Home About us Contact
|
Home About us Contact | ||
|
|
||
Length Scales (length + scale)
Kinds of Length Scales Selected AbstractsRole of Length Scale on Pressure Increase and Yield of Poly(vinyl butyral),Barium Titanate,Platinum Multilayer Ceramic Capacitors during Binder BurnoutJOURNAL OF THE AMERICAN CERAMIC SOCIETY, Issue 11 2000Leo C.-K. The binder-burnout kinetics of poly(vinyl) butyral from BaTiO3 multilayer ceramic capacitors with platinum metal electrodes were analyzed by combining thermogravimetric analysis with infrared spectroscopy. The rate of weight loss was accelerated when both BaTiO3 and platinum metal were present, and the presence of both metal and ceramic enhanced the production of CO2. The activation energy and pre-exponential factor were determined by analysis of the weight-loss data with a first-order kinetics model. Then, the decomposition kinetics were incorporated into a coupled heat- and mass-transport model to predict pressure increases as a function of the heating cycle. The heating cycles determined in this manner then were used to evaluate the yield of capacitors 1.3,3.8 cm long and 0.3,1.3 cm high. The optimum yield was realized at an aspect ratio (height:length) of 1:3. [source] Going Ultra: How We Can Increase the Length Scales Studied in Small-Angle Neutron Scattering,ADVANCED ENGINEERING MATERIALS, Issue 6 2009Melissa A. Sharp Abstract Small-angle neutron scattering (SANS) has over the years proved to be a popular technique to investigate a variety of problems in materials science, since the length scales probed by this technique (1,100,nm) are ideal for many systems. However, there are a number of problems where the length scale of interest is larger. In order to study such systems it is possible to combine SANS with ultra-small-angle neutron scattering (USANS). This allows the study of structures from a few nanometers up to 50,µm. Here it is shown how the combination of SANS and USANS has allowed for a wider range of problems within materials science and polymer science to be solved. [source] Supramolecular Self-Assembly: Self-Assembly of a Donor-Acceptor Dyad Across Multiple Length Scales: Functional Architectures for Organic Electronics (Adv. Funct.ADVANCED FUNCTIONAL MATERIALS, Issue 15 2009Mater. More than the sum of its parts: by covalently coupling polycyclic donor and acceptor moieties, Samori and co-workers demonstrate on page 2486 that a donor,acceptor dyad, based on nanographene and perylene, self-assembles into highly ordered supramolecular architectures with nanosegregated coaxial donor and acceptor regions. The cover image features an atomic force microscopy image of mesoscopic ribbons along with the proposed crystallographic arrangement of the constituent molecules. [source] Self-Assembly of a Donor-Acceptor Dyad Across Multiple Length Scales: Functional Architectures for Organic ElectronicsADVANCED FUNCTIONAL MATERIALS, Issue 15 2009Jeffrey M. Mativetsky Abstract Molecular dyads based on polycyclic electron donor (D) and electron acceptor (A) units represent suitable building blocks for forming highly ordered, solution-processable, nanosegregated D-A domains for potential use in (opto)electronic applications. A new dyad, based on alkyl substituted hexa- peri -hexabenzocoronene (HBC) and perylene monoimide (PMI) separated by an ethinylene linker, is shown to have a high tendency to self-assemble into ordered supramolecular arrangements at multiple length scales: macroscopic extruded filaments display long-range crystalline order, nanofiber networks are produced by simple spin-coating, and monolayers with a lamellar packing are formed by physisorption at the solution-HOPG interface. Moreover, highly uniform mesoscopic ribbons bearing atomically flat facets and steps with single-molecule heights self-assemble upon solvent-vapor annealing. Electrical measurements of HBC-PMI films and mesoscopic ribbons in a transistor configuration exhibit ambipolar transport with well balanced p- and n-type mobilities. Owing to the increased level of order at the supramolecular level, devices based on ribbons show mobility increases of more than one order of magnitude. [source] Hydraulic pathways in the crystalline rock of the KTBGEOPHYSICAL JOURNAL INTERNATIONAL, Issue 1 2000Günter Zimmermann Fracture systems and fluid pathways must be analysed in order to understand the dynamical processes in the upper crust. Various deterministic as well as stochastic fracture networks in the depth section of the Franconian Lineament (6900 to 7140 m), which appears as a brittle ductile shear zone and prominent seismic reflector, were modelled to simulate the hydraulic situation at the two boreholes of the Continental Deep Drilling Program (KTB). They led to estimations of the hydraulic permeability in crystalline rock. The geometrical parameters of the fractures, such as fracture locations and orientations, were determined from structural borehole measurements, which create an image of the borehole wall. The selection of potentially open fractures was decided according to the stress field. Only fractures with the dip direction (azimuth) of the fracture plane perpendicular to the maximum horizontal stress field