive importance in elemental quantification using x-ray fluorescence analysis techniques. Several databases are accessible and frequently used within a large community of users. These compilations are most often in good agreement for photon energies in the hard x-ray ranges. However, they significantly differ for low photon energies and around the absorption edges of any element. In a joint cooperation of the metrology institutes of France and Germany, mass attenuation coefficients of copper and zinc were determined experimentally in the photon energy range from 100 eV to 30 keV by independent approaches using monochromatized synchrotron radiation at SOLEIL (France) and BESSY II (Germany), respectively. The application of high-accuracy experimental techniques resulted in mass attenuation coefficient datasets determined with low uncertainties that are directly compared to existing databases. The novel datasets are expected to enhance the reliability of mass attenuation coefficients.

Genetic diversity of popcorn genotypes using molecular analysis.

PubMed

Resh, F S; Scapim, C A; Mangolin, C A; Machado, M F P S; do Amaral, A T; Ramos, H C C; Vivas, M

2015-08-19

In this study, we analyzed dominant molecular markers to estimate the genetic divergence of 26 popcorn genotypes and evaluate whether using various dissimilarity coefficients with these dominant markers influences the results of cluster analysis. Fifteen random amplification of polymorphic DNA primers produced 157 amplified fragments, of which 65 were monomorphic and 92 were polymorphic. To calculate the genetic distances among the 26 genotypes, the complements of the Jaccard, Dice, and Rogers and Tanimoto similarity coefficients were used. A matrix of Dij values (dissimilarity matrix) was constructed, from which the genetic distances among genotypes were represented in a more simplified manner as a dendrogram generated using the unweighted pair-group method with arithmetic average. Clusters determined by molecular analysis generally did not group material from the same parental origin together. The largest genetic distance was between varieties 17 (UNB-2) and 18 (PA-091). In the identification of genotypes with the smallest genetic distance, the 3 coefficients showed no agreement. The 3 dissimilarity coefficients showed no major differences among their grouping patterns because agreement in determining the genotypes with large, medium, and small genetic distances was high. The largest genetic distances were observed for the Rogers and Tanimoto dissimilarity coefficient (0.74), followed by the Jaccard coefficient (0.65) and the Dice coefficient (0.48). The 3 coefficients showed similar estimations for the cophenetic correlation coefficient. Correlations among the matrices generated using the 3 coefficients were positive and had high magnitudes, reflecting strong agreement among the results obtained using the 3 evaluated dissimilarity coefficients.

Diffusion and solubility coefficients determined by permeation and immersion experiments for organic solvents in HDPE geomembrane.

PubMed

Chao, Keh-Ping; Wang, Ping; Wang, Ya-Ting

2007-04-02

The chemical resistance of eight organic solvents in high density polyethylene (HDPE) geomembrane has been investigated using the ASTM F739 permeation method and the immersion test at different temperatures. The diffusion of the experimental organic solvents in HDPE geomembrane was non-Fickian kinetic, and the solubility coefficients can be consistent with the solubility parameter theory. The diffusion coefficients and solubility coefficients determined by the ASTM F739 method were significantly correlated to the immersion tests (p<0.001). The steady state permeation rates also showed a good agreement between ASTM F739 and immersion experiments (r(2)=0.973, p<0.001). Using a one-dimensional diffusion equation based on Fick's second law, the diffusion and solubility coefficients obtained by immersion test resulted in over estimates of the ASTM F739 permeation results. The modeling results indicated that the diffusion and solubility coefficients should be obtained using ASTM F739 method which closely simulates the practical application of HDPE as barriers in the field.

Determination of the Accomodation Coefficient Using Vapor/Gas Bubble Dynamics in an Acoustic Field

NASA Technical Reports Server (NTRS)

Gumerov, Nail A.

1999-01-01

Non-equilibrium liquid/vapor phase transformations can occur in superheated or subcooled liquids in fast processes such as in evaporation in a vacuum, in processing of molten metals, and in vapor explosions. The rate at which such a phase transformation occurs, Xi, can be described by the Hertz-Knudsen-Langmuir formula. More than one century of the history of the accommodation coefficient measurements shows many problems with its determination. This coefficient depends on the temperature, is sensitive to the conditions at the interface, and is influenced by small amounts of impurities. Even recent measurements of the accommodation coefficient for water (Hagen et al, 1989) showed a huge variation in Beta from 1 for 1 micron droplets to 0.006 for 15 micron droplets. Moreover, existing measurement techniques for the accommodation coefficient are complex and expensive. Thus development of a relatively inexpensive and reliable technique for measurement of the accommodation coefficient for a wide range of substances and temperatures is of great practical importance.

Dissociation coefficients of protein adsorption to nanoparticles as quantitative metrics for description of the protein corona: A comparison of experimental techniques and methodological relevance.

PubMed

Hühn, Jonas; Fedeli, Chiara; Zhang, Qian; Masood, Atif; Del Pino, Pablo; Khashab, Niveen M; Papini, Emanuele; Parak, Wolfgang J

2016-06-01

Protein adsorption to nanoparticles is described as a chemical reaction in which proteins attach to binding sites on the nanoparticle surface. This process is defined by a dissociation coefficient, which tells how many proteins are adsorbed per nanoparticle in dependence of the protein concentration. Different techniques to experimentally determine dissociation coefficients of protein adsorption to nanoparticles are reviewed. Results of more than 130 experiments in which dissociation coefficients have been determined are compared. Data show that different methods, nanoparticle systems, and proteins can lead to significantly different dissociation coefficients. However, we observed a clear tendency of smaller dissociation coefficients upon less negative towards more positive zeta potentials of the nanoparticles. The zeta potential thus is a key parameter influencing protein adsorption to the surface of nanoparticles. Our analysis highlights the importance of the characterization of the parameters governing protein-nanoparticle interaction for quantitative evaluation and objective literature comparison. Copyright © 2015 Elsevier Ltd. All rights reserved.

