Sample records for elastic network simulation

  1. ChainMail based neural dynamics modeling of soft tissue deformation for surgical simulation.

    PubMed

    Zhang, Jinao; Zhong, Yongmin; Smith, Julian; Gu, Chengfan

    2017-07-20

    Realistic and real-time modeling and simulation of soft tissue deformation is a fundamental research issue in the field of surgical simulation. In this paper, a novel cellular neural network approach is presented for modeling and simulation of soft tissue deformation by combining neural dynamics of cellular neural network with ChainMail mechanism. The proposed method formulates the problem of elastic deformation into cellular neural network activities to avoid the complex computation of elasticity. The local position adjustments of ChainMail are incorporated into the cellular neural network as the local connectivity of cells, through which the dynamic behaviors of soft tissue deformation are transformed into the neural dynamics of cellular neural network. Experiments demonstrate that the proposed neural network approach is capable of modeling the soft tissues' nonlinear deformation and typical mechanical behaviors. The proposed method not only improves ChainMail's linear deformation with the nonlinear characteristics of neural dynamics but also enables the cellular neural network to follow the principle of continuum mechanics to simulate soft tissue deformation.

  2. Rubber elasticity for percolation network consisting of Gaussian chains.

    PubMed

    Nishi, Kengo; Noguchi, Hiroshi; Sakai, Takamasa; Shibayama, Mitsuhiro

    2015-11-14

    A theory describing the elastic modulus for percolation networks of Gaussian chains on general lattices such as square and cubic lattices is proposed and its validity is examined with simulation and mechanical experiments on well-defined polymer networks. The theory was developed by generalizing the effective medium approximation (EMA) for Hookian spring network to Gaussian chain networks. From EMA theory, we found that the ratio of the elastic modulus at p, G to that at p = 1, G0, must be equal to G/G0 = (p - 2/f)/(1 - 2/f) if the position of sites can be determined so as to meet the force balance, where p is the degree of cross-linking reaction. However, the EMA prediction cannot be applicable near its percolation threshold because EMA is a mean field theory. Thus, we combine real-space renormalization and EMA and propose a theory called real-space renormalized EMA, i.e., REMA. The elastic modulus predicted by REMA is in excellent agreement with the results of simulations and experiments of near-ideal diamond lattice gels.

  3. Rubber elasticity for percolation network consisting of Gaussian chains

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

    Nishi, Kengo, E-mail: kengo.nishi@phys.uni-goettingen.de, E-mail: sakai@tetrapod.t.u-tokyo.ac.jp, E-mail: sibayama@issp.u-tokyo.ac.jp; Noguchi, Hiroshi; Shibayama, Mitsuhiro, E-mail: kengo.nishi@phys.uni-goettingen.de, E-mail: sakai@tetrapod.t.u-tokyo.ac.jp, E-mail: sibayama@issp.u-tokyo.ac.jp

    2015-11-14

    A theory describing the elastic modulus for percolation networks of Gaussian chains on general lattices such as square and cubic lattices is proposed and its validity is examined with simulation and mechanical experiments on well-defined polymer networks. The theory was developed by generalizing the effective medium approximation (EMA) for Hookian spring network to Gaussian chain networks. From EMA theory, we found that the ratio of the elastic modulus at p, G to that at p = 1, G{sub 0}, must be equal to G/G{sub 0} = (p − 2/f)/(1 − 2/f) if the position of sites can be determined somore » as to meet the force balance, where p is the degree of cross-linking reaction. However, the EMA prediction cannot be applicable near its percolation threshold because EMA is a mean field theory. Thus, we combine real-space renormalization and EMA and propose a theory called real-space renormalized EMA, i.e., REMA. The elastic modulus predicted by REMA is in excellent agreement with the results of simulations and experiments of near-ideal diamond lattice gels.« less

  4. Simulation of the mechanical behavior of random fiber networks with different microstructure.

    PubMed

    Hatami-Marbini, H

    2018-05-24

    Filamentous protein networks are broadly encountered in biological systems such as cytoskeleton and extracellular matrix. Many numerical studies have been conducted to better understand the fundamental mechanisms behind the striking mechanical properties of these networks. In most of these previous numerical models, the Mikado algorithm has been used to represent the network microstructure. Here, a different algorithm is used to create random fiber networks in order to investigate possible roles of architecture on the elastic behavior of filamentous networks. In particular, random fibrous structures are generated from the growth of individual fibers from random nucleation points. We use computer simulations to determine the mechanical behavior of these networks in terms of their model parameters. The findings are presented and discussed along with the response of Mikado fiber networks. We demonstrate that these alternative networks and Mikado networks show a qualitatively similar response. Nevertheless, the overall elasticity of Mikado networks is stiffer compared to that of the networks created using the alternative algorithm. We describe the effective elasticity of both network types as a function of their line density and of the material properties of the filaments. We also characterize the ratio of bending and axial energy and discuss the behavior of these networks in terms of their fiber density distribution and coordination number.

  5. Coupling Field Theory with Mesoscopic Dynamical Simulations of Multicomponent Lipid Bilayers

    PubMed Central

    McWhirter, J. Liam; Ayton, Gary; Voth, Gregory A.

    2004-01-01

    A method for simulating a two-component lipid bilayer membrane in the mesoscopic regime is presented. The membrane is modeled as an elastic network of bonded points; the spring constants of these bonds are parameterized by the microscopic bulk modulus estimated from earlier atomistic nonequilibrium molecular dynamics simulations for several bilayer mixtures of DMPC and cholesterol. The modulus depends on the composition of a point in the elastic membrane model. The dynamics of the composition field is governed by the Cahn-Hilliard equation where a free energy functional models the coupling between the composition and curvature fields. The strength of the bonds in the elastic network are then modulated noting local changes in the composition and using a fit to the nonequilibrium molecular dynamics simulation data. Estimates for the magnitude and sign of the coupling parameter in the free energy model are made treating the bending modulus as a function of composition. A procedure for assigning the remaining parameters in the free energy model is also outlined. It is found that the square of the mean curvature averaged over the entire simulation box is enhanced if the strength of the bonds in the elastic network are modulated in response to local changes in the composition field. We suggest that this simulation method could also be used to determine if phase coexistence affects the stress response of the membrane to uniform dilations in area. This response, measured in the mesoscopic regime, is already known to be conditioned or renormalized by thermal undulations. PMID:15347594

  6. Molecular dynamics study on the evolution of interfacial dislocation network and mechanical properties of Ni-based single crystal superalloys

    NASA Astrophysics Data System (ADS)

    Li, Nan-Lin; Wu, Wen-Ping; Nie, Kai

    2018-05-01

    The evolution of misfit dislocation network at γ /γ‧ phase interface and tensile mechanical properties of Ni-based single crystal superalloys at various temperatures and strain rates are studied by using molecular dynamics (MD) simulations. From the simulations, it is found that with the increase of loading, the dislocation network effectively inhibits dislocations emitted in the γ matrix cutting into the γ‧ phase and absorbs the matrix dislocations to strengthen itself which increases the stability of structure. Under the influence of the temperature, the initial mosaic structure of dislocation network gradually becomes irregular, and the initial misfit stress and the elastic modulus slowly decline as temperature increasing. On the other hand, with the increase of the strain rate, it almost has no effect on the elastic modulus and the way of evolution of dislocation network, but contributes to the increases of the yield stress and tensile strength. Moreover, tension-compression asymmetry of Ni-based single crystal superalloys is also presented based on MD simulations.

  7. Recursive regularization for inferring gene networks from time-course gene expression profiles

    PubMed Central

    Shimamura, Teppei; Imoto, Seiya; Yamaguchi, Rui; Fujita, André; Nagasaki, Masao; Miyano, Satoru

    2009-01-01

    Background Inferring gene networks from time-course microarray experiments with vector autoregressive (VAR) model is the process of identifying functional associations between genes through multivariate time series. This problem can be cast as a variable selection problem in Statistics. One of the promising methods for variable selection is the elastic net proposed by Zou and Hastie (2005). However, VAR modeling with the elastic net succeeds in increasing the number of true positives while it also results in increasing the number of false positives. Results By incorporating relative importance of the VAR coefficients into the elastic net, we propose a new class of regularization, called recursive elastic net, to increase the capability of the elastic net and estimate gene networks based on the VAR model. The recursive elastic net can reduce the number of false positives gradually by updating the importance. Numerical simulations and comparisons demonstrate that the proposed method succeeds in reducing the number of false positives drastically while keeping the high number of true positives in the network inference and achieves two or more times higher true discovery rate (the proportion of true positives among the selected edges) than the competing methods even when the number of time points is small. We also compared our method with various reverse-engineering algorithms on experimental data of MCF-7 breast cancer cells stimulated with two ErbB ligands, EGF and HRG. Conclusion The recursive elastic net is a powerful tool for inferring gene networks from time-course gene expression profiles. PMID:19386091

  8. Dynamics Behaviors of Scale-Free Networks with Elastic Demand

    NASA Astrophysics Data System (ADS)

    Li, Yan-Lai; Sun, Hui-Jun; Wu, Jian-Jun

    Many real-world networks, such as transportation networks and Internet, have the scale-free properties. It is important to study the bearing capacity of such networks. Considering the elastic demand condition, we analyze load distributions and bearing capacities with different parameters through artificially created scale-free networks. The simulation results show that the load distribution follows a power-law form, which means some ordered pairs, playing the dominant role in the transportation network, have higher demand than other pairs. We found that, with the decrease of perceptual error, the total and average ordered pair demand will decrease and then stay in a steady state. However, with the increase of the network size, the average demand of each ordered pair will decrease, which is particularly interesting for the network design problem.

  9. Elastic collapse in disordered isostatic networks

    NASA Astrophysics Data System (ADS)

    Moukarzel, C. F.

    2012-02-01

    Isostatic networks are minimally rigid and therefore have, generically, nonzero elastic moduli. Regular isostatic networks have finite moduli in the limit of large sizes. However, numerical simulations show that all elastic moduli of geometrically disordered isostatic networks go to zero with system size. This holds true for positional as well as for topological disorder. In most cases, elastic moduli decrease as inverse power laws of system size. On directed isostatic networks, however, of which the square and cubic lattices are particular cases, the decrease of the moduli is exponential with size. For these, the observed elastic weakening can be quantitatively described in terms of the multiplicative growth of stresses with system size, giving rise to bulk and shear moduli of order e-bL. The case of sphere packings, which only accept compressive contact forces, is considered separately. It is argued that these have a finite bulk modulus because of specific correlations in contact disorder, introduced by the constraint of compressivity. We discuss why their shear modulus, nevertheless, is again zero for large sizes. A quantitative model is proposed that describes the numerically measured shear modulus, both as a function of the loading angle and system size. In all cases, if a density p>0 of overconstraints is present, as when a packing is deformed by compression or when a glass is outside its isostatic composition window, all asymptotic moduli become finite. For square networks with periodic boundary conditions, these are of order \\sqrt{p} . For directed networks, elastic moduli are of order e-c/p, indicating the existence of an "isostatic length scale" of order 1/p.

  10. Surrogate Modeling of High-Fidelity Fracture Simulations for Real-Time Residual Strength Predictions

    NASA Technical Reports Server (NTRS)

    Spear, Ashley D.; Priest, Amanda R.; Veilleux, Michael G.; Ingraffea, Anthony R.; Hochhalter, Jacob D.

    2011-01-01

    A surrogate model methodology is described for predicting in real time the residual strength of flight structures with discrete-source damage. Starting with design of experiment, an artificial neural network is developed that takes as input discrete-source damage parameters and outputs a prediction of the structural residual strength. Target residual strength values used to train the artificial neural network are derived from 3D finite element-based fracture simulations. A residual strength test of a metallic, integrally-stiffened panel is simulated to show that crack growth and residual strength are determined more accurately in discrete-source damage cases by using an elastic-plastic fracture framework rather than a linear-elastic fracture mechanics-based method. Improving accuracy of the residual strength training data would, in turn, improve accuracy of the surrogate model. When combined, the surrogate model methodology and high-fidelity fracture simulation framework provide useful tools for adaptive flight technology.

  11. Surrogate Modeling of High-Fidelity Fracture Simulations for Real-Time Residual Strength Predictions

    NASA Technical Reports Server (NTRS)

    Spear, Ashley D.; Priest, Amanda R.; Veilleux, Michael G.; Ingraffea, Anthony R.; Hochhalter, Jacob D.