were assumed to be open. The motivation for this assumption is the fact that the maximum horizontal stress is higher than the vertical stress from the formation, indicating that the state of stress is a strike-slip faulting. Therefore, the probability of open fractures due to this particular stress field at the KTB sites is enhanced. Length scales for fracture apertures and extensions were stochastically varied and calibrated by hydraulic experiments. The mean fracture aperture was estimated to be 25 ,m, assuming an exponential distribution, with corresponding permeability in the range of 10,16 m2. Similar results were also obtained for log-normal and normal distributions, with a variation of permeability of the order of a factor of 2. The influence of the fracture length on permeability of the stochastic networks was also studied. Decreasing the fracture length beyond a specific threshold of 10 m led to networks with vanishing connectivity and hence vanishing permeability. Therefore, we assume a mean fracture length exceeding the threshold of 10 m as a necessary assumption for a macroscopic hydraulically active fracture system at the KTB site. The calculated porosity due to the fracture network is of the order of 10,3 per cent, which at first sight contradicts the estimated matrix porosity of 1 to 2 per cent from borehole measurements and core measurements. It can be concluded from these results, however, that if the fluid transport is due to a macroscopic fracture system, only very low porosity is needed for hydraulic flow with permeabilities up to several 10,16 m2, and hence the contribution of matrix porosity to the hydraulic transport is of a subordinate nature. [source] Challenges of introducing quantitative elementary reactions in multiscale models of thin film depositionPHYSICA STATUS SOLIDI (B) BASIC SOLID STATE PHYSICS, Issue 9 2010Alessandro Barbato Abstract The implementation of detailed surface kinetic mechanisms describing the thin film growth dynamics into models of chemical vapor deposition (CVD) reactors has been a challenge for many years. In this article we review the literature concerning the study of the dynamics of the Si(100)2,×,1 surface and introduce a multiscale model that captures the main features of its reactivity. The model combines the results of ab initio calculations with an atomistic description of the Si surface, obtained using a 3D-kinetic Monte Carlo (KMC) model that explicitly accounts for the 2,×,1 surface reconstruction and the formation and diffusion of Si dimers on a hydrogenated surface. At the atomistic scale, we determined pre-exponential factors and activation energies of hydrogen desorption reactions proceeding through the 2H, 3H, and 4H mechanisms. The calculated kinetic constants were embedded in the KMC model and used to simulate literature TPD experimental data. The simulations were used to fit the activation energies of hydrogen desorption reactions, which showed that DFT calculations performed with B3LYP functionals are likely to overestimate hydrogen desorption energies by up to 9,kcal,mol,1, which was confirmed by successive ab initio calculations. Two examples of the solution of the KMC model in conjunction with a reactor scale model are provided, in which the coupling was performed adopting both a hierarchic and a two-way coupling strategy. We found that in the plasma deposition of nanocrystalline silicon performed at low substrate temperatures the growth proceeds through a layer-by-layer mechanism on a surface almost completely covered by hydrogen. The application of the same model to the simulation of the thermal CVD of Si showed that at intermediate growth temperatures, when the hydrogen surface concentration is high, a new hydrogen desorption mechanism, in which Si adatoms play an important role, is active. Length scales encountered in multiscale modeling of thin films deposition. [source] The use of short-lived radionuclides to quantify transitional bed material transport in a regulated riverEARTH SURFACE PROCESSES AND LANDFORMS, Issue 4 2007Nira L. Salant Abstract We investigate the use of the short-lived fallout radionuclide beryllium-7 (7Be; t1/2 = 53·4 days) as a tracer of medium and coarse sand (0·25,2 mm), which transitions between transport in suspension and as bed load, and evaluate the effects of impoundment on seasonal and spatial variations in bed sedimentation. We measure 7Be activities in approximately monthly samples from point bar and streambed sediments in one unregulated and one regulated stream. In the regulated stream our sampling spanned an array of flow and management conditions during the annual transition from flood control in the winter and early spring to run-of-the-river operation from late spring to autumn. Sediment stored behind the dam during the winter quickly became depleted in 7Be activity. This resulted in a pulse of ,dead' sediment released when the dam gates were opened in the spring which could be tracked as it moved downstream. Measured average sediment transport velocities (30,80 metres per day (m d,1)) exceed those typically reported for bulk bed load transport and are remarkably constant across varied flow regimes, possibly due to