COMPUTATIONAL MODELING OF A MULTI-LAYERED PIEZO-COMPOSITE BEAM MADE UP OF MFC

The Variational Asymptotic Method (VAM) is used for modeling a coupled non-linear electromechanical problem finding applications in aircrafts and Micro Aerial Vehicle (MAV) development. VAM coupled with geometrically exact kinematics forms a powerful tool for analyzing a complex nonlinear phenomena as shown previously by many in the literature 3 - 7] for various challenging problems like modeling of an initially twisted helicopter rotor blades, matrix crack propagation in a composite, modeling of hyper elastic plates and various multi-physics problems. The problem consists of design and analysis of a piezocomposite laminate applied with electrical voltage(s) which can induce direct and planar distributed shear stresses and strains in the structure. The deformations are large and conventional beam theories are inappropriate for the analysis. The behavior of an elastic body is completely understood by its energy. This energy must be integrated over the cross-sectional area to obtain the 1-D behavior as is typical in a beam analysis. VAM can be used efficiently to approximate 3-D strain energy as closely as possible. To perform this simplification, VAM makes use of thickness to width, width to length, width multiplied by initial twist and strain as small parameters embedded in the problem definition and provides a way to approach the exact solution asymptotically. In this work, above mentioned electromechanical problem is modeled using VAM which breaks down the 3-D elasticity problem into two parts, namely a 2-D non-linear cross-sectional analysis and a 1-D non-linear analysis, along the reference curve. The recovery relations obtained as a by-product in the cross-sectional analysis earlier are used to obtain 3-D stresses, displacements and velocity contours. The piezo-composite laminate which is chosen for an initial phase of computational modeling is made up of commercially available Macro Fiber Composites (MFCs) stacked together in an arbitrary lay-up and applied with electrical voltages for actuation. The expressions of sectional forces and moments as obtained from cross-sectional analysis in closed-form show the electro-mechanical coupling and relative contribution of electric field in individual layers of the piezo-composite laminate. The spatial and temporal constitutive law as obtained from the cross-sectional analysis are substituted into 1-D fully intrinsic, geometrically exact equilibrium equations of motion and 1-D intrinsic kinematical equations to solve for all 1-D generalized variables as function of time and an along the reference curve co-ordinate, x(1).

A literature survey on the real-time computational simulation of biological organs

This paper lists some references that could in some way be relevant in the context of the real-time computational simulation of biological organs, the research area being defined in a very broad sense. This paper contains 198 references.

System reliability of randomly vibrating structures: Computational modeling and laboratory testing

The problem of determination of system reliability of randomly vibrating structures arises in many application areas of engineering. We discuss in this paper approaches based on Monte Carlo simulations and laboratory testing to tackle problems of time variant system reliability estimation. The strategy we adopt is based on the application of Girsanov's transformation to the governing stochastic differential equations which enables estimation of probability of failure with significantly reduced number of samples than what is needed in a direct simulation study. Notably, we show that the ideas from Girsanov's transformation based Monte Carlo simulations can be extended to conduct laboratory testing to assess system reliability of engineering structures with reduced number of samples and hence with reduced testing times. Illustrative examples include computational studies on a 10 degree of freedom nonlinear system model and laboratory/computational investigations on road load response of an automotive system tested on a four post Lest rig. (C) 2015 Elsevier Ltd. All rights reserved.

Optimization of clamped beam geometry for fracture toughness testing of micron-scale samples

Fracture toughness measurements at the small scale have gained prominence over the years due to the continuing miniaturization of structural systems. Measurements carried out on bulk materials cannot be extrapolated to smaller length scales either due to the complexity of the microstructure or due to the size and geometric effect. Many new geometries have been proposed for fracture property measurements at small-length scales depending on the material behaviour and the type of device used in service. In situ testing provides the necessary environment to observe fracture at these length scales so as to determine the actual failure mechanism in these systems. In this paper, several improvements are incorporated to a previously proposed geometry of bending a doubly clamped beam for fracture toughness measurements. Both monotonic and cyclic loading conditions have been imposed on the beam to study R-curve and fatigue effects. In addition to the advantages that in situ SEM-based testing offers in such tests, FEM has been used as a simulation tool to replace cumbersome and expensive experiments to optimize the geometry. A description of all the improvements made to this specific geometry of clamped beam bending to make a variety of fracture property measurements is given in this paper.