    2011-01-01

    A surrogate model methodology is described for predicting, during flight, the residual strength of aircraft structures that sustain discrete-source damage. Starting with design of experiment, an artificial neural network is developed that takes as input discrete-source damage parameters and outputs a prediction of the structural residual strength. Target residual strength values used to train the artificial neural network are derived from 3D finite element-based fracture simulations. Two ductile fracture simulations are presented to show that crack growth and residual strength are determined more accurately in discrete-source damage cases by using an elastic-plastic fracture framework rather than a linear-elastic fracture mechanics-based method. Improving accuracy of the residual strength training data does, in turn, improve accuracy of the surrogate model. When combined, the surrogate model methodology and high fidelity fracture simulation framework provide useful tools for adaptive flight technology.

  12. A new paradigm for the molecular basis of rubber elasticity

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

    Hanson, David E.; Barber, John L.

    The molecular basis for rubber elasticity is arguably the oldest and one of the most important questions in the field of polymer physics. The theoretical investigation of rubber elasticity began in earnest almost a century ago with the development of analytic thermodynamic models, based on simple, highly-symmetric configurations of so-called Gaussian chains, i.e. polymer chains that obey Markov statistics. Numerous theories have been proposed over the past 90 years based on the ansatz that the elastic force for individual network chains arises from the entropy change associated with the distribution of end-to-end distances of a free polymer chain. There aremore » serious philosophical objections to this assumption and others, such as the assumption that all network nodes undergo affine motion and that all of the network chains have the same length. Recently, a new paradigm for elasticity in rubber networks has been proposed that is based on mechanisms that originate at the molecular level. Using conventional statistical mechanics analyses, quantum chemistry, and molecular dynamics simulations, the fundamental entropic and enthalpic chain extension forces for polyisoprene (natural rubber) have been determined, along with estimates for the basic force constants. Concurrently, the complex morphology of natural rubber networks (the joint probability density distributions that relate the chain end-to-end distance to its contour length) has also been captured in a numerical model. When molecular chain forces are merged with the network structure in this model, it is possible to study the mechanical response to tensile and compressive strains of a representative volume element of a polymer network. As strain is imposed on a network, pathways of connected taut chains, that completely span the network along strain axis, emerge. Although these chains represent only a few percent of the total, they account for nearly all of the elastic stress at high strain. Here we provide a brief review of previous elasticity theories and their deficiencies, and present a new paradigm with an emphasis on experimental comparisons.« less

  13. A new paradigm for the molecular basis of rubber elasticity

    DOE PAGES

    Hanson, David E.; Barber, John L.

    2015-02-19

    The molecular basis for rubber elasticity is arguably the oldest and one of the most important questions in the field of polymer physics. The theoretical investigation of rubber elasticity began in earnest almost a century ago with the development of analytic thermodynamic models, based on simple, highly-symmetric configurations of so-called Gaussian chains, i.e. polymer chains that obey Markov statistics. Numerous theories have been proposed over the past 90 years based on the ansatz that the elastic force for individual network chains arises from the entropy change associated with the distribution of end-to-end distances of a free polymer chain. There aremore » serious philosophical objections to this assumption and others, such as the assumption that all network nodes undergo affine motion and that all of the network chains have the same length. Recently, a new paradigm for elasticity in rubber networks has been proposed that is based on mechanisms that originate at the molecular level. Using conventional statistical mechanics analyses, quantum chemistry, and molecular dynamics simulations, the fundamental entropic and enthalpic chain extension forces for polyisoprene (natural rubber) have been determined, along with estimates for the basic force constants. Concurrently, the complex morphology of natural rubber networks (the joint probability density distributions that relate the chain end-to-end distance to its contour length) has also been captured in a numerical model. When molecular chain forces are merged with the network structure in this model, it is possible to study the mechanical response to tensile and compressive strains of a representative volume element of a polymer network. As strain is imposed on a network, pathways of connected taut chains, that completely span the network along strain axis, emerge. Although these chains represent only a few percent of the total, they account for nearly all of the elastic stress at high strain. Here we provide a brief review of previous elasticity theories and their deficiencies, and present a new paradigm with an emphasis on experimental comparisons.« less

  14. Hybrid services efficient provisioning over the network coding-enabled elastic optical networks

    NASA Astrophysics Data System (ADS)

    Wang, Xin; Gu, Rentao; Ji, Yuefeng; Kavehrad, Mohsen

    2017-03-01

    As a variety of services have emerged, hybrid services have become more common in real optical networks. Although the elastic spectrum resource optimizations over the elastic optical networks (EONs) have been widely investigated, little research has been carried out on the hybrid services of the routing and spectrum allocation (RSA), especially over the network coding-enabled EON. We investigated the RSA for the unicast service and network coding-based multicast service over the network coding-enabled EON with the constraints of time delay and transmission distance. To address this issue, a mathematical model was built to minimize the total spectrum consumption for the hybrid services over the network coding-enabled EON under the constraints of time delay and transmission distance. The model guarantees different routing constraints for different types of services. The immediate nodes over the network coding-enabled EON are assumed to be capable of encoding the flows for different kinds of information. We proposed an efficient heuristic algorithm of the network coding-based adaptive routing and layered graph-based spectrum allocation algorithm (NCAR-LGSA). From the simulation results, NCAR-LGSA shows highly efficient performances in terms of the spectrum resources utilization under different network scenarios compared with the benchmark algorithms.

  15. Super-channel oriented routing, spectrum and core assignment under crosstalk limit in spatial division multiplexing elastic optical networks

    NASA Astrophysics Data System (ADS)

    Zhao, Yongli; Zhu, Ye; Wang, Chunhui; Yu, Xiaosong; Liu, Chuan; Liu, Binglin; Zhang, Jie

    2017-07-01

    With the capacity increasing in optical networks enabled by spatial division multiplexing (SDM) technology, spatial division multiplexing elastic optical networks (SDM-EONs) attract much attention from both academic and industry. Super-channel is an important type of service provisioning in SDM-EONs. This paper focuses on the issue of super-channel construction in SDM-EONs. Mixed super-channel oriented routing, spectrum and core assignment (MS-RSCA) algorithm is proposed in SDM-EONs considering inter-core crosstalk. Simulation results show that MS-RSCA can improve spectrum resource utilization and reduce blocking probability significantly compared with the baseline RSCA algorithms.

  16. Elasticity and photoelasticity relationships for polyethylene terephthalate fiber networks by molecular simulation

    NASA Astrophysics Data System (ADS)

    Nayak, Kapileswar; Das, Sushanta; Nanavati, Hemant

    2008-01-01

    We present a framework for the development of elasticity and photoelasticity relationships for polyethylene terephthalate fiber networks, incorporating aspects of the primary molecular structure. Semicrystalline polymeric fiber networks are modeled as sequentially arranged crystalline and amorphous regions. Rotational isomeric states-Monte Carlo simulations of amorphous chains of up to 360 bonds (degree of polymerization, DP =60), confined between and bridging infinite impenetrable crystalline walls, have been characterized by Ω, the probability density of the intercrystal separation h, and Δβ, the polarizability anisotropy. lnΩ and Δβ have been modeled as functions of h, yielding the chain deformation relationships. The development has been extended to the fiber network to yield the photoelasticity relationships. We execute our framework by fitting to experimental stress-elongation data and employing the single fitted parameter to directly predict the birefringence-elongation behavior, without any further fitting. Incorporating the effect of strain-induced crystallization into the framework makes it physically more meaningful and yields accurate predictions of the birefringence-elongation behavior.

  17. The molecular kink paradigm for rubber elasticity: Numerical simulations of explicit polyisoprene networks at low to moderate tensile strains

    NASA Astrophysics Data System (ADS)

    Hanson, David E.

    2011-08-01

    Based on recent molecular dynamics and ab initio simulations of small isoprene molecules, we propose a new ansatz for rubber elasticity. We envision a network chain as a series of independent molecular kinks, each comprised of a small number of backbone units, and the strain as being imposed along the contour of the chain. We treat chain extension in three distinct force regimes: (Ia) near zero strain, where we assume that the chain is extended within a well defined tube, with all of the kinks participating simultaneously as entropic elastic springs, (II) when the chain becomes sensibly straight, giving rise to a purely enthalpic stretching force (until bond rupture occurs) and, (Ib) a linear entropic regime, between regimes Ia and II, in which a force limit is imposed by tube deformation. In this intermediate regime, the molecular kinks are assumed to be gradually straightened until the chain becomes a series of straight segments between entanglements. We assume that there exists a tube deformation tension limit that is inversely proportional to the chain path tortuosity. Here we report the results of numerical simulations of explicit three-dimensional, periodic, polyisoprene networks, using these extension-only force models. At low strain, crosslink nodes are moved affinely, up to an arbitrary node force limit. Above this limit, non-affine motion of the nodes is allowed to relax unbalanced chain forces. Our simulation results are in good agreement with tensile stress vs. strain experiments.

  18. The molecular kink paradigm for rubber elasticity: numerical simulations of explicit polyisoprene networks at low to moderate tensile strains.

    PubMed

    Hanson, David E

    2011-08-07

    Based on recent molecular dynamics and ab initio simulations of small isoprene molecules, we propose a new ansatz for rubber elasticity. We envision a network chain as a series of independent molecular kinks, each comprised of a small number of backbone units, and the strain as being imposed along the contour of the chain. We treat chain extension in three distinct force regimes: (Ia) near zero strain, where we assume that the chain is extended within a well defined tube, with all of the kinks participating simultaneously as entropic elastic springs, (II) when the chain becomes sensibly straight, giving rise to a purely enthalpic stretching force (until bond rupture occurs) and, (Ib) a linear entropic regime, between regimes Ia and II, in which a force limit is imposed by tube deformation. In this intermediate regime, the molecular kinks are assumed to be gradually straightened until the chain becomes a series of straight segments between entanglements. We assume that there exists a tube deformation tension limit that is inversely proportional to the chain path tortuosity. Here we report the results of numerical simulations of explicit three-dimensional, periodic, polyisoprene networks, using these extension-only force models. At low strain, crosslink nodes are moved affinely, up to an arbitrary node force limit. Above this limit, non-affine motion of the nodes is allowed to relax unbalanced chain forces. Our simulation results are in good agreement with tensile stress vs. strain experiments.

  19. Virtual optical network mapping and core allocation in elastic optical networks using multi-core fibers

    NASA Astrophysics Data System (ADS)

    Xuan, Hejun; Wang, Yuping; Xu, Zhanqi; Hao, Shanshan; Wang, Xiaoli

    2017-11-01

    Virtualization technology can greatly improve the efficiency of the networks by allowing the virtual optical networks to share the resources of the physical networks. However, it will face some challenges, such as finding the efficient strategies for virtual nodes mapping, virtual links mapping and spectrum assignment. It is even more complex and challenging when the physical elastic optical networks using multi-core fibers. To tackle these challenges, we establish a constrained optimization model to determine the optimal schemes of optical network mapping, core allocation and spectrum assignment. To solve the model efficiently, tailor-made encoding scheme, crossover and mutation operators are designed. Based on these, an efficient genetic algorithm is proposed to obtain the optimal schemes of the virtual nodes mapping, virtual links mapping, core allocation. The simulation experiments are conducted on three widely used networks, and the experimental results show the effectiveness of the proposed model and algorithm.

  20. A self-organizing neural network for the traveling salesman problem that is competitive with simulated annealing.

    PubMed

    Budinich, M

    1996-02-15

    Unsupervised learning applied to an unstructured neural network can give approximate solutions to the traveling salesman problem. For 50 cities in the plane this algorithm performs like the elastic net of Durbin and Willshaw (1987) and it improves when increasing the number of cities to get better than simulated annealing for problems with more than 500 cities. In all the tests this algorithm requires a fraction of the time taken by simulated annealing.

  1. Reduced-Order Modeling for Flutter/LCO Using Recurrent Artificial Neural Network

    NASA Technical Reports Server (NTRS)

    Yao, Weigang; Liou, Meng-Sing

    2012-01-01

    The present study demonstrates the efficacy of a recurrent artificial neural network to provide a high fidelity time-dependent nonlinear reduced-order model (ROM) for flutter/limit-cycle oscillation (LCO) modeling. An artificial neural network is a relatively straightforward nonlinear method for modeling an input-output relationship from a set of known data, for which we use the radial basis function (RBF) with its parameters determined through a training process. The resulting RBF neural network, however, is only static and is not yet adequate for an application to problems of dynamic nature. The recurrent neural network method [1] is applied to construct a reduced order model resulting from a series of high-fidelity time-dependent data of aero-elastic simulations. Once the RBF neural network ROM is constructed properly, an accurate approximate solution can be obtained at a fraction of the cost of a full-order computation. The method derived during the study has been validated for predicting nonlinear aerodynamic forces in transonic flow and is capable of accurate flutter/LCO simulations. The obtained results indicate that the present recurrent RBF neural network is accurate and efficient for nonlinear aero-elastic system analysis

  2. Pulse wave propagation in a model human arterial network: Assessment of 1-D visco-elastic simulations against in vitro measurements.