corresponding changes in bed sand fraction. Results also show that the length scale of the downstream impact of dam management on sediment transport is short (c. 1 km); beyond this distance the sediment trapped by the dam is replaced by new sediment from tributaries and other downstream sources. Copyright © 2006 John Wiley & Sons, Ltd. [source] Experimental determination of saltating glass particle dispersion in a turbulent boundary layerEARTH SURFACE PROCESSES AND LANDFORMS, Issue 14 2006H. T. Wang Abstract A horizontal saltation layer of glass particles in air is investigated experimentally over a flat bed and also over a triangular ridge in a wind tunnel. Particle concentrations are measured by light scattering diffusion (LSD) and digital image processing, and velocities using particle image velocimetry (PIV). All the statistical moments of the particle concentration are determined such as mean concentration, root mean square concentration fluctuations, skewness and flatness coefficients. Over the flat bed, it is confirmed that the mean concentration decreases exponentially with height, the mean dispersion height being a significant length scale. It is shown that the concentration distribution follows quite well a lognormal distribution. Over the ridge, measurements were made at the top of the ridge and in the cavity region and are compared with measurements without the ridge. On the hill crest, particles are retarded, the saltation layer decreases in thickness and concentration is increased. Downwind of the ridge, particle flow behaves like a jet, in particular no particle return flow is observed. Copyright © 2006 John Wiley & Sons, Ltd. [source] Particle path length distributions in meandering gravel-bed streams: results from physical modelsEARTH SURFACE PROCESSES AND LANDFORMS, Issue 9 2003Richard S. Pyrce Abstract In gravel-bed rivers with well-de,ned pool,bar morphology, the path length of transported bed particles must be, at least during ,channel-forming' ,ows, equal to the length scale of the morphology. This is the basis for some methods for estimating bed material transport rates. However, previous data, especially from ,eld tests, are often strongly positively skewed with mean much shorter than the pool,bar spacing. One possible explanation is that positively skewed distributions occur only in channels lacking distinct pool,bar topography or only at lower discharges in pool,bar channels. A series of ,ume experiments using ,uorescent tracers was used to measure path length distributions in low-sinuosity meandering channels to assess the relation with channel morphology and ,ow conditions. At channel-forming ,ows, 55 to 75 per cent of the tracer grains were deposited on the ,rst point bar downstream of the point of tracer input, with 15 per cent passing beyond the ,rst bar. Path length distributions are symmetrical with mean equal to the pool,bar spacing and can be described with a Cauchy distribution. In some cases there was a secondary mode close to the point of tracer introduction; this bimodal distribution ,ts a combined gamma,Cauchy distribution. Only when discharge was reduced below the channel-forming ,ow were frequency distributions unimodal and positively skewed with no relation to the pool,bar spacing. Thus, path length distributions become more symmetrical, and mean path length increases to coincide with pool,bar spacing, as ,ow approaches channel-forming conditions. This is a substantial modi,cation of existing models of particle transfer in gravel-bed rivers. Copyright © 2003 John Wiley & Sons, Ltd. [source] Dimensional response analysis of yielding structures with first-mode dominated responseEARTHQUAKE ENGINEERING AND STRUCTURAL DYNAMICS, Issue 10 2006Nicos Makris Abstract This paper introduces a new way of estimating the inelastic response of first-mode dominated structures with behaviour that can be approximated with the elastoplastic idealization. The proposed approach emerges from formal dimensional analysis and is liberated from the response of the elastic system. The application of the proposed method hinges upon the existence of a distinct time scale and a length scale that characterize the most energetic component of the ground shaking. Such time and length scales emerge naturally from the distinguishable pulses which dominate a wide class of strong earthquake records; they are directly related with the rise time and slip velocity of faulting, and can be formally extracted with validated mathematical models published in the literature. The most decisive feature of this work is that the inelastic response curves that result with the proposed approach assume similar shapes for different values of the normalized yield displacement. Because of this similarity the paper proposes a single inelastic response curve which offers directly the maximum inelastic displacement of the structure given the energetic pulse period and pulse amplitude of the ground shaking. When the proposed method is applied to MDOF structures it is not capable to estimate interstorey drifts nor is capable to capture the effects of negative stiffness which may result due to P-delta effect. Copyright © 2006 John Wiley & Sons, Ltd. [source] Going