Geomorphology reveals active decollement geometry in the central Himalayan seismic gap

The similar to 700-km-long ``central seismic gap'' is the most prominent segment of the Himalayan front not to have ruptured in a major earthquake during the last 200-500 yr. This prolonged seismic quiescence has led to the proposition that this region, with a population >10 million, is overdue for a great earthquake. Despite the region's recognized seismic risk, the geometry of faults likely to host large earthquakes remains poorly understood. Here, we place new constraints on the spatial distribution of rock uplift within the western similar to 400 km of the central seismic gap using topographic and river profile analyses together with basinwide erosion rate estimates from cosmogenic Be-10. The data sets show a distinctive physiographic transition at the base of the high Himalaya in the state of Uttarakhand, India, characterized by abrupt strike-normal increases in channel steepness and a tenfold increase in erosion rates. When combined with previously published geophysical imaging and seismicity data sets, we interpret the observed spatial distribution of erosion rates and channel steepness to reflect the landscape response to spatially variable rock uplift due to a structurally coherent ramp-flat system of the Main Himalayan Thrust. Although it remains unresolved whether the kinematics of the Main Himalayan Thrust ramp involve an emergent fault or duplex, the landscape and erosion rate patterns suggest that the decollement beneath the state of Uttarakhand provides a sufficiently large and coherent fault segment capable of hosting a great earthquake.

Computational modeling of reactive hot pressing of zirconium carbide

A model of reactive hot pressing of zirconium carbide (ZrCx, 0.5 < x < 1) has been constructed that incorporates four processes that occur in parallel: creep of zirconium (Zr), reaction of Zr and carbon (C), increase in volume fraction of hard phase with progressive reaction that reduces the creep of Zr and, finally, de-densification associated with volume reduction during reaction. The reasonable agreement of the model with experimental results verifies that plastic deformation of Zr is the main factor that is responsible for the low-temperature reactive densification of ZrC and that ZrC may be treated as a rigid inclusion that contributes little to densification. It predicts that densification is impaired by increasing carbon stoichiometry due to the increasing amount of starting hard phase and the greater contraction upon reaction. Additionally, the model predicts that mixtures of Zr and ZrC should show equal or better densification than Zr and C mixtures.

Three-dimensional numerical analysis of geocell-reinforced soft clay beds by considering the actual geometry of geocell pockets

Due to its complex honeycomb structure, the numerical modeling of the geocell has always been a big challenge. Generally, the equivalent composite approach is used to model the geocells. In the equivalent composite approach, the geocellsoil composite is treated as the soil layer with improved strength and stiffness values. Though this approach is very simple, it is unrealistic to model the geocells as the soil layer. This paper presents a more realistic approach of modeling the geocells in three-dimensional (3D) framework by considering the actual curvature of the geocell pocket. A square footing resting on geocell reinforced soft clay bed was modeled using the ``fast Lagrangian analysis of continua in 3D'' (FLAC(3D)) finite difference package. Three different material models, namely modified Cam-clay, Mohr-Coulomb, and linear elastic were used to simulate the behaviour of foundation soil, infill soil and the geocell, respectively. It was found that the geocells distribute the load laterally to the wider area below the footing as compared to the unreinforced case. More than 50% reduction in the stress was observed in the clay bed in the presence of geocells. In addition to geocells, two other cases, namely, only geogrid and geocell with additional basal geogrid cases were also simulated. The numerical model was systematically validated with the results of the physical model tests. Using the validated numerical model, parametric studies were conducted to evaluate the influence of various geocell properties on the performance of reinforced clay beds.

Numerical study of laminar, standing hydraulic jumps in a planar geometry

We solve the two-dimensional, planar Navier-Stokes equations to simulate a laminar, standing hydraulic jump using a Volume-of-Fluid method. The geometry downstream of the jump has been designed to be similar to experimental conditions by including a pit at the edge of the platform over which liquid film flows. We obtain jumps with and without separation. Increasing the inlet Froude number pushes the jump downstream and makes the slope of the jump weaker, consistent with experimental observations of circular jumps, and decreasing the Reynolds number brings the jump upstream while making it steeper. We study the effect of the length of the domain and that of a downstream obstacle on the structure and location of the jump. The transient flow which leads to a final steady jump is described for the first time to our knowledge. In the moderate Reynolds number regime, we obtain steady undular jumps with a separated bubble underneath the first few undulations. Interestingly, surface tension leads to shortening of wavelength of these undulations. We show that the undulations can be explained using the inviscid theory of Benjamin and Lighthill (Proc. R. Soc. London, Ser. A, 1954). We hope this new finding will motivate experimental verification.