Improved atmospheric density estimation for ANDE-2 satellites using drag coefficients obtained from gas-surface interaction equations

NASA Astrophysics Data System (ADS)

Flanagan, Harold Patrick

A major issue in the process of predicting the future position of satellites in low earth orbit (LEO) is that the drag coefficient of a satellite is generally not precisely known throughout the satellite's lifespan. One reason for this problem is that as a satellite travels through the Earth's thermosphere, variations in the composition of the thermosphere directly affect the drag coefficient of the satellite. The greatest amount of uncertainty in the drag coefficient from these variations in the thermosphere comes from the amount of atomic oxygen that covers the satellites surface as the satellite descends to lower altitudes. This percent surface coverage of atomic oxygen directly affects the interaction between the surface of the satellite and the gas through which it is passing. The work performed in this thesis determines the drag coefficients of the ANDE-2 satellites over their life spans by using satellite laser ranging (SLR) data of the ANDE-2 satellites in unison with gas-surface interaction equations. The fractional coverage of atomic oxygen is determined by using empirically determined data and semi-empirical models that attempt to predict the fractional coverage of oxygen relative to the composition of the atmosphere. These drag coefficients are then used to determine the atmospheric densities experienced by these satellites over various days, so that inaccuracies in the atmospheric models can be observed. The drag coefficients of the ANDE-2 satellites decrease throughout the satellites' life, and vary most due to changes in the temperature and density of the atmosphere. The greatest uncertainty in the atmosphere's composition occurs at lower altitudes at the end of ANDE-2's life.

Experimental determination of heat transfer coefficients in roll bite and air cooling for computer simulations of 1100 MPa carbon steel rolling

NASA Astrophysics Data System (ADS)

Leinonen, Olli; Ilmola, Joonas; Seppälä, Oskari; Pohjonen, Aarne; Paavola, Jussi; Koskenniska, Sami; Larkiola, Jari

2018-05-01

In modeling of hot rolling pass schedules the heat transfer phenomena have to be known. Radiation to ambient, between rolls and a steel slab as well as heat transfer in contacts must be considered to achieve accurate temperature distribution and thereby accurate material behavior in simulations. Additional heat is generated by friction between the slab and the work roll and by plastic deformation. These phenomena must be taken into account when the effective heat transfer coefficient is determined from experimental data. In this paper we determine the effective heat transfer coefficient at the contact interface and emissivity factor of slab surface for 1100MPa strength carbon steel for hot rolling simulations. Experimental pilot rolling test were carried out and slab temperatures gathered right below the interface and at the mid thickness of the slab. Emissivity factor tests were carried out in the same manner but without rolling. Experimental data is utilized to derive contact heat transfer coefficient at the interface and emissivity factor of slab surface. Pilot rolling test is reproduced in FE-analysis to further refine the heat transfer coefficient and emissivity factor. Material mechanical properties at rolling temperatures were determined by Gleeble™ thermo-mechanical simulator and IDS thermodynamic-kinetic-empirical software.

Equations of prediction for abdominal fat in brown egg-laying hens fed different diets.

PubMed

Souza, C; Jaimes, J J B; Gewehr, C E

2017-06-01

The objective was to use noninvasive measurements to formulate equations for predicting the abdominal fat weight of laying hens in a noninvasive manner. Hens were fed with different diets; the external body measurements of birds were used as regressors. We used 288 Hy-Line Brown laying hens, distributed in a completely randomized design in a factorial arrangement, submitted for 16 wk to 2 metabolizable energy levels (2,550 and 2,800 kcal/kg) and 3 levels of crude protein in the diet (150, 160, and 170 g/kg), totaling 6 treatments, with 48 hens each. Sixteen hens per treatment of 92 wk age were utilized to evaluate body weight, bird length, tarsus and sternum, greater and lesser diameter of the tarsus, and abdominal fat weight, after slaughter. The equations were obtained by using measures evaluated with regressors through simple and multiple linear regression with the stepwise method of indirect elimination (backward), with P < 0.10 for all variables remaining in the model. The weight of abdominal fat as predicted by the equations and observed values for each bird were subjected to Pearson's correlation analysis. The equations generated by energy levels showed coefficients of determination of 0.50 and 0.74 for 2,800 and 2,550 kcal/kg of metabolizable energy, respectively, with correlation coefficients of 0.71 and 0.84, with a highly significant correlation between the calculated and observed values of abdominal fat. For protein levels of 150, 160, and 170 g/kg in the diet, it was possible to obtain coefficients of determination of 0.75, 0.57, and 0.61, with correlation coefficients of 0.86, 0.75, and 0.78, respectively. Regarding the general equation for predicting abdominal fat weight, the coefficient of determination was 0.62; the correlation coefficient was 0.79. The equations for predicting abdominal fat weight in laying hens, based on external measurements of the birds, showed positive coefficients of determination and correlation coefficients, thus allowing researchers to determine abdominal fat weight in vivo. © 2016 Poultry Science Association Inc.

Quantitative Ultrasound Imaging Using Acoustic Backscatter Coefficients.

NASA Astrophysics Data System (ADS)

Boote, Evan Jeffery

Current clinical ultrasound scanners render images which have brightness levels related to the degree of backscattered energy from the tissue being imaged. These images offer the interpreter a qualitative impression of the scattering characteristics of the tissue being examined, but due to the complex factors which affect the amplitude and character of the echoed acoustic energy, it is difficult to make quantitative assessments of scattering nature of the tissue, and thus, difficult to make precise diagnosis when subtle disease effects are present. In this dissertation, a method of data reduction for determining acoustic backscatter coefficients is adapted for use in forming quantitative ultrasound images of this parameter. In these images, the brightness level of an individual pixel corresponds to the backscatter coefficient determined for the spatial position represented by that pixel. The data reduction method utilized rigorously accounts for extraneous factors which affect the scattered echo waveform and has been demonstrated to accurately determine backscatter coefficients under a wide range of conditions. The algorithms and procedures used to form backscatter coefficient images are described. These were tested using tissue-mimicking phantoms which have regions of varying scattering levels. Another phantom has a fat-mimicking layer for testing these techniques under more clinically relevant conditions. Backscatter coefficient images were also formed of in vitro human liver tissue. A clinical ultrasound scanner has been adapted for use as a backscatter coefficient imaging platform. The digital interface between the scanner and the computer used for data reduction are described. Initial tests, using phantoms are presented. A study of backscatter coefficient imaging of in vivo liver was performed using several normal, healthy human subjects.