Ultra: How We Can Increase the Length Scales Studied in Small-Angle Neutron Scattering,ADVANCED ENGINEERING MATERIALS, Issue 6 2009Melissa A. Sharp Abstract Small-angle neutron scattering (SANS) has over the years proved to be a popular technique to investigate a variety of problems in materials science, since the length scales probed by this technique (1,100,nm) are ideal for many systems. However, there are a number of problems where the length scale of interest is larger. In order to study such systems it is possible to combine SANS with ultra-small-angle neutron scattering (USANS). This allows the study of structures from a few nanometers up to 50,µm. Here it is shown how the combination of SANS and USANS has allowed for a wider range of problems within materials science and polymer science to be solved. [source] Temperature-Resolved Local and Macroscopic Charge Carrier Transport in Thin P3HT Layers,ADVANCED FUNCTIONAL MATERIALS, Issue 14 2010Patrick Pingel Abstract Previous investigations of the field-effect mobility in poly(3-hexylthiophene) (P3HT) layers revealed a strong dependence on molecular weight (MW), which was shown to be closely related to layer morphology. Here, charge carrier mobilities of two P3HT MW fractions (medium-MW: Mn,=,7,200 g mol,1; high-MW: Mn,=,27,000 g mol,1) are probed as a function of temperature at a local and a macroscopic length scale, using pulse-radiolysis time-resolved microwave conductivity (PR-TRMC) and organic field-effect transistor measurements, respectively. In contrast to the macroscopic transport properties, the local intra-grain mobility depends only weakly on MW (being in the order of 10,2 cm2 V,1 s,1) and being thermally activated below the melting temperature for both fractions. The striking differences of charge transport at both length scales are related to the heterogeneity of the layer morphology. The quantitative analysis of temperature-dependent UV/Vis absorption spectra according to a model of F. C. Spano reveals that a substantial amount of disordered material is present in these P3HT layers. Moreover, the analysis predicts that aggregates in medium-MW P3HT undergo a "pre-melting" significantly below the actual melting temperature. The results suggest that macroscopic charge transport in samples of short-chain P3HT is strongly inhibited by the presence of disordered domains, while in high-MW P3HT the low-mobility disordered zones are bridged via inter-crystalline molecular connections. [source] Development of fire-retarded materials,Interpretation of cone calorimeter dataFIRE AND MATERIALS, Issue 5 2007B. Schartel Abstract There is little consensus within the fire science community on interpretation of cone calorimeter data, but there is a significant need to screen new flammability modified materials using the cone calorimeter. This article is the result of several discussions aiming to provide guidance in the use and interpretation of cone calorimetry for those directly involved with such measurements. This guidance is essentially empirical, and is not intended to replace the comprehensive scientific studies that already exist. The guidance discusses the fire scenario with respect to applied heat flux, length scale, temperature, ventilation, anaerobic pyrolysis and set-up represented by the cone calorimeter. The fire properties measured in the cone calorimeter are discussed, including heat release rate and its peak, the mass loss and char yield, effective heat of combustion and combustion efficiency, time to ignition and CO and smoke production together with deduced quantities such as FIGRA and MARHE. Special comments are made on the use of the cone calorimeter relating to sample thickness, textiles, foams and intumescent materials, and the distance of the cone heater from the sample surface. Finally, the relationship between cone calorimetry data and other tests is discussed. Copyright © 2007 John Wiley & Sons, Ltd. [source] Porous Polymer Coatings: a Versatile Approach to Superhydrophobic SurfacesADVANCED FUNCTIONAL MATERIALS, Issue 12 2009Pavel A. Levkin Abstract Here, a facile and inexpensive approach to superhydrophobic polymer coatings is presented. The method involves the in situ polymerization of common monomers in the presence of a porogenic solvent to afford superhydrophobic surfaces with the desired combination of micro- and nanoscale roughness. The method is applicable to a variety of substrates and is not limited to small areas or flat surfaces. The polymerized material can be ground into a superhydrophobic powder, which, once applied to a surface, renders it superhydrophobic. The morphology of the porous polymer structure can be efficiently controlled by composition of the polymerization mixture, while surface chemistry can be adjusted by photografting. Morphology control is used to reduce the globule size of the porous architecture from micro down to nanoscale thereby affording a transparent material. The influence of both surface chemistry as well as the length scale of surface roughness on the superhydrophobicity is discussed. [source] The lowermost mantle beneath northern Asia,II.GEOPHYSICAL JOURNAL INTERNATIONAL, Issue 1 2002Evidence for