    PubMed

    Alastruey, Jordi; Khir, Ashraf W; Matthys, Koen S; Segers, Patrick; Sherwin, Spencer J; Verdonck, Pascal R; Parker, Kim H; Peiró, Joaquim

    2011-08-11

    The accuracy of the nonlinear one-dimensional (1-D) equations of pressure and flow wave propagation in Voigt-type visco-elastic arteries was tested against measurements in a well-defined experimental 1:1 replica of the 37 largest conduit arteries in the human systemic circulation. The parameters required by the numerical algorithm were directly measured in the in vitro setup and no data fitting was involved. The inclusion of wall visco-elasticity in the numerical model reduced the underdamped high-frequency oscillations obtained using a purely elastic tube law, especially in peripheral vessels, which was previously reported in this paper [Matthys et al., 2007. Pulse wave propagation in a model human arterial network: Assessment of 1-D numerical simulations against in vitro measurements. J. Biomech. 40, 3476-3486]. In comparison to the purely elastic model, visco-elasticity significantly reduced the average relative root-mean-square errors between numerical and experimental waveforms over the 70 locations measured in the in vitro model: from 3.0% to 2.5% (p<0.012) for pressure and from 15.7% to 10.8% (p<0.002) for the flow rate. In the frequency domain, average relative errors between numerical and experimental amplitudes from the 5th to the 20th harmonic decreased from 0.7% to 0.5% (p<0.107) for pressure and from 7.0% to 3.3% (p<10(-6)) for the flow rate. These results provide additional support for the use of 1-D reduced modelling to accurately simulate clinically relevant problems at a reasonable computational cost. Copyright © 2011 Elsevier Ltd. All rights reserved.

  3. Conductive network formation of carbon nanotubes in elastic polymer microfibers and its effect on the electrical conductance: Experiment and simulation

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

    Cho, Hyun Woo; Kim, Jeongmin; Sung, Bong June, E-mail: jjpark@chonnam.ac.kr, E-mail: bjsung@sogang.ac.kr

    We investigate how the electrical conductance of microfibers (made of polymers and conductive nanofillers) decreases upon uniaxial deformation by performing both experiments and simulations. Even though various elastic conductors have been developed due to promising applications for deformable electronic devices, the mechanism at a molecular level for electrical conductance change has remained elusive. Previous studies proposed that the decrease in electrical conductance would result from changes in either distances or contact numbers between conductive fillers. In this work, we prepare microfibers of single walled carbon nanotubes (SWCNTs)/polyvinyl alcohol composites and investigate the electrical conductance and the orientation of SWCNTs uponmore » uniaxial deformation. We also perform extensive Monte Carlo simulations, which reproduce experimental results for the relative decrease in conductance and the SWCNTs orientation. We investigate the electrical networks of SWCNTs in microfibers and find that the decrease in the electrical conductance upon uniaxial deformation should be attributed to a subtle change in the topological structure of the electrical network.« less

  4. Prediction and validation of protein intermediate states from structurally rich ensembles and coarse-grained simulations

    NASA Astrophysics Data System (ADS)

    Orellana, Laura; Yoluk, Ozge; Carrillo, Oliver; Orozco, Modesto; Lindahl, Erik

    2016-08-01

    Protein conformational changes are at the heart of cell functions, from signalling to ion transport. However, the transient nature of the intermediates along transition pathways hampers their experimental detection, making the underlying mechanisms elusive. Here we retrieve dynamic information on the actual transition routes from principal component analysis (PCA) of structurally-rich ensembles and, in combination with coarse-grained simulations, explore the conformational landscapes of five well-studied proteins. Modelling them as elastic networks in a hybrid elastic-network Brownian dynamics simulation (eBDIMS), we generate trajectories connecting stable end-states that spontaneously sample the crystallographic motions, predicting the structures of known intermediates along the paths. We also show that the explored non-linear routes can delimit the lowest energy passages between end-states sampled by atomistic molecular dynamics. The integrative methodology presented here provides a powerful framework to extract and expand dynamic pathway information from the Protein Data Bank, as well as to validate sampling methods in general.

  5. Thermal fluctuations and elastic relaxation in the compressed exponential dynamics of colloidal gels

    NASA Astrophysics Data System (ADS)

    Bouzid, Mehdi; Colombo, Jader; Del Gado, Emanuela

    Colloidal gels belong to the class of amorphous systems, they are disordered elastic solids that can form at very low volume fraction, via aggregation into a rich variety of networks. They exhibit a slow relaxation process in the aging regime similar to the glassy dynamics. A wide range of experiments on colloidal gels show unusual compressed exponential of the relaxation dynamical properties. We use molecular dynamics simulation to investigate how the dynamic change with the age of the system. Upon breaking and reorganization of the network structure, the system may display stretched or compressed exponential relaxation. We show that the transition between these two regimes is associated to the interplay between thermally activated rearrangements and the elastic relaxation of internal stresses. In particular, ballistic-like displacements emerge from the non local relaxation of internal stresses mediated by a series of ''micro-collapses''. When thermal fluctuations dominate, the gel restructuring involves instead more homogeneous displacements across the heterogeneous gel network, leading to a stretched exponential type of relaxation.

  6. A mass weighted chemical elastic network model elucidates closed form domain motions in proteins

    PubMed Central

    Kim, Min Hyeok; Seo, Sangjae; Jeong, Jay Il; Kim, Bum Joon; Liu, Wing Kam; Lim, Byeong Soo; Choi, Jae Boong; Kim, Moon Ki

    2013-01-01

    An elastic network model (ENM), usually Cα coarse-grained one, has been widely used to study protein dynamics as an alternative to classical molecular dynamics simulation. This simple approach dramatically saves the computational cost, but sometimes fails to describe a feasible conformational change due to unrealistically excessive spring connections. To overcome this limitation, we propose a mass-weighted chemical elastic network model (MWCENM) in which the total mass of each residue is assumed to be concentrated on the representative alpha carbon atom and various stiffness values are precisely assigned according to the types of chemical interactions. We test MWCENM on several well-known proteins of which both closed and open conformations are available as well as three α-helix rich proteins. Their normal mode analysis reveals that MWCENM not only generates more plausible conformational changes, especially for closed forms of proteins, but also preserves protein secondary structures thus distinguishing MWCENM from traditional ENMs. In addition, MWCENM also reduces computational burden by using a more sparse stiffness matrix. PMID:23456820

  7. Hamiltonian replica exchange combined with elastic network analysis to enhance global domain motions in atomistic molecular dynamics simulations.

    PubMed

    Ostermeir, Katja; Zacharias, Martin

    2014-12-01

    Coarse-grained elastic network models (ENM) of proteins offer a low-resolution representation of protein dynamics and directions of global mobility. A Hamiltonian-replica exchange molecular dynamics (H-REMD) approach has been developed that combines information extracted from an ENM analysis with atomistic explicit solvent MD simulations. Based on a set of centers representing rigid segments (centroids) of a protein, a distance-dependent biasing potential is constructed by means of an ENM analysis to promote and guide centroid/domain rearrangements. The biasing potentials are added with different magnitude to the force field description of the MD simulation along the replicas with one reference replica under the control of the original force field. The magnitude and the form of the biasing potentials are adapted during the simulation based on the average sampled conformation to reach a near constant biasing in each replica after equilibration. This allows for canonical sampling of conformational states in each replica. The application of the methodology to a two-domain segment of the glycoprotein 130 and to the protein cyanovirin-N indicates significantly enhanced global domain motions and improved conformational sampling compared with conventional MD simulations. © 2014 Wiley Periodicals, Inc.

  8. Modeling and simulation of different and representative engineering problems using Network Simulation Method

    PubMed Central

    2018-01-01

    Mathematical models simulating different and representative engineering problem, atomic dry friction, the moving front problems and elastic and solid mechanics are presented in the form of a set of non-linear, coupled or not coupled differential equations. For different parameters values that influence the solution, the problem is numerically solved by the network method, which provides all the variables of the problems. Although the model is extremely sensitive to the above parameters, no assumptions are considered as regards the linearization of the variables. The design of the models, which are run on standard electrical circuit simulation software, is explained in detail. The network model results are compared with common numerical methods or experimental data, published in the scientific literature, to show the reliability of the model. PMID:29518121

  9. Modeling and simulation of different and representative engineering problems using Network Simulation Method.

    PubMed

    Sánchez-Pérez, J F; Marín, F; Morales, J L; Cánovas, M; Alhama, F

    2018-01-01

    Mathematical models simulating different and representative engineering problem, atomic dry friction, the moving front problems and elastic and solid mechanics are presented in the form of a set of non-linear, coupled or not coupled differential equations. For different parameters values that influence the solution, the problem is numerically solved by the network method, which provides all the variables of the problems. Although the model is extremely sensitive to the above parameters, no assumptions are considered as regards the linearization of the variables. The design of the models, which are run on standard electrical circuit simulation software, is explained in detail. The network model results are compared with common numerical methods or experimental data, published in the scientific literature, to show the reliability of the model.

  10. Simulation of Blast Loading on an Ultrastructurally-based Computational Model of the Ocular Lens

    DTIC Science & Technology

    2016-12-01

    organelles. Additionally, the cell membranes demonstrated the classic ball-and-socket loops . For the SEM images, they were placed in two fixatives and mounted...considered (fibrous network and matrix), both components are modelled using a hyper - elastic framework, and the resulting constitutive model is embedded in a...within the framework of hyper - elasticity). Full details on the linearization procedures that were adopted in these previous models or the convergence

  11. A neural-network-based model for the dynamic simulation of the tire/suspension system while traversing road irregularities.

    PubMed

    Guarneri, Paolo; Rocca, Gianpiero; Gobbi, Massimiliano

    2008-09-01

    This paper deals with the simulation of the tire/suspension dynamics by using recurrent neural networks (RNNs). RNNs are derived from the multilayer feedforward neural networks, by adding feedback connections between output and input layers. The optimal network architecture derives from a parametric analysis based on the optimal tradeoff between network accuracy and size. The neural network can be trained with experimental data obtained in the laboratory from simulated road profiles (cleats). The results obtained from the neural network demonstrate good agreement with the experimental results over a wide range of operation conditions. The NN model can be effectively applied as a part of vehicle system model to accurately predict elastic bushings and tire dynamics behavior. Although the neural network model, as a black-box model, does not provide a good insight of the physical behavior of the tire/suspension system, it is a useful tool for assessing vehicle ride and noise, vibration, harshness (NVH) performance due to its good computational efficiency and accuracy.

  12. Eavesdropping-aware routing and spectrum allocation based on multi-flow virtual concatenation for confidential information service in elastic optical networks

    NASA Astrophysics Data System (ADS)

    Bai, Wei; Yang, Hui; Yu, Ao; Xiao, Hongyun; He, Linkuan; Feng, Lei; Zhang, Jie

    2018-01-01

    The leakage of confidential information is one of important issues in the network security area. Elastic Optical Networks (EON) as a promising technology in the optical transport network is under threat from eavesdropping attacks. It is a great demand to support confidential information service (CIS) and design efficient security strategy against the eavesdropping attacks. In this paper, we propose a solution to cope with the eavesdropping attacks in routing and spectrum allocation. Firstly, we introduce probability theory to describe eavesdropping issue and achieve awareness of eavesdropping attacks. Then we propose an eavesdropping-aware routing and spectrum allocation (ES-RSA) algorithm to guarantee information security. For further improving security and network performance, we employ multi-flow virtual concatenation (MFVC) and propose an eavesdropping-aware MFVC-based secure routing and spectrum allocation (MES-RSA) algorithm. The presented simulation results show that the proposed two RSA algorithms can both achieve greater security against the eavesdropping attacks and MES-RSA can also improve the network performance efficiently.