Measurement of the ferric diffusion coefficient in agarose and gelatine gels by utilization of the evolution of a radiation induced edge as reflected in relaxation rate images.

PubMed

Pedersen, T V; Olsen, D R; Skretting, A

1997-08-01

A method has been developed to determine the diffusion coefficients of ferric ions in ferrous sulphate doped gels. A radiation induced edge was created in the gel, and two spin-echo sequences were used to acquire a pair of images of the gel at different points of time. For each of these image pairs, a longitudinal relaxation rate image was derived. From profiles through these images, the standard deviations of the Gaussian functions that characterize diffusion were determined. These data provided the basis for the determination of the ferric diffusion coefficients by two different methods. Simulations indicate that the use of single spin-echo images in this procedure may in some cases lead to a significant underestimation of the diffusion coefficient. The technique was applied to different agarose and gelatine gels that were prepared, irradiated and imaged simultaneously. The results indicate that the diffusion coefficient is lower in a gelatine gel than in an agarose gel. Addition of xylenol orange to a gelatine gel lowers the diffusion coefficient from 1.45 to 0.81 mm2 h-1, at the cost of significantly lower Rl sensitivity. The addition of benzoic acid to the latter gel did not increase the Rl sensitivity.

Lunar gravity derived from long-period satellite motion, a proposed method

NASA Technical Reports Server (NTRS)

Ferrari, A. J.

1971-01-01

A method was devised to determine the spherical harmonic coefficients of the lunar gravity field. The method consists of a two-step data reduction and estimation process. Pseudo-Doppler data were generated simulating two different lunar orbits. The analysis included the perturbing effects of the L1 lunar gravity field, the earth, the sun, and solar radiation pressure. Orbit determinations were performed on these data and long-period orbital elements were obtained. The Kepler element rates from these solutions were used to recover L1 lunar gravity coefficients. Overall results of the experiment show that lunar gravity coefficients can be accurately determined and that the method is dynamically consistent with long-period perturbation theory.

The dissociative recombination of O2/+/ in the ionosphere

NASA Technical Reports Server (NTRS)

Torr, M. R.; Torr, D. G.

1981-01-01

Aeronomical determinations of the dissociative recombination reaction rate coefficient for O2(+) and alpha depend directly on a knowledge of the rate coefficient for the charge exchange of O(+) with O2 and k. The aeronomical determination of alpha is reevaluated using Atmosphere Explorer satellite data in light of a subsequent laboratory measurement of k (Chen et al., 1978). The results are found to be in good agreement with laboratory determinations of the coefficient for night-time conditions. For data obtained under sunlit conditions, however, the results differed significantly with those of the laboratory measurements. These results imply that the state of the O2(+) molecule major thermospheric processes needs to be examined in greater detail.

LASERS IN MEDICINE: Determination of the optical characteristics of turbid media by the laser optoacoustic method

NASA Astrophysics Data System (ADS)

Karabutov, Aleksander A.; Pelivanov, Ivan M.; Podymova, N. B.; Skipetrov, S. E.

1999-12-01

A method, based on the optoacoustic effect for determination of the spatial distribution of the light intensity in turbid media and of the optical characteristics of such media was proposed (and implemented experimentally). A temporal profile of the pressure of a thermo-optically excited acoustic pulse was found to be governed by the absorption coefficient and by the spatial distribution of the light intensity in the investigated medium. The absorption coefficient and the reduced light-scattering coefficient of model turbid water-like media were measured by the optoacoustic method. The results of a direct determination of the spatial light-intensity distribution agreed with a theoretical calculation made in the diffusion approximation.

Determination of extinction coefficients of human hemoglobin in various redox states

PubMed Central

Meng, Fantao; Alayash, Abdu I.

2017-01-01

The role of hemoglobin (Hb) redox forms in tissue and organ toxicities remain ambiguous despite the well-documented contribution of Hb redox reactivity to cellular and subcellular oxidative changes. Moreover, several recent studies, in which Hb toxicity were investigated, have shown conflicting outcomes. Uncertainties over the potential role of these species may in part be due to the protein preparation method of choice, the use of published extinction coefficients and the lack of suitable controls for Hb oxidation and heme loss. Highly purified and well characterized redox forms of human Hb were used in this study and the extinction coefficients of each Hb species (ferrous/oxy, ferric/met and ferryl) were determined. A new set of equations were established to improve accuracy in determining the transient ferryl Hb species. Additionally, heme concentrations in solutions and in human plasma were determined using a novel reversed phase HPLC method in conjugation with our photometric measurements. The use of more accurate redox-specific extinction coefficients and method calculations will be an invaluable tool for both in vitro and in vivo experiments aimed at determining the role of Hb-mediated vascular pathology in hemolytic anemias and when Hb is used as oxygen therapeutics. PMID:28069451

Determination of the diffusion coefficient and solubility of radon in plastics.

PubMed

Pressyanov, D; Georgiev, S; Dimitrova, I; Mitev, K; Boshkova, T

2011-05-01

This paper describes a method for determination of the diffusion coefficient and the solubility of radon in plastics. The method is based on the absorption and desorption of radon in plastics. Firstly, plastic specimens are exposed for controlled time to referent (222)Rn concentrations. After exposure, the activity of the specimens is followed by HPGe gamma spectrometry. Using the mathematical algorithm described in this report and the decrease of activity as a function of time, the diffusion coefficient can be determined. In addition, if the referent (222)Rn concentration during the exposure is known, the solubility of radon can be determined. The algorithm has been experimentally applied for different plastics. The results show that this approach allows the specified quantities to be determined with a rather high accuracy-depending on the quality of the counting equipment, it can be better than 10 %.

Comparative evaluation of methods for the determination of heat transfer coefficients of liquid and gaseous quenching media

NASA Astrophysics Data System (ADS)

Shevchenko, Svetlana Yu.; Melnik, Yury A.; Smirnov, Andrey E.; Htet, Wai Yan Min

2018-03-01

Temperature dependences of heat transfer coefficients of liquid and gaseous quenching media were determined using a gradient probe and prismatic probe of more simple design. The probes of two different designs were tested in the same conditions. Analysis of heat transfer coefficients showed good agreement between the data obtained. The tests were carried out with liquid and gaseous quenching media: water, polymer quenchant, quenching oil and high-pressure nitrogen. Methods of mathematical modeling of steel samples quenching show the adequacy of the results.