lower-mantle anisotropy Summary We have analysed prediffracted S -waves with turning points beneath northern Siberia in a study of anisotropy in the lowermost mantle. Deep-focus earthquakes beneath the Marianas, Izu Bonin and the Sea of Japan recorded at stations in western Europe are used. A correction for upper-mantle anisotropy is applied to the data. Comparisons of the data with synthetic data for models with and without a high velocity D, layer suggest that there is a velocity discontinuity at the top of the D, region and that the style of anisotropy is transversely isotropic in this region. Time separations between S -waves on the radial and transverse component show a weak trend where the separation increases with epicentral distance. A normalization of this separation with the travel distance within D, (300 km thick in this region) suggests that the anisotropy is uniformly distributed within this layer and has an average value of 0.5 per cent. A combination of different studies which investigate the structure of the lowermost mantle beneath Europe and northern Siberia reveals a complicated picture. Tomographic models from this area and evidence of D, anisotropy, lower mantle scatterers, reflections from a D, discontinuity and ultra-low-velocity zones suggest two distinct regions. One exhibits high velocities, D, anisotropy, a D, discontinuity and no evidence of scatterers or ultra-low-velocity zones. These features are likely associated with the palaeosubduction of the Izanagi plate well into the lowermost mantle. The other region has a lower overall velocity and shows evidence of scatterers and ultra-low-velocity zones, perhaps suggesting the presence of partial melt. These results suggest dramatic lateral variations in the nature of the lowermost mantle beneath northern Asia over a length scale of roughly 30 degrees. [source] Nonlinear Flow in Karst FormationsGROUND WATER, Issue 5 2009David A. Chin The variation of effective hydraulic conductivity as a function of specific discharge in several 0.2-m and 0.3-m cubes of Key Largo Limestone was investigated. The experimental results closely match the Forchheimer equation. Defining the pore-size length scale in terms of Forchheimer parameters, it is demonstrated that significant deviations from Darcian flow will occur when the Reynolds number exceeds 0.11. A particular threshold model previously proposed for use in karstic formations does not show strong agreement with the data near the onset of nonlinear flow. [source] PIV measurement and turbulence scale in turbulent combustionHEAT TRANSFER - ASIAN RESEARCH (FORMERLY HEAT TRANSFER-JAPANESE RESEARCH), Issue 7 2006Kazuhiro Yamamoto Abstract We have investigated turbulent combustion by PIV (Particle Image Velocimetry) technique. Comparing with LDV data, the validity of PIV measurements has been confirmed. Particularly, the conditions of sampling number and spatial resolution have been shown to yield reliable data using PIV. Based on the velocity fields in cold flow and combustion, the interaction between flame and flow has been discussed. It was observed that the flow field is changed by combustion and the turbulence is reduced. In order to determine statistical quantities such as mean velocity and RMS of velocity fluctuation, a sampling number of 1000 is needed. Moreover, the velocity correlation coefficient was evaluated to obtain the integral length scale of the flow. For both cold flow and combustion, the PIV estimated scale is very close to that of LDV based on the assumption of Taylor's hypothesis. As a result, the spatial resolution in this study is about 6 times smaller than the integral length scale. © 2006 Wiley Periodicals, Inc. Heat Trans Asian Res, 35(7): 501,512, 2006; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/htj.20129 [source] Engineering Nanoassemblies of PolysaccharidesADVANCED MATERIALS, Issue 28 2010Soheil Boddohi Abstract Polysaccharides offer a wealth of biochemical and biomechanical functionality that can be used to develop new biomaterials. In mammalian tissues, polysaccharides often exhibit a hierarchy of structure, which includes assembly at the nanometer length scale. Furthermore, their biochemical function is determined by their nanoscale organization. These biological nanostructures provide the inspiration for developing techniques to tune the assembly of polysaccharides at the nanoscale. These new polysaccharide nanostructures are being used for the stabilization and delivery of drugs, proteins, and genes, the engineering of cells and tissues, and as new platforms on which to study biochemistry. In biological systems polysaccharide nanostructures are assembled via bottom-up processes. Many biologically derived polysaccharides behave as polyelectrolytes, and their polyelectrolyte nature can be used to tune their bottom-up assembly. New techniques designed to tune the structure and composition of polysaccharides at the nanoscale are enabling researchers to study in detail the emergent biological properties that arise from the nanoassembly of these important biological macromolecules. [source] Nonspherical Noble Metal Nanoparticles: Colloid-Chemical Synthesis and Morphology ControlADVANCED