  13. Benefit of adaptive FEC in shared backup path protected elastic optical network.

    PubMed

    Guo, Hong; Dai, Hua; Wang, Chao; Li, Yongcheng; Bose, Sanjay K; Shen, Gangxiang

    2015-07-27

    We apply an adaptive forward error correction (FEC) allocation strategy to an Elastic Optical Network (EON) operated with shared backup path protection (SBPP). To maximize the protected network capacity that can be carried, an Integer Linear Programing (ILP) model and a spectrum window plane (SWP)-based heuristic algorithm are developed. Simulation results show that the FEC coding overhead required by the adaptive FEC scheme is significantly lower than that needed by a fixed FEC allocation strategy resulting in higher network capacity for the adaptive strategy. The adaptive FEC allocation strategy can also significantly outperform the fixed FEC allocation strategy both in terms of the spare capacity redundancy and the average FEC coding overhead needed per optical channel. The proposed heuristic algorithm is efficient and not only performs closer to the ILP model but also does much better than the shortest-path algorithm.

  14. Dynamic virtual optical network embedding in spectral and spatial domains over elastic optical networks with multicore fibers

    NASA Astrophysics Data System (ADS)

    Zhu, Ruijie; Zhao, Yongli; Yang, Hui; Tan, Yuanlong; Chen, Haoran; Zhang, Jie; Jue, Jason P.

    2016-08-01

    Network virtualization can eradicate the ossification of the infrastructure and stimulate innovation of new network architectures and applications. Elastic optical networks (EONs) are ideal substrate networks for provisioning flexible virtual optical network (VON) services. However, as network traffic continues to increase exponentially, the capacity of EONs will reach the physical limitation soon. To further increase network flexibility and capacity, the concept of EONs is extended into the spatial domain. How to map the VON onto substrate networks by thoroughly using the spectral and spatial resources is extremely important. This process is called VON embedding (VONE).Considering the two kinds of resources at the same time during the embedding process, we propose two VONE algorithms, the adjacent link embedding algorithm (ALEA) and the remote link embedding algorithm (RLEA). First, we introduce a model to solve the VONE problem. Then we design the embedding ability measurement of network elements. Based on the network elements' embedding ability, two VONE algorithms were proposed. Simulation results show that the proposed VONE algorithms could achieve better performance than the baseline algorithm in terms of blocking probability and revenue-to-cost ratio.

  15. Modeling of Hydraulic Fracture Propagation at the kISMET Site Using a Fully Coupled 3D Network-Flow and Quasi- Static Discrete Element Model

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

    Zhou, Jing; Huang, Hai; Mattson, Earl

    Aimed at supporting the design of hydraulic fracturing experiments at the kISMET site, ~1500 m below ground in a deep mine, we performed pre-experimental hydraulic fracturing simulations in order to estimate the breakdown pressure, propagation pressure, fracture geometry, and the magnitude of induced seismicity using a newly developed fully coupled three-dimensional (3D) network flow and quasi-static discrete element model (DEM). The quasi-static DEM model, which is constructed by Delaunay tessellation of the rock volume, considers rock fabric heterogeneities by using the “disordered” DEM mesh and adding random perturbations to the stiffness and tensile/shear strengths of individual DEM elements and themore » elastic beams between them. A conjugate 3D flow network based on the DEM lattice is constructed to calculate the fluid flow in both the fracture and porous matrix. One distinctive advantage of the model is that fracturing is naturally described by the breakage of elastic beams between DEM elements. It is also extremely convenient to introduce mechanical anisotropy into the model by simply assigning orientation-dependent tensile/shear strengths to the elastic beams. In this paper, the 3D hydraulic fracturing model was verified against the analytic solution for a penny-shaped crack model. We applied the model to simulate fracture propagation from a vertical open borehole based on initial estimates of rock mechanical properties and in-situ stress conditions. The breakdown pressure and propagation pressure are directly obtained from the simulation. In addition, the released elastic strain energies of individual fracturing events were calculated and used as a conservative estimate for the magnitudes of the potential induced seismic activities associated with fracturing. The comparisons between model predictions and experimental results are still ongoing.« less

  16. Elastic network model of learned maintained contacts to predict protein motion

    PubMed Central

    Putz, Ines

    2017-01-01

    We present a novel elastic network model, lmcENM, to determine protein motion even for localized functional motions that involve substantial changes in the protein’s contact topology. Existing elastic network models assume that the contact topology remains unchanged throughout the motion and are thus most appropriate to simulate highly collective function-related movements. lmcENM uses machine learning to differentiate breaking from maintained contacts. We show that lmcENM accurately captures functional transitions unexplained by the classical ENM and three reference ENM variants, while preserving the simplicity of classical ENM. We demonstrate the effectiveness of our approach on a large set of proteins covering different motion types. Our results suggest that accurately predicting a “deformation-invariant” contact topology offers a promising route to increase the general applicability of ENMs. We also find that to correctly predict this contact topology a combination of several features seems to be relevant which may vary slightly depending on the protein. Additionally, we present case studies of two biologically interesting systems, Ferric Citrate membrane transporter FecA and Arachidonate 15-Lipoxygenase. PMID:28854238

  17. New optimization model for routing and spectrum assignment with nodes insecurity

    NASA Astrophysics Data System (ADS)

    Xuan, Hejun; Wang, Yuping; Xu, Zhanqi; Hao, Shanshan; Wang, Xiaoli

    2017-04-01

    By adopting the orthogonal frequency division multiplexing technology, elastic optical networks can provide the flexible and variable bandwidth allocation to each connection request and get higher spectrum utilization. The routing and spectrum assignment problem in elastic optical network is a well-known NP-hard problem. In addition, information security has received worldwide attention. We combine these two problems to investigate the routing and spectrum assignment problem with the guaranteed security in elastic optical network, and establish a new optimization model to minimize the maximum index of the used frequency slots, which is used to determine an optimal routing and spectrum assignment schemes. To solve the model effectively, a hybrid genetic algorithm framework integrating a heuristic algorithm into a genetic algorithm is proposed. The heuristic algorithm is first used to sort the connection requests and then the genetic algorithm is designed to look for an optimal routing and spectrum assignment scheme. In the genetic algorithm, tailor-made crossover, mutation and local search operators are designed. Moreover, simulation experiments are conducted with three heuristic strategies, and the experimental results indicate that the effectiveness of the proposed model and algorithm framework.

  18. An auxiliary graph based dynamic traffic grooming algorithm in spatial division multiplexing enabled elastic optical networks with multi-core fibers

    NASA Astrophysics Data System (ADS)

    Zhao, Yongli; Tian, Rui; Yu, Xiaosong; Zhang, Jiawei; Zhang, Jie

    2017-03-01

    A proper traffic grooming strategy in dynamic optical networks can improve the utilization of bandwidth resources. An auxiliary graph (AG) is designed to solve the traffic grooming problem under a dynamic traffic scenario in spatial division multiplexing enabled elastic optical networks (SDM-EON) with multi-core fibers. Five traffic grooming policies achieved by adjusting the edge weights of an AG are proposed and evaluated through simulation: maximal electrical grooming (MEG), maximal optical grooming (MOG), maximal SDM grooming (MSG), minimize virtual hops (MVH), and minimize physical hops (MPH). Numeric results show that each traffic grooming policy has its own features. Among different traffic grooming policies, an MPH policy can achieve the lowest bandwidth blocking ratio, MEG can save the most transponders, and MSG can obtain the fewest cores for each request.

  19. An optimization method of VON mapping for energy efficiency and routing in elastic optical networks

    NASA Astrophysics Data System (ADS)

    Liu, Huanlin; Xiong, Cuilian; Chen, Yong; Li, Changping; Chen, Derun

    2018-03-01

    To improve resources utilization efficiency, network virtualization in elastic optical networks has been developed by sharing the same physical network for difference users and applications. In the process of virtual nodes mapping, longer paths between physical nodes will consume more spectrum resources and energy. To address the problem, we propose a virtual optical network mapping algorithm called genetic multi-objective optimize virtual optical network mapping algorithm (GM-OVONM-AL), which jointly optimizes the energy consumption and spectrum resources consumption in the process of virtual optical network mapping. Firstly, a vector function is proposed to balance the energy consumption and spectrum resources by optimizing population classification and crowding distance sorting. Then, an adaptive crossover operator based on hierarchical comparison is proposed to improve search ability and convergence speed. In addition, the principle of the survival of the fittest is introduced to select better individual according to the relationship of domination rank. Compared with the spectrum consecutiveness-opaque virtual optical network mapping-algorithm and baseline-opaque virtual optical network mapping algorithm, simulation results show the proposed GM-OVONM-AL can achieve the lowest bandwidth blocking probability and save the energy consumption.

  20. All-optical OXC transition strategy from WDM optical network to elastic optical network.

    PubMed

    Chen, Xin; Li, Juhao; Guo, Bingli; Zhu, Paikun; Tang, Ruizhi; Chen, Zhangyuan; He, Yongqi

    2016-02-22

    Elastic optical network (EON) has been proposed recently as a spectrum-efficient optical layer to adapt to rapidly-increasing traffic demands instead of current deployed wavelength-division-multiplexing (WDM) optical network. In contrast with conventional WDM optical cross-connect (OXCs) based on wavelength selective switches (WSSs), the EON OXCs are based on spectrum selective switches (SSSs) which are much more expensive than WSSs, especially for large-scale switching architectures. So the transition cost from WDM OXCs to EON OXCs is a major obstacle to realizing EON. In this paper, we propose and experimentally demonstrate a transition OXC (TOXC) structure based on 2-stage cascading switching architectures, which make full use of available WSSs in current deployed WDM OXCs to reduce number and port count of required SSSs. Moreover, we propose a contention-aware spectrum allocation (CASA) scheme for EON built with the proposed TOXCs. We show by simulation that the TOXCs reduce the network capital expenditure transiting from WDM optical network to EON about 50%, with a minor traffic blocking performance degradation and about 10% accommodated traffic number detriment compared with all-SSS EON OXC architectures.

  1. Form finding in elastic gridshells.

    PubMed

    Baek, Changyeob; Sageman-Furnas, Andrew O; Jawed, Mohammad K; Reis, Pedro M

    2018-01-02

    Elastic gridshells comprise an initially planar network of elastic rods that are actuated into a shell-like structure by loading their extremities. The resulting actuated form derives from the elastic buckling of the rods subjected to inextensibility. We study elastic gridshells with a focus on the rational design of the final shapes. Our precision desktop experiments exhibit complex geometries, even from seemingly simple initial configurations and actuation processes. The numerical simulations capture this nonintuitive behavior with excellent quantitative agreement, allowing for an exploration of parameter space that reveals multistable states. We then turn to the theory of smooth Chebyshev nets to address the inverse design of hemispherical elastic gridshells. The results suggest that rod inextensibility, not elastic response, dictates the zeroth-order shape of an actuated elastic gridshell. As it turns out, this is the shape of a common household strainer. Therefore, the geometry of Chebyshev nets can be further used to understand elastic gridshells. In particular, we introduce a way to quantify the intrinsic shape of the empty, but enclosed regions, which we then use to rationalize the nonlocal deformation of elastic gridshells to point loading. This justifies the observed difficulty in form finding. Nevertheless, we close with an exploration of concatenating multiple elastic gridshell building blocks.

  2. Form finding in elastic gridshells

    NASA Astrophysics Data System (ADS)

    Baek, Changyeob; Sageman-Furnas, Andrew O.; Jawed, Mohammad K.; Reis, Pedro M.

    2018-01-01

    Elastic gridshells comprise an initially planar network of elastic rods that are actuated into a shell-like structure by loading their extremities. The resulting actuated form derives from the elastic buckling of the rods subjected to inextensibility. We study elastic gridshells with a focus on the rational design of the final shapes. Our precision desktop experiments exhibit complex geometries, even from seemingly simple initial configurations and actuation processes. The numerical simulations capture this nonintuitive behavior with excellent quantitative agreement, allowing for an exploration of parameter space that reveals multistable states. We then turn to the theory of smooth Chebyshev nets to address the inverse design of hemispherical elastic gridshells. The results suggest that rod inextensibility, not elastic response, dictates the zeroth-order shape of an actuated elastic gridshell. As it turns out, this is the shape of a common household strainer. Therefore, the geometry of Chebyshev nets can be further used to understand elastic gridshells. In particular, we introduce a way to quantify the intrinsic shape of the empty, but enclosed regions, which we then use to rationalize the nonlocal deformation of elastic gridshells to point loading. This justifies the observed difficulty in form finding. Nevertheless, we close with an exploration of concatenating multiple elastic gridshell building blocks.