SInCRe-structural interactome computational resource for Mycobacterium tuberculosis

We have developed an integrated database for Mycobacterium tuberculosis H37Rv (Mtb) that collates information on protein sequences, domain assignments, functional annotation and 3D structural information along with protein-protein and protein-small molecule interactions. SInCRe (Structural Interactome Computational Resource) is developed out of CamBan (Cambridge and Bangalore) collaboration. The motivation for development of this database is to provide an integrated platform to allow easily access and interpretation of data and results obtained by all the groups in CamBan in the field of Mtb informatics. In-house algorithms and databases developed independently by various academic groups in CamBan are used to generate Mtb-specific datasets and are integrated in this database to provide a structural dimension to studies on tuberculosis. The SInCRe database readily provides information on identification of functional domains, genome-scale modelling of structures of Mtb proteins and characterization of the small-molecule binding sites within Mtb. The resource also provides structure-based function annotation, information on small-molecule binders including FDA (Food and Drug Administration)-approved drugs, protein-protein interactions (PPIs) and natural compounds that bind to pathogen proteins potentially and result in weakening or elimination of host-pathogen protein-protein interactions. Together they provide prerequisites for identification of off-target binding.

A Computational Study of the Factors Influencing the PVC-Triggering Ability of a Cluster of Early Afterdepolarization-Capable Myocytes

Premature ventricular complexes (PVCs), which are abnormal impulse propagations in cardiac tissue, can develop because of various reasons including early afterdepolarizations (EADs). We show how a cluster of EAD-generating cells (EAD clump) can lead to PVCs in a model of cardiac tissue, and also investigate the factors that assist such clumps in triggering PVCs. In particular, we study, through computer simulations, the effects of the following factors on the PVC-triggering ability of an EAD clump: (1) the repolarization reserve (RR) of the EAD cells; (2) the size of the EAD clump; (3) the coupling strength between the EAD cells in the clump; and (4) the presence of fibroblasts in the EAD clump. We find that, although a low value of RR is necessary to generate EADs and hence PVCs, a very low value of RR leads to low-amplitude EAD oscillations that decay with time and do not lead to PVCs. We demonstrate that a certain threshold size of the EAD clump, or a reduction in the coupling strength between the EAD cells, in the clump, is required to trigger PVCs. We illustrate how randomly distributed inexcitable obstacles, which we use to model collagen deposits, affect PVC-triggering by an EAD clump. We show that the gap-junctional coupling of fibroblasts with myocytes can either assist or impede the PVC-triggering ability of an EAD clump, depending on the resting membrane potential of the fibroblasts and the coupling strength between the myocyte and fibroblasts. We also find that the triggering of PVCs by an EAD clump depends sensitively on factors like the pacing cycle length and the distribution pattern of the fibroblasts.

On the Equivalence of Acoustic Impedance and Squeeze Film Impedance in Micromechanical Resonators

In this work, we address the issue of modeling squeeze film damping in nontrivial geometries that are not amenable to analytical solutions. The design and analysis of microelectromechanical systems (MEMS) resonators, especially those that use platelike two-dimensional structures, require structural dynamic response over the entire range of frequencies of interest. This response calculation typically involves the analysis of squeeze film effects and acoustic radiation losses. The acoustic analysis of vibrating plates is a very well understood problem that is routinely carried out using the equivalent electrical circuits that employ lumped parameters (LP) for acoustic impedance. Here, we present a method to use the same circuit with the same elements to account for the squeeze film effects as well by establishing an equivalence between the parameters of the two domains through a rescaled equivalent relationship between the acoustic impedance and the squeeze film impedance. Our analysis is based on a simple observation that the squeeze film impedance rescaled by a factor of jx, where x is the frequency of oscillation, qualitatively mimics the acoustic impedance over a large frequency range. We present a method to curvefit the numerically simulated stiffness and damping coefficients which are obtained using finite element analysis (FEA) analysis. A significant advantage of the proposed method is that it is applicable to any trivial/nontrivial geometry. It requires very limited finite element method (FEM) runs within the frequency range of interest, hence reducing the computational cost, yet modeling the behavior in the entire range accurately. We demonstrate the method using one trivial and one nontrivial geometry.