Determination of the Mass Absorption Coefficient in Two-Layer Ti/V and V/Ti Thin Film Systems by the X-Ray Fluorescence Method

NASA Astrophysics Data System (ADS)

Mashin, N. I.; Chernyaeva, E. A.; Tumanova, A. N.; Gafarova, L. M.

2016-03-01

A new XRF procedure for the determination of the mass absorption coefficient in thin film Ti/V and V/Ti two-layer systems has been proposed. The procedure uses easy-to-make thin-film layers of sputtered titanium and vanadium on a polymer film substrate. Correction coefficients have been calculated that take into account attenuation of primary radiation of the X-ray tube, as well as attenuation of the spectral line of the bottom layer element in the top layer.

Biological control of trace metal and organometal benthic fluxes in a eutrophic lagoon (Thau Lagoon, Mediterranean Sea, France)

NASA Astrophysics Data System (ADS)

Point, D.; Monperrus, M.; Tessier, E.; Amouroux, D.; Chauvaud, L.; Thouzeau, G.; Jean, F.; Amice, E.; Grall, J.; Leynaert, A.; Clavier, J.; Donard, O. F. X.

2007-04-01

In situ benthic chamber experiments were conducted in the Thau Lagoon that allowed the simultaneous determination of the benthic exchanges of trace metals (Cd, Co, Cu, Mn, Pb and U) and mercury species (iHg and MMHg). Fluxes of organotin compounds (MBT, DBT and TBT) were also investigated for the first time. The benthic incubations were performed during two campaigns at four stations that presented different macrobenthic and macrophytic species distribution and abundance (see [Thouzeau, G., Grall, J., Clavier, J., Chauvaud, L., Jean, F., Leynaert, A., Longpuirt, S., Amice, E., Amouroux, D., 2007. Spatial and temporal variability of benthic biogeochemical fluxes associated with macrophytic and macrofaunal distributions in the Thau lagoon (France). Estuarine, Coastal and Shelf Science 72 (3), 432 446.]). The results indicate that most of the flux intensity as well as the temporal and spatial variability can be explained by the combined influence of microscale and macroscale processes. Microscale changes were identified using Mn flux as a good indicator of the redox conditions at the sediment water interface, and by extension, as an accurate proxy of benthic fluxes for most trace metals and mercury species. We also observed that the redox gradient at the interface is promoted by both microbial and macrobenthic species activity that governs O2 budgets. Macroscale processes have been investigated considering macrobenthic organisms activity (macrofauna and macroalgal cover). The density of such macroorganisms is able to explain most of the spatial and temporal variability of the benthic metal fluxes within a specific site. A tentative estimation of the flux of metals and organometals associated with deposit feeder and suspension feeder activity was found to be in the range of the flux determined within the chambers for most considered elements. Furthermore, a light/dark incubation investigating a dense macroalgal cover present at the sediment surface illustrates the role of photosynthetic activity in controlling benthic exchanges. Significant changes in benthic flux intensity and/or direction were reported for all redox sensitive elements (Cd, Co, Cu, Mn, Pb, U, and iHg). For MMHg and organotin species, other complimentary processes such as photodegradation/uptake and hydrophobic absorption/desorption need to be considered. This work demonstrates that the processes governing benthic exchanges are complex and that benthic organisms play a major role in the significant seasonal, diurnal and spatial variability of trace metals and organometals benthic fluxes in the lagoon.

Constant-head pumping test of a multiaquifer well to determine characteristics of individual aquifers

USGS Publications Warehouse

Bennett, Gordon D.; Patten, E.P.

1962-01-01

This report describes the theory and field procedures for determining the transmissibility and storage coefficients and the original hydrostatic head of each aquifer penetrated by a multiaquifer well. The procedure involves pumping the well in such a manner that the drawdown of water level is constant while the discharges of the different aquifers are measured by means of borehole flowmeters. The theory is developed by analogy to the heat-flow problem solved by Smith. The internal discharge between aquifers after the well is completed is analyzed as the first step. Pumping at constant, drawdown constitutes the second step. Transmissibility and storage coefficients are determined by a method described by Jacob and Lohman, after the original internal discharge to or from the aquifer has been compensated for in the calculations. The original hydrostatic head of each aquifer is then determined by resubstituting the transmissibility and storage coefficients into the first step of the analysis. The method was tested on a well in Chester County, Pa., but the results were not entirely satisfactory, owing to the lack of sufficiently accurate methods of flow measurement and, probably, to the effects of entrance losses in the well. The determinations of the transmissibility coefficient and static head can be accepted as having order-of-magnitude significance, but the determinations of the storage coefficient, which is highly sensitive to experimental error, must be rejected. It is felt that better results may be achieved in the future, as more reliable devices for metering the flow become available and as more is learned concerning the nature of entrance losses. If accurate data can be obtained, recently developed techniques of digital or analog computation may permit determination of the response of each aquifer in the well to any form of pumping.

Determination of the electron-capture coefficients and the concentration of free electrons in GaN from time-resolved photoluminescence

PubMed Central

Reshchikov, M. A.; McNamara, J. D.; Toporkov, M.; Avrutin, V.; Morkoç, H.; Usikov, A.; Helava, H.; Makarov, Yu.