  3. Intelligent neural network and fuzzy logic control of industrial and power systems

    NASA Astrophysics Data System (ADS)

    Kuljaca, Ognjen

    The main role played by neural network and fuzzy logic intelligent control algorithms today is to identify and compensate unknown nonlinear system dynamics. There are a number of methods developed, but often the stability analysis of neural network and fuzzy control systems was not provided. This work will meet those problems for the several algorithms. Some more complicated control algorithms included backstepping and adaptive critics will be designed. Nonlinear fuzzy control with nonadaptive fuzzy controllers is also analyzed. An experimental method for determining describing function of SISO fuzzy controller is given. The adaptive neural network tracking controller for an autonomous underwater vehicle is analyzed. A novel stability proof is provided. The implementation of the backstepping neural network controller for the coupled motor drives is described. Analysis and synthesis of adaptive critic neural network control is also provided in the work. Novel tuning laws for the system with action generating neural network and adaptive fuzzy critic are given. Stability proofs are derived for all those control methods. It is shown how these control algorithms and approaches can be used in practical engineering control. Stability proofs are given. Adaptive fuzzy logic control is analyzed. Simulation study is conducted to analyze the behavior of the adaptive fuzzy system on the different environment changes. A novel stability proof for adaptive fuzzy logic systems is given. Also, adaptive elastic fuzzy logic control architecture is described and analyzed. A novel membership function is used for elastic fuzzy logic system. The stability proof is proffered. Adaptive elastic fuzzy logic control is compared with the adaptive nonelastic fuzzy logic control. The work described in this dissertation serves as foundation on which analysis of particular representative industrial systems will be conducted. Also, it gives a good starting point for analysis of learning abilities of adaptive and neural network control systems, as well as for the analysis of the different algorithms such as elastic fuzzy systems.

  4. In Silico Reconstitution of Actin-Based Symmetry Breaking and Motility

    PubMed Central

    Dayel, Mark J.; Akin, Orkun; Landeryou, Mark; Risca, Viviana; Mogilner, Alex; Mullins, R. Dyche

    2009-01-01

    Eukaryotic cells assemble viscoelastic networks of crosslinked actin filaments to control their shape, mechanical properties, and motility. One important class of actin network is nucleated by the Arp2/3 complex and drives both membrane protrusion at the leading edge of motile cells and intracellular motility of pathogens such as Listeria monocytogenes. These networks can be reconstituted in vitro from purified components to drive the motility of spherical micron-sized beads. An Elastic Gel model has been successful in explaining how these networks break symmetry, but how they produce directed motile force has been less clear. We have combined numerical simulations with in vitro experiments to reconstitute the behavior of these motile actin networks in silico using an Accumulative Particle-Spring (APS) model that builds on the Elastic Gel model, and demonstrates simple intuitive mechanisms for both symmetry breaking and sustained motility. The APS model explains observed transitions between smooth and pulsatile motion as well as subtle variations in network architecture caused by differences in geometry and conditions. Our findings also explain sideways symmetry breaking and motility of elongated beads, and show that elastic recoil, though important for symmetry breaking and pulsatile motion, is not necessary for smooth directional motility. The APS model demonstrates how a small number of viscoelastic network parameters and construction rules suffice to recapture the complex behavior of motile actin networks. The fact that the model not only mirrors our in vitro observations, but also makes novel predictions that we confirm by experiment, suggests that the model captures much of the essence of actin-based motility in this system. PMID:19771152

  5. Stepwise Elastic Behavior in a Model Elastomer

    NASA Astrophysics Data System (ADS)

    Bhawe, Dhananjay M.; Cohen, Claude; Escobedo, Fernando A.

    2004-12-01

    MonteCarlo simulations of an entanglement-free cross-linked polymer network of semiflexible chains reveal a peculiar stepwise elastic response. For increasing stress, step jumps in strain are observed that do not correlate with changes in the number of aligned chains. We show that this unusual behavior stems from the ability of the system to form multiple ordered chain domains that exclude the cross-linking species. This novel elastomer shows a toughening behavior similar to that observed in biological structural materials, such as muscle proteins and abalone shell adhesive.

  6. Yielding in a strongly aggregated colloidal gel: 2D simulations and theory

    NASA Astrophysics Data System (ADS)

    Roy, Saikat; Tirumkudulu, Mahesh

    2015-11-01

    We investigated the micro-structural details and the mechanical response under uniaxial compression of the strongly aggregating gel starting from low to high packing fraction.The numerical simulations account for short-range inter-particle attractions, normal and tangential deformation at particle contacts,sliding and rolling friction, and preparation history. It is observed that in the absence of rolling resistance(RR),the average coordination number varies only slightly with compaction whereas it is significant in the presence of RR. The particle contact distribution is isotropic throughout the consolidation process. In both cases, the yield strain is constant with the volume fraction. The modulus values are very similar at different attraction, and with and without RR implying that the elastic modulus does not scale with attraction.The modulus was found to be a weak function of the preparation history. The increase in yield stress with volume fraction is a consequence of the increased elastic modulus of the network. However, the yield stress scales similarly both with and without RR. The power law exponent of 5.4 is in good agreement with previous simulation results. A micromechanical theory is also proposed to describe the stress versus strain relation for the gelled network.

  7. Evolution of a fracture network in an elastic medium with internal fluid generation and expulsion

    NASA Astrophysics Data System (ADS)

    Kobchenko, Maya; Hafver, Andreas; Jettestuen, Espen; Renard, François; Galland, Olivier; Jamtveit, Bjørn; Meakin, Paul; Dysthe, Dag Kristian

    2014-11-01

    A simple and reproducible analog experiment was used to simulate fracture formation in a low-permeability elastic solid during internal fluid/gas production, with the objective of developing a better understanding of the mechanisms that control the dynamics of fracturing, fracture opening and closing, and fluid transport. In the experiment, nucleation, propagation, and coalescence of fractures within an elastic gelatin matrix, confined in a Hele-Shaw cell, occurred due to CO2 production via fermentation of sugar, and it was monitored by optical means. We first quantified how a fracture network develops, and then how intermittent fluid transport is controlled by the dynamics of opening and closing of fractures. The gas escape dynamics exhibited three characteristic behaviors: (1) Quasiperiodic release of gas with a characteristic frequency that depends on the gas production rate but not on the system size. (2) A 1 /f power spectrum for the fluctuations in the total open fracture area over an intermediate range of frequencies (f ), which we attribute to collective effects caused by interaction between fractures in the drainage network. (3) A 1 /f2 power spectrum was observed at high frequencies, which can be explained by the characteristic behavior of single fractures.

  8. Muon-Neutrino Electron Elastic Scattering and a Search for the Muon-Neutrino Magnetic Moment in the NOvA Near Detector

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

    Wang, Biao

    We use the NOvA near detector and the NuMI beam at Fermilab to study the neutrino- electron elastic scattering and the muon neutrino magnetic process beyond the Standard Model physics. The particle identications of neutrino on electron elastic scattering are trained by using the multi-layer neural networks. This thesis provides a general discussion of this technique and shows a good agreement between data and MC for the neutrino-electron elastic weak scattering. So that beneting from the precise cross-section of this channel, we are able to tune the neutrino beam ux simulation in the future. Giving the exposure of 3:62 1020more » POT in the NOvA near detector, we report 1:58 10« less

  9. Multicasting based optical inverse multiplexing in elastic optical network.

    PubMed

    Guo, Bingli; Xu, Yingying; Zhu, Paikun; Zhong, Yucheng; Chen, Yuanxiang; Li, Juhao; Chen, Zhangyuan; He, Yongqi

    2014-06-16

    Optical multicasting based inverse multiplexing (IM) is introduced in spectrum allocation of elastic optical network to resolve the spectrum fragmentation problem, where superchannels could be split and fit into several discrete spectrum blocks in the intermediate node. We experimentally demonstrate it with a 1-to-7 optical superchannel multicasting module and selecting/coupling components. Also, simulation results show that, comparing with several emerging spectrum defragmentation solutions (e.g., spectrum conversion, split spectrum), IM could reduce blocking performance significantly but without adding too much system complexity as split spectrum. On the other hand, service fairness for traffic with different granularity of these schemes is investigated for the first time and it shows that IM performs better than spectrum conversion and almost as well as split spectrum, especially for smaller size traffic under light traffic intensity.

  10. Performance evaluation of time-aware enhanced software defined networking (TeSDN) for elastic data center optical interconnection.

    PubMed

    Yang, Hui; Zhang, Jie; Zhao, Yongli; Ji, Yuefeng; Li, Hui; Lin, Yi; Li, Gang; Han, Jianrui; Lee, Young; Ma, Teng

    2014-07-28

    Data center interconnection with elastic optical networks is a promising scenario to meet the high burstiness and high-bandwidth requirements of data center services. We previously implemented enhanced software defined networking over elastic optical network for data center application [Opt. Express 21, 26990 (2013)]. On the basis of it, this study extends to consider the time-aware data center service scheduling with elastic service time and service bandwidth according to the various time sensitivity requirements. A novel time-aware enhanced software defined networking (TeSDN) architecture for elastic data center optical interconnection has been proposed in this paper, by introducing a time-aware resources scheduling (TaRS) scheme. The TeSDN can accommodate the data center services with required QoS considering the time dimensionality, and enhance cross stratum optimization of application and elastic optical network stratums resources based on spectrum elasticity, application elasticity and time elasticity. The overall feasibility and efficiency of the proposed architecture is experimentally verified on our OpenFlow-based testbed. The performance of TaRS scheme under heavy traffic load scenario is also quantitatively evaluated based on TeSDN architecture in terms of blocking probability and resource occupation rate.

  11. Resistance to alveolar shape change limits range of force propagation in lung parenchyma.

    PubMed

    Ma, Baoshun; Smith, Bradford J; Bates, Jason H T

    2015-06-01

    We have recently shown that if the lung parenchyma is modeled in 2 dimensions as a network of springs arranged in a pattern of repeating hexagonal cells, the distortional forces around a contracting airway propagate much further from the airway wall than classic continuum theory predicts. In the present study we tested the hypothesis that this occurs because of the negligible shear modulus of a hexagonal spring network. We simulated the narrowing of an airway embedded in a hexagonal network of elastic alveolar walls when the hexagonal cells of the network offered some resistance to a change in shape. We found that as the forces resisting shape change approach about 10% of the forces resisting length change of an individual spring the range of distortional force propagation in the spring network fell of rapidly as in an elastic continuum. We repeated these investigations in a 3-dimensional spring network composed of space-filling polyhedral cells and found similar results. This suggests that force propagation away from a point of local parenchymal distortion also falls off rapidly in real lung tissue. Copyright © 2015 Elsevier B.V. All rights reserved.

  12. Low-complexity and modulation-format-independent carrier phase estimation scheme using linear approximation for elastic optical networks

    NASA Astrophysics Data System (ADS)

    Yang, Tao; Chen, Xue; Shi, Sheping; Sun, Erkun; Shi, Chen

    2018-03-01

    We propose a low-complexity and modulation-format-independent carrier phase estimation (CPE) scheme based on two-stage modified blind phase search (MBPS) with linear approximation to compensate the phase noise of arbitrary m-ary quadrature amplitude modulation (m-QAM) signals in elastic optical networks (EONs). Comprehensive numerical simulations are carried out in the case that the highest possible modulation format in EONs is 256-QAM. The simulation results not only verify its advantages of higher estimation accuracy and modulation-format independence, i.e., universality, but also demonstrate that the implementation complexity is significantly reduced by at least one-fourth in comparison with the traditional BPS scheme. In addition, the proposed scheme shows similar laser linewidth tolerance with the traditional BPS scheme. The slightly better OSNR performance of the scheme is also experimentally validated for PM-QPSK and PM-16QAM systems, respectively. The coexistent advantages of low-complexity and modulation-format-independence could make the proposed scheme an attractive candidate for flexible receiver-side DSP unit in EONs.