MATERIALS, Issue 16 2010Tapan K. Sau Abstract Metal nanoparticles have been the subject of widespread research over the past two decades. In recent years, noble metals have been the focus of numerous studies involving synthesis, characterization, and applications. Synthesis of an impressive range of noble metal nanoparticles with varied morphologies has been reported. Researchers have made a great progress in learning how to engineer materials on a nanometer length scale that has led to the understanding of the fundamental size- and shape-dependent properties of matter and to devising of new applications. In this article, we review the recent progress in the colloid-chemical synthesis of nonspherical nanoparticles of a few important noble metals (mainly Ag, Au, Pd, and Pt), highlighting the factors that influence the particle morphology and discussing the mechanisms behind the nonspherical shape evolution. The article attempts to present a thorough discussion of the basic principles as well as state-of-the-art morphology control in noble metal nanoparticles. [source] Nanostructured Calcite Single Crystals with Gyroid MorphologiesADVANCED MATERIALS, Issue 38-39 2009Alexander S. Finnemore Gyroid-structured calcite crystals are grown by templating though self-assembled copolymer films. The remarkable triply periodic minimal surface is perfectly replicated on the nanometer scale, while single crystallinity is maintained. This is a wholly synthetic route to a crystal morphology found in biological systems, only on a smaller length scale. [source] Microstructured Surfaces Cause Severe but Non-Detrimental Deformation of the Cell NucleusADVANCED MATERIALS, Issue 35 2009Patricia M. Davidson Surface features on the length scale of organelles allow their manipulation. Here, we present observations of an unexpected deformation of nuclei within cells growing on surfaces with micrometer-sized pillars. Our results demonstrate that a microstructured surface can induce strong shape deformations in cells, without harmful consequences, and strongly suggest that these are limited to cancerous cells. [source] Advanced Material Strategies for Tissue Engineering ScaffoldsADVANCED MATERIALS, Issue 32-33 2009Lisa E. Freed Abstract Tissue engineering seeks to restore the function of diseased or damaged tissues through the use of cells and biomaterial scaffolds. It is now apparent that the next generation of functional tissue replacements will require advanced material strategies to achieve many of the important requirements for long-term success. Here, we provide representative examples of engineered skeletal and myocardial tissue constructs in which scaffolds were explicitly designed to match native tissue mechanical properties as well as to promote cell alignment. We discuss recent progress in microfluidic devices that can potentially serve as tissue engineering scaffolds, since mass transport via microvascular-like structures will be essential in the development of tissue engineered constructs on the length scale of native tissues. Given the rapid evolution of the field of tissue engineering, it is important to consider the use of advanced materials in light of the emerging role of genetics, growth factors, bioreactors, and other technologies. [source] Modelling strain localization in granular materials using micropolar theory: numerical implementation and verificationINTERNATIONAL JOURNAL FOR NUMERICAL AND ANALYTICAL METHODS IN GEOMECHANICS, Issue 15 2006Khalid A. Alshibli Abstract Implementation and applications for a constitutive numerical model on F-75 silica sand, course silica sand and two sizes of glass beads compressed under plane strain conditions are presented in this work. The numerical model is used to predict the stress versus axial strain and volumetric strain versus axial strain relationships of those materials; moreover, comparisons between measured and predicted shear band thickness and inclination angles are discussed and the numerical results compare well with the experimental measurements. The numerical model is found to respond to the changes in confining pressure and the initial relative density of a given granular material. The mean particle size is used as an internal length scale. Increasing the confining pressure and the initial density is found to decrease the shear band thickness and increase the inclination angle. The micropolar or Cosserat theory is found to be effective in capturing strain localization in granular materials. The finite element formulations and the solution method for the boundary value problem in the updated Lagrangian frame (UP) are discussed in the companion paper. Copyright © 2006 John Wiley & Sons, Ltd. [source] Application of micropolar plasticity to post failure analysis in geomechanicsINTERNATIONAL JOURNAL FOR NUMERICAL AND ANALYTICAL METHODS IN GEOMECHANICS, Issue 10 2004Majid T. Manzari Abstract A micropolar elastoplastic model for soils is formulated and a series of finite element analyses are employed to demonstrate the use of a micropolar continuum in overcoming the numerical difficulties encountered in application of finite element method in standard Cauchy,Boltzmann continuum. Three examples of