2016-01-01

Point defects in high-purity GaN layers grown by hydride vapor phase epitaxy are studied by steady-state and time-resolved photoluminescence (PL). The electron-capture coefficients for defects responsible for the dominant defect-related PL bands in this material are found. The capture coefficients for all the defects, except for the green luminescence (GL1) band, are independent of temperature. The electron-capture coefficient for the GL1 band significantly changes with temperature because the GL1 band is caused by an internal transition in the related defect, involving an excited state acting as a giant trap for electrons. By using the determined electron-capture coefficients, the concentration of free electrons can be found at different temperatures by a contactless method. A new classification system is suggested for defect-related PL bands in undoped GaN. PMID:27901025

Activity coefficients from molecular simulations using the OPAS method

NASA Astrophysics Data System (ADS)

Kohns, Maximilian; Horsch, Martin; Hasse, Hans

2017-10-01

A method for determining activity coefficients by molecular dynamics simulations is presented. It is an extension of the OPAS (osmotic pressure for the activity of the solvent) method in previous work for studying the solvent activity in electrolyte solutions. That method is extended here to study activities of all components in mixtures of molecular species. As an example, activity coefficients in liquid mixtures of water and methanol are calculated for 298.15 K and 323.15 K at 1 bar using molecular models from the literature. These dense and strongly interacting mixtures pose a significant challenge to existing methods for determining activity coefficients by molecular simulation. It is shown that the new method yields accurate results for the activity coefficients which are in agreement with results obtained with a thermodynamic integration technique. As the partial molar volumes are needed in the proposed method, the molar excess volume of the system water + methanol is also investigated.

An economic prediction of the finer resolution level wavelet coefficients in electronic structure calculations.

PubMed

Nagy, Szilvia; Pipek, János

2015-12-21

In wavelet based electronic structure calculations, introducing a new, finer resolution level is usually an expensive task, this is why often a two-level approximation is used with very fine starting resolution level. This process results in large matrices to calculate with and a large number of coefficients to be stored. In our previous work we have developed an adaptively refined solution scheme that determines the indices, where the refined basis functions are to be included, and later a method for predicting the next, finer resolution coefficients in a very economic way. In the present contribution, we would like to determine whether the method can be applied for predicting not only the first, but also the other, higher resolution level coefficients. Also the energy expectation values of the predicted wave functions are studied, as well as the scaling behaviour of the coefficients in the fine resolution limit.

Rate Coefficient Measurements of the Reaction CH3 + O2 = CH3O + O

NASA Technical Reports Server (NTRS)

Hwang, S. M.; Ryu, Si-Ok; DeWitt, K. J.; Rabinowitz, M. J.

1999-01-01

Rate coefficients for the reaction CH3 + O2 = CH3O + O were measured behind reflected shock waves in a series of lean CH4-O2-Ar mixtures using hydroxyl and methyl radical diagnostics. The rate coefficients are well represented by an Arrhenius expression given as k = (1.60(sup +0.67, sub -0.47 ) x 10(exp 13) e(-15813 +/- 587 K/T)/cubic cm.mol.s. This expression, which is valid in the temperature range 1575-1822 K, supports the downward trend in the rate coefficients that has been reported in recent determinations. All measurements to date, including the present study, have been to some extent affected by secondary reactions. The complications due to secondary reactions, choice of thermochemical data, and shock-boundary layer interactions that affect the determination of the rate coefficients are examined.

Determination of the Drag Resistance Coefficients of Different Vehicles

ERIC Educational Resources Information Center

Fahsl, Christoph; Vogt, Patrik

2018-01-01

While it has been demonstrated how air resistance could be analyzed by using mobile devices, this paper demonstrates a method of how to determine the drag resistance coefficient "c" of a commercial automobile by using the acceleration sensor of a smartphone or tablet. In an academic context, the drag resistance is often mentioned, but…

Determination of pollutant diffusion coefficients in naturally formed biofilms using a single tube extractive membrane bioreactor

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

Zhang, S.F.; Splendiani, A.; Freitas dos Santos, L.M.

A novel technique has been used to determine the effective diffusion coefficients for 1,1,2-trichloroethane (TCE), a nonreacting tracer, in biofilms growing on the external surface of a silicone rubber membrane tube during degradation of 1,2-dichloroethane (DCE) by Xanthobacter autotrophicus GJ10 and monochlorobenzene (MCB) by Pseudomonas JS150. Experiments were carried out in a single tube extractive membrane bioreactor (STEMB), whose configuration makes it possible to measure the transmembrane flux of substrates. A video imaging technique (VIT) was employed for in situ biofilm thickness measurement and recording. Diffusion coefficients of TCE in the biofilms and TCE mass transfer coefficients in the liquidmore » films adjacent to the biofilms were determined simultaneously using a resistances-in-series diffusion model. It was found that the flux and overall mass transfer coefficient of TCE decrease with increasing biofilm thickness, showing the importance of biofilm diffusion on the mass transfer process. Similar fluxes were observed for the nonreacting tracer (TCE) and the reactive substrates (MCB or DCE), suggesting that membrane-attached biofilm systems can be rate controlled primarily by substrate diffusion. The TCE diffusion coefficient in the JS150 biofilm appeared to be dependent on biofilm thickness, decreasing markedly for biofilm thicknesses of >1 mm. The values of the TCE diffusion coefficients in the JS150 biofilms <1-mm thick are approximately twice those in water and fall to around 30% of the water value for biofilms >1-mm thick.« less

Thermal requirements of Dermanyssus gallinae (De Geer, 1778) (Acari: Dermanyssidae).

PubMed

Tucci, Edna Clara; do Prado, Angelo P; de Araújo, Raquel Pires

2008-01-01

The thermal requirements for development of Dermanyssus gallinae were studied under laboratory conditions at 15, 20, 25, 30 and 35 degrees C, a 12h photoperiod and 60-85% RH. The thermal requirements for D. gallinae were as follows. Preoviposition: base temperature 3.4 degrees C, thermal constant (k) 562.85 degree-hours, determination coefficient (R(2)) 0.59, regression equation: Y= -0.006035 + 0.001777x. Egg: base temperature 10.60 degrees C, thermal constant (k) 689.65 degree-hours, determination coefficient (R(2)) 0.94, regression equation: Y= -0.015367 + 0.001450x. Larva: base temperature 9.82 degrees C, thermal constant (k) 464.91 degree-hours, determination coefficient (R(2)) 0.87, regression equation: Y= -0.021123 + 0.002151x. Protonymph: base temperature 10.17 degrees C, thermal constant (k) 504.49 degree-hours, determination coefficient (R(2)) 0.90, regression equation: Y= -0.020152 + 0.001982x. Deutonymph: base temperature 11.80 degrees C, thermal constant (k) 501.11 degree-hours, determination coefficient (R(2)) 0.99, regression equation: Y= -0.023555 + 0.001996x. The results obtained showed that 15 to 42 generations of Dermanyssus gallinae may occur during the year in the State of São Paulo, as estimated based on isotherm charts. Dermanyssus gallinae may develop continually in the State of São Paulo, with a population decrease in the winter. There were differences between the developmental stages of D. gallinae in relation to thermal requirements.