  13. Multiscale simulations of PS-SiO2 nanocomposites: from melt to glassy state.

    PubMed

    Mathioudakis, I G; Vogiatzis, G G; Tzoumanekas, C; Theodorou, D N

    2016-09-28

    The interaction energetics, molecular packing, entanglement network properties, segmental dynamics, and elastic constants of atactic polystyrene-amorphous silica nanocomposites in the molten and the glassy state are studied via molecular simulations using two interconnected levels of representation: (a) a coarse-grained one, wherein each polystyrene repeat unit is mapped onto a single "superatom" and the silica nanoparticle is viewed as a solid sphere. Equilibration at all length scales at this level is achieved via connectivity-altering Monte Carlo simulations. (b) A united-atom (UA) level, wherein the polymer chains are represented in terms of a united-atom forcefield and the silica nanoparticle is represented in terms of a simplified, fully atomistic model. Initial configurations for UA molecular dynamics (MD) simulations are obtained by reverse mapping well-equilibrated coarse-grained configurations. By analysing microcanonical UA MD trajectories, the polymer density profile is studied and the polymer is found to exhibit layering in the vicinity of the nanoparticle surface. An estimate of the enthalpy of mixing between polymer and nanoparticles, derived from the UA simulations, compares favourably against available experimental values. The dynamical behaviour of polystyrene (in neat and filled melt systems) is characterized in terms of bond orientation and dihedral angle time autocorrelation functions. At low concentration in the molten polymer matrix, silica nanoparticles are found to cause a slight deceleration of the segmental dynamics close to their surface compared to the bulk polymer. Well-equilibrated coarse-grained long-chain configurations are reduced to entanglement networks via topological analysis with the CReTA algorithm, yielding a slightly lower density of entanglements in the filled than in the neat systems. UA melt configurations are glassified by MD cooling. The elastic moduli of the resulting glassy nanocomposites are computed through an analysis of strain fluctuations in the undeformed state and through explicit mechanical deformation by MD, showing a stiffening of the polymer in the presence of nanoparticles. UA simulation results for the elastic constants are compared to continuum micromechanical calculations invoked in homogenization models of the overall mechanical behaviour of heterogeneous materials. They can be interpreted in terms of the presence of an "interphase" of approximate thickness 2 nm around the nanoparticles, with elastic constants intermediate between those of the filler and the matrix.

  14. Non-affine deformations in polymer hydrogels

    PubMed Central

    Wen, Qi; Basu, Anindita; Janmey, Paul A.; Yodh, A. G.

    2012-01-01

    Most theories of soft matter elasticity assume that the local strain in a sample after deformation is identical everywhere and equal to the macroscopic strain, or equivalently that the deformation is affine. We discuss the elasticity of hydrogels of crosslinked polymers with special attention to affine and non-affine theories of elasticity. Experimental procedures to measure non-affine deformations are also described. Entropic theories, which account for gel elasticity based on stretching out individual polymer chains, predict affine deformations. In contrast, simulations of network deformation that result in bending of the stiff constituent filaments generally predict non-affine behavior. Results from experiments show significant non-affine deformation in hydrogels even when they are formed by flexible polymers for which bending would appear to be negligible compared to stretching. However, this finding is not necessarily an experimental proof of the non-affine model for elasticity. We emphasize the insights gained from experiments using confocal rheoscope and show that, in addition to filament bending, sample micro-inhomogeneity can be a significant alternative source of non-affine deformation. PMID:23002395

  15. An Open-Source Toolbox for Surrogate Modeling of Joint Contact Mechanics

    PubMed Central

    Eskinazi, Ilan

    2016-01-01

    Goal Incorporation of elastic joint contact models into simulations of human movement could facilitate studying the interactions between muscles, ligaments, and bones. Unfortunately, elastic joint contact models are often too expensive computationally to be used within iterative simulation frameworks. This limitation can be overcome by using fast and accurate surrogate contact models that fit or interpolate input-output data sampled from existing elastic contact models. However, construction of surrogate contact models remains an arduous task. The aim of this paper is to introduce an open-source program called Surrogate Contact Modeling Toolbox (SCMT) that facilitates surrogate contact model creation, evaluation, and use. Methods SCMT interacts with the third party software FEBio to perform elastic contact analyses of finite element models and uses Matlab to train neural networks that fit the input-output contact data. SCMT features sample point generation for multiple domains, automated sampling, sample point filtering, and surrogate model training and testing. Results An overview of the software is presented along with two example applications. The first example demonstrates creation of surrogate contact models of artificial tibiofemoral and patellofemoral joints and evaluates their computational speed and accuracy, while the second demonstrates the use of surrogate contact models in a forward dynamic simulation of an open-chain leg extension-flexion motion. Conclusion SCMT facilitates the creation of computationally fast and accurate surrogate contact models. Additionally, it serves as a bridge between FEBio and OpenSim musculoskeletal modeling software. Significance Researchers may now create and deploy surrogate models of elastic joint contact with minimal effort. PMID:26186761

  16. 3D printing of an interpenetrating network hydrogel material with tunable viscoelastic properties.

    PubMed

    Bootsma, Katherine; Fitzgerald, Martha M; Free, Brandon; Dimbath, Elizabeth; Conjerti, Joe; Reese, Greg; Konkolewicz, Dominik; Berberich, Jason A; Sparks, Jessica L

    2017-06-01

    Interpenetrating network (IPN) hydrogel materials are recognized for their unique mechanical properties. While IPN elasticity and toughness properties have been explored in previous studies, the factors that impact the time-dependent stress relaxation behavior of IPN materials are not well understood. Time-dependent (i.e. viscoelastic) mechanical behavior is a critical design parameter in the development of materials for a variety of applications, such as medical simulation devices, flexible substrate materials, cellular mechanobiology substrates, or regenerative medicine applications. This study reports a novel technique for 3D printing alginate-polyacrylamide IPN gels with tunable elastic and viscoelastic properties. The viscoelastic stress relaxation behavior of the 3D printed alginate-polyacrylamide IPN hydrogels was influenced most strongly by varying the concentration of the acrylamide cross-linker (MBAA), while the elastic modulus was affected most by varying the concentration of total monomer material. The material properties of our 3D printed IPN constructs were consistent with those reported in the biomechanics literature for soft tissues such as skeletal muscle, cardiac muscle, skin and subcutaneous tissue. Copyright © 2017 Elsevier Ltd. All rights reserved.

  17. Elastic Network Model of a Nuclear Transport Complex

    NASA Astrophysics Data System (ADS)

    Ryan, Patrick; Liu, Wing K.; Lee, Dockjin; Seo, Sangjae; Kim, Young-Jin; Kim, Moon K.

    2010-05-01

    The structure of Kap95p was obtained from the Protein Data Bank (www.pdb.org) and analyzed RanGTP plays an important role in both nuclear protein import and export cycles. In the nucleus, RanGTP releases macromolecular cargoes from importins and conversely facilitates cargo binding to exportins. Although the crystal structure of the nuclear import complex formed by importin Kap95p and RanGTP was recently identified, its molecular mechanism still remains unclear. To understand the relationship between structure and function of a nuclear transport complex, a structure-based mechanical model of Kap95p:RanGTP complex is introduced. In this model, a protein structure is simply modeled as an elastic network in which a set of coarse-grained point masses are connected by linear springs representing biochemical interactions at atomic level. Harmonic normal mode analysis (NMA) and anharmonic elastic network interpolation (ENI) are performed to predict the modes of vibrations and a feasible pathway between locked and unlocked conformations of Kap95p, respectively. Simulation results imply that the binding of RanGTP to Kap95p induces the release of the cargo in the nucleus as well as prevents any new cargo from attaching to the Kap95p:RanGTP complex.

  18. Heterogeneous mechanics of the mouse pulmonary arterial network.

    PubMed

    Lee, Pilhwa; Carlson, Brian E; Chesler, Naomi; Olufsen, Mette S; Qureshi, M Umar; Smith, Nicolas P; Sochi, Taha; Beard, Daniel A

    2016-10-01

    Individualized modeling and simulation of blood flow mechanics find applications in both animal research and patient care. Individual animal or patient models for blood vessel mechanics are based on combining measured vascular geometry with a fluid structure model coupling formulations describing dynamics of the fluid and mechanics of the wall. For example, one-dimensional fluid flow modeling requires a constitutive law relating vessel cross-sectional deformation to pressure in the lumen. To investigate means of identifying appropriate constitutive relationships, an automated segmentation algorithm was applied to micro-computerized tomography images from a mouse lung obtained at four different static pressures to identify the static pressure-radius relationship for four generations of vessels in the pulmonary arterial network. A shape-fitting function was parameterized for each vessel in the network to characterize the nonlinear and heterogeneous nature of vessel distensibility in the pulmonary arteries. These data on morphometric and mechanical properties were used to simulate pressure and flow velocity propagation in the network using one-dimensional representations of fluid and vessel wall mechanics. Moreover, wave intensity analysis was used to study effects of wall mechanics on generation and propagation of pressure wave reflections. Simulations were conducted to investigate the role of linear versus nonlinear formulations of wall elasticity and homogeneous versus heterogeneous treatments of vessel wall properties. Accounting for heterogeneity, by parameterizing the pressure/distention equation of state individually for each vessel segment, was found to have little effect on the predicted pressure profiles and wave propagation compared to a homogeneous parameterization based on average behavior. However, substantially different results were obtained using a linear elastic thin-shell model than were obtained using a nonlinear model that has a more physiologically realistic pressure versus radius relationship.

  19. Multiscale approach including microfibril scale to assess elastic constants of cortical bone based on neural network computation and homogenization method.

    PubMed

    Barkaoui, Abdelwahed; Chamekh, Abdessalem; Merzouki, Tarek; Hambli, Ridha; Mkaddem, Ali

    2014-03-01

    The complexity and heterogeneity of bone tissue require a multiscale modeling to understand its mechanical behavior and its remodeling mechanisms. In this paper, a novel multiscale hierarchical approach including microfibril scale based on hybrid neural network (NN) computation and homogenization equations was developed to link nanoscopic and macroscopic scales to estimate the elastic properties of human cortical bone. The multiscale model is divided into three main phases: (i) in step 0, the elastic constants of collagen-water and mineral-water composites are calculated by averaging the upper and lower Hill bounds; (ii) in step 1, the elastic properties of the collagen microfibril are computed using a trained NN simulation. Finite element calculation is performed at nanoscopic levels to provide a database to train an in-house NN program; and (iii) in steps 2-10 from fibril to continuum cortical bone tissue, homogenization equations are used to perform the computation at the higher scales. The NN outputs (elastic properties of the microfibril) are used as inputs for the homogenization computation to determine the properties of mineralized collagen fibril. The mechanical and geometrical properties of bone constituents (mineral, collagen, and cross-links) as well as the porosity were taken in consideration. This paper aims to predict analytically the effective elastic constants of cortical bone by modeling its elastic response at these different scales, ranging from the nanostructural to mesostructural levels. Our findings of the lowest scale's output were well integrated with the other higher levels and serve as inputs for the next higher scale modeling. Good agreement was obtained between our predicted results and literature data. Copyright © 2013 John Wiley & Sons, Ltd.

  20. The TensorMol-0.1 model chemistry: a neural network augmented with long-range physics.

    PubMed

    Yao, Kun; Herr, John E; Toth, David W; Mckintyre, Ryker; Parkhill, John

    2018-02-28

    Traditional force fields cannot model chemical reactivity, and suffer from low generality without re-fitting. Neural network potentials promise to address these problems, offering energies and forces with near ab initio accuracy at low cost. However a data-driven approach is naturally inefficient for long-range interatomic forces that have simple physical formulas. In this manuscript we construct a hybrid model chemistry consisting of a nearsighted neural network potential with screened long-range electrostatic and van der Waals physics. This trained potential, simply dubbed "TensorMol-0.1", is offered in an open-source Python package capable of many of the simulation types commonly used to study chemistry: geometry optimizations, harmonic spectra, open or periodic molecular dynamics, Monte Carlo, and nudged elastic band calculations. We describe the robustness and speed of the package, demonstrating its millihartree accuracy and scalability to tens-of-thousands of atoms on ordinary laptops. We demonstrate the performance of the model by reproducing vibrational spectra, and simulating the molecular dynamics of a protein. Our comparisons with electronic structure theory and experimental data demonstrate that neural network molecular dynamics is poised to become an important tool for molecular simulation, lowering the resource barrier to simulating chemistry.

  1. Coarse-graining of proteins based on elastic network models

    NASA Astrophysics Data System (ADS)

    Sinitskiy, Anton V.; Voth, Gregory A.

    2013-08-01

    To simulate molecular processes on biologically relevant length- and timescales, coarse-grained (CG) models of biomolecular systems with tens to even hundreds of residues per CG site are required. One possible way to build such models is explored in this article: an elastic network model (ENM) is employed to define the CG variables. Free energy surfaces are approximated by Taylor series, with the coefficients found by force-matching. CG potentials are shown to undergo renormalization due to roughness of the energy landscape and smoothing of it under coarse-graining. In the case study of hen egg-white lysozyme, the entropy factor is shown to be of critical importance for maintaining the native structure, and a relationship between the proposed ENM-mode-based CG models and traditional CG-bead-based models is discussed. The proposed approach uncovers the renormalizable character of CG models and offers new opportunities for automated and computationally efficient studies of complex free energy surfaces.