failure analysis involving a deep excavation, shallow foundation, and a retaining wall are presented. In all these cases, it is observed that the length scale introduced in the polar continuum regularizes the incremental boundary value problem and allows the numerical simulation to be continued until a clear collapse mechanism is achieved. The issue of grain size effect is also discussed. Copyright © 2004 John Wiley & Sons, Ltd. [source] Dynamic response of soft poroelastic bed to linear water waves,a boundary layer correction approachINTERNATIONAL JOURNAL FOR NUMERICAL AND ANALYTICAL METHODS IN GEOMECHANICS, Issue 7 2001Ping-Cheng Hsieh Abstract According to Chen et al. (Journal of Engineering Mechanics, ASCE 1997; 123(10):1041,1049.) a boundary layer exists within the porous bed and near the homogeneous-water/porous-bed interface when oscillatory water waves propagate over a soft poroelastic bed. This boundary layer makes the evaluation of the second kind of longitudinal wave inside the soft poroelastic bed very inaccurate. In this study, the boundary layer correction approach for the poroelastic bed is applied to the boundary value problem of linear oscillatory water waves propagating over a soft poroelastic bed. After the analyses of length scale and order of magnitude of physical variables are done, a perturbation expansion for the boundary layer correction approach based on two small parameters is proposed and solved. The solutions are carried out for the first and third kind of waves throughout the entire domain. The second kind of wave which disappears outside the boundary layer is solved systematically inside the boundary layer. The results are compared with the linear wave solutions of Huang and Song (Journal of Engineering Mechanics, ASCE 1993; 119:1003,1020.) to confirm the validity. Moreover, a simplified boundary layer correction formulation which is expected to be very useful in numerical computation is also proposed. Copyright © 2001 John Wiley & Sons, Ltd. [source] Multidimensional Generation of Combinatorial Organic Arrays by Selective Wetting InscriptionADVANCED MATERIALS, Issue 5 2009Yu-Jin Na Based on selective wetting inscription, a highly parallel and error-proof platform is developed to integrate different classes of solution-processed organic elements into 2D and 3D combinatorial arrays with high resolution. By simple solution coating, disparate elements can be precisely self-registered in a pattern-by-pattern or pattern-on-pattern fashion within the framework of the wetting transition as a length scale. [source] Reducing dimensionality in topology optimization using adaptive design variable fieldsINTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING, Issue 8 2010James K. Guest Abstract Topology optimization methodologies typically use the same discretization for the design variable and analysis meshes. Analysis accuracy and expense are thus directly tied to design dimensionality and optimization expense. This paper proposes leveraging properties of the Heaviside projection method (HPM) to separate the design variable field from the analysis mesh in continuum topology optimization. HPM projects independent design variables onto element space over a prescribed length scale. A single design variable therefore influences several elements, creating a redundancy within the design that can be exploited to reduce the number of independent design variables without significantly restricting the design space. The algorithm begins with sparse design variable fields and adapts these fields as the optimization progresses. The technique is demonstrated on minimum compliance (maximum stiffness) problems solved using continuous optimization and genetic algorithms. For the former, the proposed algorithm typically identifies solutions having objective functions within 1% of those found using full design variable fields. Computational savings are minor to moderate for the minimum compliance formulation with a single constraint, and are substantial for formulations having many local constraints. When using genetic algorithms, solutions are consistently obtained on mesh resolutions that were previously considered intractable. Copyright © 2009 John Wiley & Sons, Ltd. [source] A novel approach to the analysis of distributed shear banding in polymer blendsINTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING, Issue 5 2003K. G. W. Pijnenburg Abstract The toughness of glassy polymers can be enhanced by blending with rubber particles. The consensus is that this toughening is due to massive plastic deformation of the matrix that takes place once the particles have cavitated. Micromechanical studies of regular stackings of particles in a polymer matrix have provided much insight into the localized plastic flow in blends at the microscale of individual particles (or voids, once cavitated). Even some steps towards macroscopic constitutive models have been made. However, at intermediate length scales (i.e. larger than several particles, but smaller than the scale at which the material may be regarded as homogeneous) the situation is unclear. It is this length scale that becomes important around crack tips, for example, where a