Fluxgate magnetometer offset vector determination by the 3D mirror mode method

NASA Astrophysics Data System (ADS)

Plaschke, F.; Goetz, C.; Volwerk, M.; Richter, I.; Frühauff, D.; Narita, Y.; Glassmeier, K.-H.; Dougherty, M. K.

2017-07-01

Fluxgate magnetometers on-board spacecraft need to be regularly calibrated in flight. In low fields, the most important calibration parameters are the three offset vector components, which represent the magnetometer measurements in vanishing ambient magnetic fields. In case of three-axis stabilized spacecraft, a few methods exist to determine offsets: (I) by analysis of Alfvénic fluctuations present in the pristine interplanetary magnetic field, (II) by rolling the spacecraft around at least two axes, (III) by cross-calibration against measurements from electron drift instruments or absolute magnetometers, and (IV) by taking measurements in regions of well-known magnetic fields, e.g. cometary diamagnetic cavities. In this paper, we introduce a fifth option, the 3-dimensional (3D) mirror mode method, by which 3D offset vectors can be determined using magnetic field measurements of highly compressional waves, e.g. mirror modes in the Earth's magnetosheath. We test the method by applying it to magnetic field data measured by the following: the Time History of Events and Macroscale Interactions during Substorms-C spacecraft in the terrestrial magnetosheath, the Cassini spacecraft in the Jovian magnetosheath and the Rosetta spacecraft in the vicinity of comet 67P/Churyumov-Gerasimenko. The tests reveal that the achievable offset accuracies depend on the ambient magnetic field strength (lower strength meaning higher accuracy), on the length of the underlying data interval (more data meaning higher accuracy) and on the stability of the offset that is to be determined.

Meso-Scale Experimental & Numerical Studies for Predicting Macro-scale Performance of Advanced Reactive Materials (ARMs)

DTIC Science & Technology

2015-04-01

of impact-initiated reactions in Ti-Al-B based reactive materials in the form of compacts of powders of different sizes and morphologies . The major...More specifically, the influence of material-inherent elastic/plastic properties and reactant configuration (e.g., porosity, morphology , spacing...materials in the form of compacts of powders of different sizes and morphologies . The major goal is to delineate how processes of localized deformation and

Water balance model for Kings Creek

NASA Technical Reports Server (NTRS)

Wood, Eric F.

1990-01-01

Particular attention is given to the spatial variability that affects the representation of water balance at the catchment scale in the context of macroscale water-balance modeling. Remotely sensed data are employed for parameterization, and the resulting model is developed so that subgrid spatial variability is preserved and therefore influences the grid-scale fluxes of the model. The model permits the quantitative evaluation of the surface-atmospheric interactions related to the large-scale hydrologic water balance.

Multi-scale heat and mass transfer modelling of cell and tissue cryopreservation

PubMed Central

Xu, Feng; Moon, Sangjun; Zhang, Xiaohui; Shao, Lei; Song, Young Seok; Demirci, Utkan

2010-01-01

Cells and tissues undergo complex physical processes during cryopreservation. Understanding the underlying physical phenomena is critical to improve current cryopreservation methods and to develop new techniques. Here, we describe multi-scale approaches for modelling cell and tissue cryopreservation including heat transfer at macroscale level, crystallization, cell volume change and mass transport across cell membranes at microscale level. These multi-scale approaches allow us to study cell and tissue cryopreservation. PMID:20047939

Determination of the optical absorption spectra of thin layers from their photoacoustic spectra

NASA Astrophysics Data System (ADS)

Bychto, Leszek; Maliński, Mirosław; Patryn, Aleksy; Tivanov, Mikhail; Gremenok, Valery

2018-05-01

This paper presents a new method for computations of the optical absorption coefficient spectra from the normalized photoacoustic amplitude spectra of thin semiconductor samples deposited on the optically transparent and thermally thick substrates. This method was tested on CuIn(Te0.7Se0.3)2 thin films. From the normalized photoacoustic amplitude spectra, the optical absorption coefficient spectra were computed with the new formula as also with the numerical iterative method. From these spectra, the value of the energy gap of the thin film material and the type of the optical transitions were determined. From the experimental optical transmission spectra, the optical absorption coefficient spectra were computed too, and compared with the optical absorption coefficient spectra obtained from photoacoustic spectra.

New method and installation for rapid determination of radon diffusion coefficient in various materials.

PubMed

Tsapalov, Andrey; Gulabyants, Loren; Livshits, Mihail; Kovler, Konstantin

2014-04-01

The mathematical apparatus and the experimental installation for the rapid determination of radon diffusion coefficient in various materials are developed. The single test lasts not longer than 18 h and allows testing numerous materials, such as gaseous and liquid media, as well as soil, concrete and radon-proof membranes, in which diffusion coefficient of radon may vary in an extremely wide range, from 1·10(-12) to 5·10(-5) m(2)/s. The uncertainty of radon diffusion coefficient estimation depends on the permeability of the sample and varies from about 5% (for the most permeable materials) to 40% (for less permeable materials, such as radon-proof membranes). Copyright © 2014. Published by Elsevier Ltd.

Using Remote Sensing to Determine Timing of High Altitude Grass Hay Growth Stages

NASA Astrophysics Data System (ADS)

Mefford, B.