  2. Robustness Elasticity in Complex Networks

    PubMed Central

    Matisziw, Timothy C.; Grubesic, Tony H.; Guo, Junyu

    2012-01-01

    Network robustness refers to a network’s resilience to stress or damage. Given that most networks are inherently dynamic, with changing topology, loads, and operational states, their robustness is also likely subject to change. However, in most analyses of network structure, it is assumed that interaction among nodes has no effect on robustness. To investigate the hypothesis that network robustness is not sensitive or elastic to the level of interaction (or flow) among network nodes, this paper explores the impacts of network disruption, namely arc deletion, over a temporal sequence of observed nodal interactions for a large Internet backbone system. In particular, a mathematical programming approach is used to identify exact bounds on robustness to arc deletion for each epoch of nodal interaction. Elasticity of the identified bounds relative to the magnitude of arc deletion is assessed. Results indicate that system robustness can be highly elastic to spatial and temporal variations in nodal interactions within complex systems. Further, the presence of this elasticity provides evidence that a failure to account for nodal interaction can confound characterizations of complex networked systems. PMID:22808060

  3. Elastic deformation and failure in protein filament bundles: Atomistic simulations and coarse-grained modeling.

    PubMed

    Hammond, Nathan A; Kamm, Roger D

    2008-07-01

    The synthetic peptide RAD16-II has shown promise in tissue engineering and drug delivery. It has been studied as a vehicle for cell delivery and controlled release of IGF-1 to repair infarcted cardiac tissue, and as a scaffold to promote capillary formation for an in vitro model of angiogenesis. The structure of RAD16-II is hierarchical, with monomers forming long beta-sheets that pair together to form filaments; filaments form bundles approximately 30-60 nm in diameter; branching networks of filament bundles form macroscopic gels. We investigate the mechanics of shearing between the two beta-sheets constituting one filament, and between cohered filaments of RAD16-II. This shear loading is found in filament bundle bending or in tensile loading of fibers composed of partial-length filaments. Molecular dynamics simulations show that time to failure is a stochastic function of applied shear stress, and that for a given loading time behavior is elastic for sufficiently small shear loads. We propose a coarse-grained model based on Langevin dynamics that matches molecular dynamics results and facilities extending simulations in space and time. The model treats a filament as an elastic string of particles, each having potential energy that is a periodic function of its position relative to the neighboring filament. With insight from these simulations, we discuss strategies for strengthening RAD16-II and similar materials.

  4. Elastic contact mechanics: percolation of the contact area and fluid squeeze-out.

    PubMed

    Persson, B N J; Prodanov, N; Krick, B A; Rodriguez, N; Mulakaluri, N; Sawyer, W G; Mangiagalli, P

    2012-01-01

    The dynamics of fluid flow at the interface between elastic solids with rough surfaces depends sensitively on the area of real contact, in particular close to the percolation threshold, where an irregular network of narrow flow channels prevails. In this paper, numerical simulation and experimental results for the contact between elastic solids with isotropic and anisotropic surface roughness are compared with the predictions of a theory based on the Persson contact mechanics theory and the Bruggeman effective medium theory. The theory predictions are in good agreement with the experimental and numerical simulation results and the (small) deviation can be understood as a finite-size effect. The fluid squeeze-out at the interface between elastic solids with randomly rough surfaces is studied. We present results for such high contact pressures that the area of real contact percolates, giving rise to sealed-off domains with pressurized fluid at the interface. The theoretical predictions are compared to experimental data for a simple model system (a rubber block squeezed against a flat glass plate), and for prefilled syringes, where the rubber plunger stopper is lubricated by a high-viscosity silicon oil to ensure functionality of the delivery device. For the latter system we compare the breakloose (or static) friction, as a function of the time of stationary contact, to the theory prediction.

  5. The Elastic Behaviour of Sintered Metallic Fibre Networks: A Finite Element Study by Beam Theory

    PubMed Central

    Bosbach, Wolfram A.

    2015-01-01

    Background The finite element method has complimented research in the field of network mechanics in the past years in numerous studies about various materials. Numerical predictions and the planning efficiency of experimental procedures are two of the motivational aspects for these numerical studies. The widespread availability of high performance computing facilities has been the enabler for the simulation of sufficiently large systems. Objectives and Motivation In the present study, finite element models were built for sintered, metallic fibre networks and validated by previously published experimental stiffness measurements. The validated models were the basis for predictions about so far unknown properties. Materials and Methods The finite element models were built by transferring previously published skeletons of fibre networks into finite element models. Beam theory was applied as simplification method. Results and Conclusions The obtained material stiffness isn’t a constant but rather a function of variables such as sample size and boundary conditions. Beam theory offers an efficient finite element method for the simulated fibre networks. The experimental results can be approximated by the simulated systems. Two worthwhile aspects for future work will be the influence of size and shape and the mechanical interaction with matrix materials. PMID:26569603

  6. Data-Driven Modeling and Rendering of Force Responses from Elastic Tool Deformation

    PubMed Central

    Rakhmatov, Ruslan; Ogay, Tatyana; Jeon, Seokhee

    2018-01-01

    This article presents a new data-driven model design for rendering force responses from elastic tool deformation. The new design incorporates a six-dimensional input describing the initial position of the contact, as well as the state of the tool deformation. The input-output relationship of the model was represented by a radial basis functions network, which was optimized based on training data collected from real tool-surface contact. Since the input space of the model is represented in the local coordinate system of a tool, the model is independent of recording and rendering devices and can be easily deployed to an existing simulator. The model also supports complex interactions, such as self and multi-contact collisions. In order to assess the proposed data-driven model, we built a custom data acquisition setup and developed a proof-of-concept rendering simulator. The simulator was evaluated through numerical and psychophysical experiments with four different real tools. The numerical evaluation demonstrated the perceptual soundness of the proposed model, meanwhile the user study revealed the force feedback of the proposed simulator to be realistic. PMID:29342964

  7. A comparison between elastic network interpolation and MD simulation of 16S ribosomal RNA.

    PubMed

    Kim, Moon K; Li, Wen; Shapiro, Bruce A; Chirikjian, Gregory S

    2003-12-01

    In this paper a coarse-grained method called elastic network interpolation (ENI) is used to generate feasible transition pathways between two given conformations of the core central domain of 16S Ribosomal RNA (16S rRNA). The two given conformations are the extremes generated by a molecular dynamics (MD) simulation, which differ from each other by 10A in root-mean-square deviation (RMSD). It takes only several hours to build an ENI pathway on a 1.5GHz Pentium with 512 MB memory, while the MD takes several weeks on high-performance multi-processor servers such as the SGI ORIGIN 2000/2100. It is shown that multiple ENI pathways capture the essential anharmonic motions of millions of timesteps in a particular MD simulation. A coarse-grained normal mode analysis (NMA) is performed on each intermediate ENI conformation, and the lowest 1% of the normal modes (representing about 40 degrees of freedom (DOF)) are used to parameterize fluctuations. This combined ENI/NMA method captures all intermediate conformations in the MD run with 1.5A RMSD on average. In addition, if we restrict attention to the time interval of the MD run between the two extreme conformations, the RMSD between the closest ENI/NMA pathway and the MD results is about 1A. These results may serve as a paradigm for reduced-DOF dynamic simulations of large biological macromolecules as well as a method for the reduced-parameter interpretation of massive amounts of MD data.

  8. Periodic buckling of constrained cylindrical elastic shells

    NASA Astrophysics Data System (ADS)

    Marthelot, Joel; Brun, Pierre-Thomas; Lopez Jimenez, Francisco; Reis, Pedro M.

    We revisit the classic problem of buckling of a thin cylindrical elastic shell loaded either by pneumatic depressurization or axial compression. The control of the resulting dimpled pattern is achieved by using a concentric inner rigid mandrel that constrains and stabilizes the post-buckling response. Under axial compression, a regular lattice of diamond-like dimples appears sequentially on the surface of the shell to form a robust spatially extended periodic pattern. Under pressure loading, a periodic array of ridges facets the surface of the elastic cylindrical shell. The sharpness of these ridges can be readily varied and controlled through a single scalar parameter, the applied pressure. A combination of experiments, simulations and scaling analyses is used to rationalize the combined role of geometry and mechanics in the nucleation and evolution of the diamond-like dimples and ridges networks.

  9. Implementation of orthogonal frequency division multiplexing (OFDM) and advanced signal processing for elastic optical networking in accordance with networking and transmission constraints

    NASA Astrophysics Data System (ADS)

    Johnson, Stanley

    An increasing adoption of digital signal processing (DSP) in optical fiber telecommunication has brought to the fore several interesting DSP enabled modulation formats. One such format is orthogonal frequency division multiplexing (OFDM), which has seen great success in wireless and wired RF applications, and is being actively investigated by several research groups for use in optical fiber telecom. In this dissertation, I present three implementations of OFDM for elastic optical networking and distributed network control. The first is a field programmable gate array (FPGA) based real-time implementation of a version of OFDM conventionally known as intensity modulation and direct detection (IMDD) OFDM. I experimentally demonstrate the ability of this transmission system to dynamically adjust bandwidth and modulation format to meet networking constraints in an automated manner. To the best of my knowledge, this is the first real-time software defined networking (SDN) based control of an OFDM system. In the second OFDM implementation, I experimentally demonstrate a novel OFDM transmission scheme that supports both direct detection and coherent detection receivers simultaneously using the same OFDM transmitter. This interchangeable receiver solution enables a trade-off between bit rate and equipment cost in network deployment and upgrades. I show that the proposed transmission scheme can provide a receiver sensitivity improvement of up to 1.73 dB as compared to IMDD OFDM. I also present two novel polarization analyzer based detection schemes, and study their performance using experiment and simulation. In the third implementation, I present an OFDM pilot-tone based scheme for distributed network control. The first instance of an SDN-based OFDM elastic optical network with pilot-tone assisted distributed control is demonstrated. An improvement in spectral efficiency and a fast reconfiguration time of 30 ms have been achieved in this experiment. Finally, I experimentally demonstrate optical re-timing of a 10.7 Gb/s data stream utilizing the property of bound soliton pairs (or "soliton molecules") to relax to an equilibrium temporal separation after propagation through a nonlinear dispersion alternating fiber span. Pulses offset up to 16 ps from bit center are successfully re-timed. The optical re-timing scheme studied here is a good example of signal processing in the optical domain and such a technique can overcome the bandwidth bottleneck present in DSP. An enhanced version of this re-timing scheme is analyzed using numerical simulations.

  10. Computational Simulation of the Activation Cycle of Gα Subunit in the G Protein Cycle Using an Elastic Network Model

    PubMed Central

    Kim, Min Hyeok; Kim, Young Jin; Kim, Hee Ryung; Jeon, Tae-Joon; Choi, Jae Boong; Chung, Ka Young; Kim, Moon Ki

    2016-01-01

    Agonist-activated G protein-coupled receptors (GPCRs) interact with GDP-bound G protein heterotrimers (Gαβγ) promoting GDP/GTP exchange, which results in dissociation of Gα from the receptor and Gβγ. The GTPase activity of Gα hydrolyzes GTP to GDP, and the GDP-bound Gα interacts with Gβγ, forming a GDP-bound G protein heterotrimer. The G protein cycle is allosterically modulated by conformational changes of the Gα subunit. Although biochemical and biophysical methods have elucidated the structure and dynamics of Gα, the precise conformational mechanisms underlying the G protein cycle are not fully understood yet. Simulation methods could help to provide additional details to gain further insight into G protein signal transduction mechanisms. In this study, using the available X-ray crystal structures of Gα, we simulated the entire G protein cycle and described not only the steric features of the Gα structure, but also conformational changes at each step. Each reference structure in the G protein cycle was modeled as an elastic network model and subjected to normal mode analysis. Our simulation data suggests that activated receptors trigger conformational changes of the Gα subunit that are thermodynamically favorable for opening of the nucleotide-binding pocket and GDP release. Furthermore, the effects of GTP binding and hydrolysis on mobility changes of the C and N termini and switch regions are elucidated. In summary, our simulation results enabled us to provide detailed descriptions of the structural and dynamic features of the G protein cycle. PMID:27483005

  11. A Viscoelastic earthquake simulator with application to the San Francisco Bay region

    USGS Publications Warehouse

    Pollitz, Fred F.