Non-covalent C-Cl center dot center dot center dot pi interaction in acetylene-carbon tetrachloride adducts: Matrix isolation infrared and ab initio computational studies

Non-covalent halogen-bonding interactions between n cloud of acetylene (C2H2) and chlorine atom of carbon tetrachloride (CCl4) have been investigated using matrix isolation infrared spectroscopy and quantum chemical computations. The structure and the energies of the 1:1 C2H2-CCl4 adducts were computed at the B3LYP, MP2 and M05-2X levels of theory using 6-311++G(d,p) basis set. The computations indicated two minima for the 1:1 C2H2-CCl4 adducts; with the C-Cl center dot center dot center dot pi adduct being the global minimum, where pi cloud of C2H2 is the electron donor. The second minimum corresponded to a C-H...Cl adduct, in which C2H2 is the proton donor. The interaction energies for the adducts A and B were found to be nearly identical. Experimentally, both C-Cl center dot center dot center dot pi and C-H center dot center dot center dot Cl adducts were generated in Ar and N2 matrixes and characterized using infrared spectroscopy. This is the first report on halogen bonded adduct, stabilized through C-Cl center dot center dot center dot pi interaction being identified at low temperatures using matrix isolation infrared spectroscopy. Atoms in Molecules (AIM) and Natural Bond Orbital (NBO) analyses were performed to support the experimental results. The structures of 2:1 ((C2H2)(2)-CCl4) and 1:2 (C2H2-(CCl4)(2)) multimers and their identification in the low temperature matrixes were also discussed. (C) 2015 Elsevier B.V. All rights reserved.

High-throughput miniaturized microfluidic microscopy with radially parallelized channel geometry

In this article, we present a novel approach to throughput enhancement in miniaturized microfluidic microscopy systems. Using the presented approach, we demonstrate an inexpensive yet high-throughput analytical instrument. Using the high-throughput analytical instrument, we have been able to achieve about 125,880 cells per minute (more than one hundred and twenty five thousand cells per minute), even while employing cost-effective low frame rate cameras (120 fps). The throughput achieved here is a notable progression in the field of diagnostics as it enables rapid quantitative testing and analysis. We demonstrate the applicability of the instrument to point-of-care diagnostics, by performing blood cell counting. We report a comparative analysis between the counts (in cells per mu l) obtained from our instrument, with that of a commercially available hematology analyzer.

Flow Investigation of Linear Cluster Plug Nozzle

Computational and experimental tools have been used to understand the linear cluster plug nozzle flowfield for a range of pressure ratios. The experimental cluster configuration is arrived at from a linear plug nozzle by introducing splitter plates in the primary nozzle, and computational analysis of corresponding geometry is also carried out. The flow development on the plug surface has been analyzed for two different cluster module spacings. The interactions between the cluster module jets is a complex one with a three-dimensional shock structure because of the differential end condition the shock experiences on the plug wall and freejet boundary. A prominent streamwise vorticity resulting from curvature of the shock is also seen along the length of the plug downstream of the module junctions. The out-of-phase wave interactions occurring along the module centerline and the splitter plate centerline, resulting in a wavy surface-limiting streamline pattern, particularly at lower pressure ratios, is explained.

New insight into the architecture of oxy-anion pocket in unliganded conformation of GAT domains: A MD-simulation study

Human Guanine Monophosphate Synthetase (hGMPS) converts XMP to GMP, and acts as a bifunctional enzyme with N-terminal ``glutaminase'' (GAT) and C-terminal ``synthetase'' domain. The enzyme is identified as a potential target for anticancer and immunosuppressive therapies. GAT domain of enzyme plays central role in metabolism, and contains conserved catalytic residues Cys104, His190, and Glu192. MD simulation studies on GAT domain suggest that position of oxyanion in unliganded conformation is occupied by one conserved water molecule (W1), which also stabilizes that pocket. This position is occupied by a negatively charged atom of the substrate or ligand in ligand bound crystal structures. In fact, MD simulation study of Ser75 to Val indicates that W1 conserved water molecule is stabilized by Ser75, while Thr152, and His190 also act as anchor residues to maintain appropriate architecture of oxyanion pocket through water mediated H-bond interactions. Possibly, four conserved water molecules stabilize oxyanion hole in unliganded state, but they vacate these positions when the enzyme (hGMPS)-substrate complex is formed. Thus this study not only reveals functionally important role of conserved water molecules in GAT domain, but also highlights essential role of other non-catalytic residues such as Ser75 and Thr152 in this enzymatic domain. The results from this computational study could be of interest to experimental community and provide a testable hypothesis for experimental validation. Conserved sites of water molecules near and at oxyanion hole highlight structural importance of water molecules and suggest a rethink of the conventional definition of chemical geometry of inhibitor binding site.