2015-12-01

Remote sensing has become the standard for collecting data to determine potential irrigation consumptive use in Wyoming for the Green River Basin. The Green River Basin within Wyoming is around 10.8 million acres, located in south western Wyoming and is a sub-basin of the Colorado River Basin. Grass hay is the main crop grown in the basin. The majority of the hay is grown at elevations 7,000 feet above mean sea level. Daily potential irrigation consumptive use is calculated for the basin during the growing season (May 1st to September 30th). To determine potential irrigation consumptive use crop coefficients, reference evapotranspiration (ET) and effective precipitation are required. Currently crop coefficients are the hardest to determine as most research on crop coefficients are based at lower elevations. Values for crop coefficients for grass hay still apply to high altitude grass hay, but the hay grows at a much slower rate than low elevation grass hay. To be able to more accurately determine the timing of the growth stages of hay in this basin, time-lapse cameras were installed at two different irrigated hay fields in the basin for the 2015 growing season and took pictures automatically once a day at 1 P.M.. Both of the fields also contained a permanent research grade weather station. Imagery obtained from these cameras was used as indicators of timing of the major growth stages of the hay and the length of days between the stages. A crop coefficient value was applied every day in the growing season based on the results from the imagery. Daily potential ET was calculated using the crop coefficients and the data from the on-site weather stations. The final result was potential irrigation induced crop consumptive use for each site. Using remote sensing provided necessary information that normally would be applied arbitrarily in determining irrigation induced consumptive use in the Green River Basin.

The Drag Coefficient of Parabolic Bodies of Revolution Operating at Zero Cavitation Number and Zero Angle of Yaw

NASA Technical Reports Server (NTRS)

Johnson, Virgil E., Jr.; Rasnick, Thomas A.

1961-01-01

The form-drag coefficient of parabolic bodies of revolution with fineness ratios greater than 1 operating at zero angle of yaw and zero cavitation number is determined both theoretically and experimentally. Agreement between theory and experiment is very good, The theoretical form-drag coefficient of paraboloids is about half the form-drag coefficient of cones of comparable fineness ratio.

Quartz tuning-fork oscillations in He II and drag coefficient

NASA Astrophysics Data System (ADS)

Gritsenko, I. A.; Zadorozhko, A. A.; Neoneta, A. S.; Chagovets, V. K.; Sheshin, G. A.

2011-07-01

The temperature dependencies of drag coefficient for quartz tuning forks of various geometric dimensions, immersed in the He II, were determined experimentally in the temperature range 0.1-3 K. It is identified, that these dependencies are similar, but the values of drag coefficient are different for tuning forks with different geometric dimensions. It is shown, that the obtained specific drag coefficient depends only on the temperature and frequency of vibrations, when the value of drag coefficient is normalized to the surface area of moving tuning-fork prong. The temperature dependencies of normalized drag coefficient for the tuning forks of various dimensions, wire, and microsphere, oscillating in the Не II, are compared. It is shown, that in the ballistic regime of scattering of quasiparticles, these dependencies are identical and have a slope proportional to T4, which is determined by the density of thermal excitations. In the hydrodynamic regime at T > 0.5 K, the behavior of the temperature dependence of specific drag coefficient is affected by the size and frequency of vibrating body. The empirical relation, which allows to describe the behavior of specific drag coefficient for vibrating tuning forks, microsphere, and wire everywhere over the temperature region and at various frequencies, is proposed.

Random effects coefficient of determination for mixed and meta-analysis models

PubMed Central

Demidenko, Eugene; Sargent, James; Onega, Tracy

2011-01-01

The key feature of a mixed model is the presence of random effects. We have developed a coefficient, called the random effects coefficient of determination, Rr2, that estimates the proportion of the conditional variance of the dependent variable explained by random effects. This coefficient takes values from 0 to 1 and indicates how strong the random effects are. The difference from the earlier suggested fixed effects coefficient of determination is emphasized. If Rr2 is close to 0, there is weak support for random effects in the model because the reduction of the variance of the dependent variable due to random effects is small; consequently, random effects may be ignored and the model simplifies to standard linear regression. The value of Rr2 apart from 0 indicates the evidence of the variance reduction in support of the mixed model. If random effects coefficient of determination is close to 1 the variance of random effects is very large and random effects turn into free fixed effects—the model can be estimated using the dummy variable approach. We derive explicit formulas for Rr2 in three special cases: the random intercept model, the growth curve model, and meta-analysis model. Theoretical results are illustrated with three mixed model examples: (1) travel time to the nearest cancer center for women with breast cancer in the U.S., (2) cumulative time watching alcohol related scenes in movies among young U.S. teens, as a risk factor for early drinking onset, and (3) the classic example of the meta-analysis model for combination of 13 studies on tuberculosis vaccine. PMID:23750070

Dilation Behavior of Thermal Spray Coatings

NASA Astrophysics Data System (ADS)

Bejarano Lopez, Miryan Lorena

Thermal Spray (TS) is a very versatile manufacturing process to deposit thick coatings on a variety of substrates. Coatings are used in protective (i.e. wear, chemical attack, high temperature, etc.) and functional (i.e. sensors) applications. TS coatings have a unique lamellar microstructure as a result of the overlapping of millions of molten and partially-molten particles. During processing, high deformation by impact, high temperature, and rapid solidification lead to a complex hierarchical material system that contains a high amount of microstructural defects. The presence of defects in the microstructure contribute to differences in property values in comparison to bulk materials. Thermal stresses and residual strains arise from processing, thermal gradients and thermal exposure. Evaluation of thermal properties, in this case, the coefficient of thermal expansion (CTE) is of vital importance to enhance coating performance. In this dissertation, expansion measurements of various metals, alloys, ceramics, and cermet coatings; were carried out using various techniques (push rod dilatometry, x-ray diffraction XRD, digital image correlation DIC, and curvature method) to determine the dilation behavior at the atomic, micro- and macro-scale levels. The main results were. 1) Mathematical models (Turner and Kerner) used for composite materials, successfully predicted the CTE property of a TS coating where the primary phase is the coating material and the secondary phases can be oxides, precipitates, etc. (formed as a byproduct of the spraying process). CTE was found not to be affected by porosity. 2) Despite the anisotropic behavior characteristic of TS coatings, the experimental results shown that CTE results to be reasonable isotropic within the scope of this study. 3) The curvature method was found to be an alternative technique to obtain the CTE, as well as the Young's modulus of coating in a bi-material strip, with good approximation. 4) An anomalous expansion behavior during the first heating exposure was exhibited by all coatings. The effect was named here, as "thermal shakedown", and is magnified in metals and alloys. 5) Non-isothermal rapid annealing of defects was correlated to this first irreversible contraction or expansion behavior. Although observed in most thermal spray materials, two material systems, pure Al and Ni-5Al were evaluated in-depth to quantify the mechanisms contributing to this behavior: vacancy formation, dislocation annealing, grain boundaries annihilation, residual stress relief, inelastic mechanical effects, etc. Correct determination of CTE values are important for design to assure integrity and functionality of coatings. Considerations of appropriate measurements are described in this dissertation.