thorough understanding of the toughening effect has to be derived from. In this paper, we therefore present a novel approach to the analysis of distributed shear banding in polymer,rubber blends. A coarse-grain description, in which much of the morphology is retained but the local shear banding is idealized into ,shear surfaces', will enable us to analyse ensembles with large numbers of particles. The parameters of this model will be validated with results from detailed cell analyses. Copyright © 2003 John Wiley Sons, Ltd. [source] A spectral projection method for the analysis of autocorrelation functions and projection errors in discrete particle simulationINTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS, Issue 7 2008André Kaufmann Abstract Discrete particle simulation is a well-established tool for the simulation of particles and droplets suspended in turbulent flows of academic and industrial applications. The study of some properties such as the preferential concentration of inertial particles in regions of high shear and low vorticity requires the computation of autocorrelation functions. This can be a tedious task as the discrete point particles need to be projected in some manner to obtain the continuous autocorrelation functions. Projection of particle properties on to a computational grid, for instance, the grid of the carrier phase, is furthermore an issue when quantities such as particle concentrations are to be computed or source terms between the carrier phase and the particles are exchanged. The errors committed by commonly used projection methods are often unknown and are difficult to analyse. Grid and sampling size limit the possibilities in terms of precision per computational cost. Here, we present a spectral projection method that is not affected by sampling issues and addresses all of the above issues. The technique is only limited by computational resources and is easy to parallelize. The only visible drawback is the limitation to simple geometries and therefore limited to academic applications. The spectral projection method consists of a discrete Fourier-transform of the particle locations. The Fourier-transformed particle number density and momentum fields can then be used to compute the autocorrelation functions and the continuous physical space fields for the evaluation of the projection methods error. The number of Fourier components used to discretize the projector kernel can be chosen such that the corresponding characteristic length scale is as small as needed. This allows to study the phenomena of particle motion, for example, in a region of preferential concentration that may be smaller than the cell size of the carrier phase grid. The precision of the spectral projection method depends, therefore, only on the number of Fourier modes considered. Copyright © 2008 John Wiley & Sons, Ltd. [source] From quantum chemistry and the classical theory of polar liquids to continuum approximations in molecular mechanics calculations,INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Issue 5 2005Sergio A. Hassan Abstract Biological macromolecules and other polymers belong to the class of mesoscopic systems, with characteristic length scale of the order of a nanometer. Although microscopic models would be the preferred choice in theoretical calculations, their use in computer simulations becomes prohibitive for large systems or long simulation times. On the other hand, the use of purely macroscopic models in the mesoscopic domain may introduce artifacts, with effects that are difficult to assess and that may compromise the reliability of the calculations. Here is proposed an approach with the aim of minimizing the empirical nature of continuum approximations of solvent effects within the scope of molecular mechanics (MM) approximations in mesoscopic systems. Using quantum chemical methods, the potential generated by the molecular electron density is first decomposed in a multicenter-multipole expansion around predetermined centers. The monopole and dipole terms of the expansion at each site create electric fields that polarize the surrounding aqueous medium whose dielectric properties can be described by the classical theory of polar liquids. Debye's theory allows a derivation of the dielectric profiles created around isolated point charges and dipoles that can incorporate Onsager reaction field corrections. A superposition of screened Coulomb potentials obtained from this theory makes possible a simple derivation of a formal expression for the total electrostatic energy and the polar component of the solvation energy of the system. A discussion is presented on the physical meaning of the model parameters, their transferability, and their convergence to calculable quantities in the limit of simple systems. The performance of this continuum approximation in computer calculations of amino acids in the context of an atomistic force field is discussed. Applications of a continuum model based on screened Coulomb potentials in multinanosecond simulations of peptides and proteins are briefly reviewed. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005 [source] | |||||||||||||||||||||||||||||||||||||||||||