Determination of the Static Friction Coefficient from Circular Motion

ERIC Educational Resources Information Center

Molina-Bolívar, J. A.; Cabrerizo-Vílchez, M. A.

2014-01-01

This paper describes a physics laboratory exercise for determining the coefficient of static friction between two surfaces. The circular motion of a coin placed on the surface of a rotating turntable has been studied. For this purpose, the motion is recorded with a high-speed digital video camera recording at 240 frames s[superscript-1], and the…

Flow injection analysis simulations and diffusion coefficient determination by stochastic and deterministic optimization methods.

PubMed

Kucza, Witold

2013-07-25

Stochastic and deterministic simulations of dispersion in cylindrical channels on the Poiseuille flow have been presented. The random walk (stochastic) and the uniform dispersion (deterministic) models have been used for computations of flow injection analysis responses. These methods coupled with the genetic algorithm and the Levenberg-Marquardt optimization methods, respectively, have been applied for determination of diffusion coefficients. The diffusion coefficients of fluorescein sodium, potassium hexacyanoferrate and potassium dichromate have been determined by means of the presented methods and FIA responses that are available in literature. The best-fit results agree with each other and with experimental data thus validating both presented approaches. Copyright © 2013 The Author. Published by Elsevier B.V. All rights reserved.

Determination of optical band gap of powder-form nanomaterials with improved accuracy

NASA Astrophysics Data System (ADS)

Ahsan, Ragib; Khan, Md. Ziaur Rahman; Basith, Mohammed Abdul

2017-10-01

Accurate determination of a material's optical band gap lies in the precise measurement of its absorption coefficients, either from its absorbance via the Beer-Lambert law or diffuse reflectance spectrum via the Kubelka-Munk function. Absorption coefficients of powder-form nanomaterials calculated from absorbance spectrum do not match those calculated from diffuse reflectance spectrum, implying the inaccuracy of the traditional optical band gap measurement method for such samples. We have modified the Beer-Lambert law and the Kubelka-Munk function with proper approximations for powder-form nanomaterials. Applying the modified method for powder-form nanomaterial samples, both absorbance and diffuse reflectance spectra yield exactly the same absorption coefficients and therefore accurately determine the optical band gap.

Experimentally determined soil organic matter-water sorption coefficients for different classes of natural toxins and comparison with estimated numbers.

PubMed

Schenzel, Judith; Goss, Kai-Uwe; Schwarzenbach, René P; Bucheli, Thomas D; Droge, Steven T J

2012-06-05

Although natural toxins, such as mycotoxins or phytoestrogens are widely studied and were recently identified as micropollutants in the environment, many of their environmentally relevant physicochemical properties have not yet been determined. Here, the sorption affinity to Pahokee peat, a model sorbent for soil organic matter, was investigated for 29 mycotoxins and two phytoestrogens. Sorption coefficients (K(oc)) were determined with a dynamic HPLC-based column method using a fully aqueous mobile phase with 5 mM CaCl(2) at pH 4.5. Sorption coefficients varied from less than 10(0.7) L/kg(oc) (e.g., all type B trichothecenes) to 10(4.0) L/kg(oc) (positively charged ergot alkaloids). For the neutral compounds the experimental sorption data set was compared with predicted sorption coefficients using various models, based on molecular fragment approaches (EPISuite's KOCWIN or SPARC), poly parameter linear free energy relationship (pp-LFER) in combination with predicted descriptors, and quantum-chemical based software (COSMOtherm)). None of the available models was able to adequately predict absolute K(oc) numbers and relative differences in sorption affinity for the whole set of neutral toxins, largely because mycotoxins exhibit highly complex structures. Hence, at present, for such compounds fast and consistent experimental techniques for determining sorption coefficients, as the one used in this study, are required.

Transfer coefficients in ultracold strongly coupled plasma

NASA Astrophysics Data System (ADS)

Bobrov, A. A.; Vorob'ev, V. S.; Zelener, B. V.

2018-03-01

We use both analytical and molecular dynamic methods for electron transfer coefficients in an ultracold plasma when its temperature is small and the coupling parameter characterizing the interaction of electrons and ions exceeds unity. For these conditions, we use the approach of nearest neighbor to determine the average electron (ion) diffusion coefficient and to calculate other electron transfer coefficients (viscosity and electrical and thermal conductivities). Molecular dynamics simulations produce electronic and ionic diffusion coefficients, confirming the reliability of these results. The results compare favorably with experimental and numerical data from earlier studies.

[Determination of equilibrium solubility and n-octanol/water partition coefficient of pulchinenosiden D by HPLC].

PubMed

Rao, Xiao-Yong; Yin, Shan; Zhang, Guo-Song; Luo, Xiao-Jian; Jian, Hui; Feng, Yu-Lin; Yang, Shi-Lin

2014-05-01

To determine the equilibrium solubility of pulchinenosiden D in different solvents and its n-octanol/water partition coefficients. Combining shaking flask method and high performance liquid chromatography (HPLC) to detect the n-octanol/water partition coefficients of pulchinenosiden D, the equilibrium solubility of pulchinenosiden D in six organic solvents and different pH buffer solution were determined by HPLC analysis. n-Octanol/water partition coefficients of pulchinenosiden D in different pH were greater than zero, the equilibrium solubility of pulchinenosiden D was increased with increase the pH of the buffer solution. The maximum equilibrium solubility of pulchinenosiden D was 255.89 g x L(-1) in methanol, and minimum equilibrium solubility of pulchinenosiden D was 0.20 g x L(-1) in acetonitrile. Under gastrointestinal physiological conditions, pulchinenosiden D exists in molecular state and it has good absorption but poor water-solubility, so increasing the dissolution rate of pulchinenosiden D may enhance its bioavailability.