    2009-01-01

    Earthquake simulation on synthetic fault networks carries great potential for characterizing the statistical patterns of earthquake occurrence. I present an earthquake simulator based on elastic dislocation theory. It accounts for the effects of interseismic tectonic loading, static stress steps at the time of earthquakes, and postearthquake stress readjustment through viscoelastic relaxation of the lower crust and mantle. Earthquake rupture initiation and termination are determined with a Coulomb failure stress criterion and the static cascade model. The simulator is applied to interacting multifault systems: one, a synthetic two-fault network, and the other, a fault network representative of the San Francisco Bay region. The faults are discretized both along strike and along dip and can accommodate both strike slip and dip slip. Stress and seismicity functions are evaluated over 30,000 yr trial time periods, resulting in a detailed statistical characterization of the fault systems. Seismicity functions such as the coefficient of variation and a- and b-values exhibit systematic patterns with respect to simple model parameters. This suggests that reliable estimation of the controlling parameters of an earthquake simulator is a prerequisite to the interpretation of its output in terms of seismic hazard.

  12. Elastic and thermal expansion asymmetry in dense molecular materials.

    PubMed

    Burg, Joseph A; Dauskardt, Reinhold H

    2016-09-01

    The elastic modulus and coefficient of thermal expansion are fundamental properties of elastically stiff molecular materials and are assumed to be the same (symmetric) under both tension and compression loading. We show that molecular materials can have a marked asymmetric elastic modulus and coefficient of thermal expansion that are inherently related to terminal chemical groups that limit molecular network connectivity. In compression, terminal groups sterically interact to stiffen the network, whereas in tension they interact less and disconnect the network. The existence of asymmetric elastic and thermal expansion behaviour has fundamental implications for computational approaches to molecular materials modelling and practical implications on the thermomechanical strains and associated elastic stresses. We develop a design space to control the degree of elastic asymmetry in molecular materials, a vital step towards understanding their integration into device technologies.

  13. Energy transport pathway in proteins: Insights from non-equilibrium molecular dynamics with elastic network model.

    PubMed

    Wang, Wei Bu; Liang, Yu; Zhang, Jing; Wu, Yi Dong; Du, Jian Jun; Li, Qi Ming; Zhu, Jian Zhuo; Su, Ji Guo

    2018-06-22

    Intra-molecular energy transport between distant functional sites plays important roles in allosterically regulating the biochemical activity of proteins. How to identify the specific intra-molecular signaling pathway from protein tertiary structure remains a challenging problem. In the present work, a non-equilibrium dynamics method based on the elastic network model (ENM) was proposed to simulate the energy propagation process and identify the specific signaling pathways within proteins. In this method, a given residue was perturbed and the propagation of energy was simulated by non-equilibrium dynamics in the normal modes space of ENM. After that, the simulation results were transformed from the normal modes space to the Cartesian coordinate space to identify the intra-protein energy transduction pathways. The proposed method was applied to myosin and the third PDZ domain (PDZ3) of PSD-95 as case studies. For myosin, two signaling pathways were identified, which mediate the energy transductions form the nucleotide binding site to the 50 kDa cleft and the converter subdomain, respectively. For PDZ3, one specific signaling pathway was identified, through which the intra-protein energy was transduced from ligand binding site to the distant opposite side of the protein. It is also found that comparing with the commonly used cross-correlation analysis method, the proposed method can identify the anisotropic energy transduction pathways more effectively.

  14. Impact of branching on the elasticity of actin networks

    PubMed Central

    Pujol, Thomas; du Roure, Olivia; Fermigier, Marc; Heuvingh, Julien

    2012-01-01

    Actin filaments play a fundamental role in cell mechanics: assembled into networks by a large number of partners, they ensure cell integrity, deformability, and migration. Here we focus on the mechanics of the dense branched network found at the leading edge of a crawling cell. We develop a new technique based on the dipolar attraction between magnetic colloids to measure mechanical properties of branched actin gels assembled around the colloids. This technique allows us to probe a large number of gels and, through the study of different networks, to access fundamental relationships between their microscopic structure and their mechanical properties. We show that the architecture does regulate the elasticity of the network: increasing both capping and branching concentrations strongly stiffens the networks. These effects occur at protein concentrations that can be regulated by the cell. In addition, the dependence of the elastic modulus on the filaments’ flexibility and on increasing internal stress has been studied. Our overall results point toward an elastic regime dominated by enthalpic rather than entropic deformations. This result strongly differs from the elasticity of diluted cross-linked actin networks and can be explained by the dense dendritic structure of lamellipodium-like networks. PMID:22689953

  15. Large computer simulations on elastic networks: Small eigenvalues and eigenvalue spectra of the Kirchhoff matrix

    NASA Astrophysics Data System (ADS)

    Shy, L. Y.; Eichinger, B. E.

    1989-05-01

    Computer simulations of the formation of trifunctional and tetrafunctional polydimethyl-siloxane networks that are crosslinked by condensation of telechelic chains with multifunctional crosslinking agents have been carried out on systems containing up to 1.05×106 chains. Eigenvalue spectra of Kirchhoff matrices for these networks have been evaluated at two levels of approximation: (1) inclusion of all midchain modes, and (2) suppression of midchain modes. By use of the recursion method of Haydock and Nex, we have been able to effectively diagonalize matrices with 730 498 rows and columns without actually constructing matrices of this size. The small eigenvalues have been computed by use of the Lanczos algorithm. We demonstrate the following results: (1) The smallest eigenvalues (with chain modes suppressed) vary as μ-2/3 for sufficiently large μ, where μ is the number of junctions in the network; (2) the eigenvalue spectra of the Kirchhoff matrices are well described by McKay's theory for random regular graphs in the range of the larger eigenvalues, but there are significant departures in the region of small eigenvalues where computed spectra have many more small eigenvalues than random regular graphs; (3) the smallest eigenvalues vary as n-1.78 where n is the number of Rouse beads in the chains that comprise the network. Computations are done for both monodisperse and polydisperse chain length distributions. Large eigenvalues associated with localized motion of the junctions are found as predicted by theory. The relationship between the small eigenvalues and the equilibrium modulus of elasticity is discussed, as is the relationship between viscoelasticity and the band edge of the spectrum.

  16. Spectrum efficient distance-adaptive paths for fixed and fixed-alternate routing in elastic optical networks

    NASA Astrophysics Data System (ADS)

    Agrawal, Anuj; Bhatia, Vimal; Prakash, Shashi

    2018-01-01

    Efficient utilization of spectrum is a key concern in the soon to be deployed elastic optical networks (EONs). To perform routing in EONs, various fixed routing (FR), and fixed-alternate routing (FAR) schemes are ubiquitously used. FR, and FAR schemes calculate a fixed route, and a prioritized list of a number of alternate routes, respectively, between different pairs of origin o and target t nodes in the network. The route calculation performed using FR and FAR schemes is predominantly based on either the physical distance, known as k -shortest paths (KSP), or on the hop count (HC). For survivable optical networks, FAR usually calculates link-disjoint (LD) paths. These conventional routing schemes have been efficiently used for decades in communication networks. However, in this paper, it has been demonstrated that these commonly used routing schemes cannot utilize the network spectral resources optimally in the newly introduced EONs. Thus, we propose a new routing scheme for EON, namely, k -distance adaptive paths (KDAP) that efficiently utilizes the benefit of distance-adaptive modulation, and bit rate-adaptive superchannel capability inherited by EON to improve spectrum utilization. In the proposed KDAP, routes are found and prioritized on the basis of bit rate, distance, spectrum granularity, and the number of links used for a particular route. To evaluate the performance of KSP, HC, LD, and the proposed KDAP, simulations have been performed for three different sized networks, namely, 7-node test network (TEST7), NSFNET, and 24-node US backbone network (UBN24). We comprehensively assess the performance of various conventional, and the proposed routing schemes by solving both the RSA and the dual RSA problems under homogeneous and heterogeneous traffic requirements. Simulation results demonstrate that there is a variation amongst the performance of KSP, HC, and LD, depending on the o - t pair, and the network topology and its connectivity. However, the proposed KDAP always performs better for all the considered networks and traffic scenarios, as compared to the conventional routing schemes, namely, KSP, HC, and LD. The proposed KDAP achieves up to 60 % , and 10.46 % improvement in terms of spectrum utilization, and resource utilization ratio, respectively, over the conventional routing schemes.

  17. Routing and spectrum assignment based on ant colony optimization of minimum consecutiveness loss in elastic optical networks

    NASA Astrophysics Data System (ADS)

    Wang, Fu; Liu, Bo; Zhang, Lijia; Xin, Xiangjun; Tian, Qinghua; Zhang, Qi; Rao, Lan; Tian, Feng; Luo, Biao; Liu, Yingjun; Tang, Bao

    2016-10-01

    Elastic Optical Networks are considered to be a promising technology for future high-speed network. In this paper, we propose a RSA algorithm based on the ant colony optimization of minimum consecutiveness loss (ACO-MCL). Based on the effect of the spectrum consecutiveness loss on the pheromone in the ant colony optimization, the path and spectrum of the minimal impact on the network are selected for the service request. When an ant arrives at the destination node from the source node along a path, we assume that this path is selected for the request. We calculate the consecutiveness loss of candidate-neighbor link pairs along this path after the routing and spectrum assignment. Then, the networks update the pheromone according to the value of the consecutiveness loss. We save the path with the smallest value. After multiple iterations of the ant colony optimization, the final selection of the path is assigned for the request. The algorithms are simulated in different networks. The results show that ACO-MCL algorithm performs better in blocking probability and spectrum efficiency than other algorithms. Moreover, the ACO-MCL algorithm can effectively decrease spectrum fragmentation and enhance available spectrum consecutiveness. Compared with other algorithms, the ACO-MCL algorithm can reduce the blocking rate by at least 5.9% in heavy load.

  18. Hierarchical coarse-graining strategy for protein-membrane systems to access mesoscopic scales

    PubMed Central

    Ayton, Gary S.; Lyman, Edward

    2014-01-01

    An overall multiscale simulation strategy for large scale coarse-grain simulations of membrane protein systems is presented. The protein is modeled as a heterogeneous elastic network, while the lipids are modeled using the hybrid analytic-systematic (HAS) methodology, where in both cases atomistic level information obtained from molecular dynamics simulation is used to parameterize the model. A feature of this approach is that from the outset liposome length scales are employed in the simulation (i.e., on the order of ½ a million lipids plus protein). A route to develop highly coarse-grained models from molecular-scale information is proposed and results for N-BAR domain protein remodeling of a liposome are presented. PMID:20158037

  19. Experimental Observation of Two Features Unexpected from the Classical Theories of Rubber Elasticity

    NASA Astrophysics Data System (ADS)

    Nishi, Kengo; Fujii, Kenta; Chung, Ung-il; Shibayama, Mitsuhiro; Sakai, Takamasa

    2017-12-01

    Although the elastic modulus of a Gaussian chain network is thought to be successfully described by classical theories of rubber elasticity, such as the affine and phantom models, verification experiments are largely lacking owing to difficulties in precisely controlling of the network structure. We prepared well-defined model polymer networks experimentally, and measured the elastic modulus G for a broad range of polymer concentrations and connectivity probabilities, p . In our experiment, we observed two features that were distinct from those predicted by classical theories. First, we observed the critical behavior G ˜|p -pc|1.95 near the sol-gel transition. This scaling law is different from the prediction of classical theories, but can be explained by analogy between the electric conductivity of resistor networks and the elasticity of polymer networks. Here, pc is the sol-gel transition point. Furthermore, we found that the experimental G -p relations in the region above C* did not follow the affine or phantom theories. Instead, all the G /G0-p curves fell onto a single master curve when G was normalized by the elastic modulus at p =1 , G0. We show that the effective medium approximation for Gaussian chain networks explains this master curve.

  20. Reduction of peak energy demand based on smart appliances energy consumption adjustment

    NASA Astrophysics Data System (ADS)

    Powroźnik, P.; Szulim, R.

    2017-08-01

    In the paper the concept of elastic model of energy management for smart grid and micro smart grid is presented. For the proposed model a method for reducing peak demand in micro smart grid has been defined. The idea of peak demand reduction in elastic model of energy management is to introduce a balance between demand and supply of current power for the given Micro Smart Grid in the given moment. The results of the simulations studies were presented. They were carried out on real household data available on UCI Machine Learning Repository. The results may have practical application in the smart grid networks, where there is a need for smart appliances energy consumption adjustment. The article presents a proposal to implement the elastic model of energy management as the cloud computing solution. This approach of peak demand reduction might have application particularly in a large smart grid.

  1. Shaping through buckling in elastic gridshells: from camping tents to architectural roofs

    NASA Astrophysics Data System (ADS)

    Reis, Pedro

    Elastic gridshells comprise an initially planar network of elastic rods that is actuated into a 3D shell-like structure by loading its extremities. This shaping results from elastic buckling and the subsequent geometrically nonlinear deformation of the grid structure. Architectural elastic gridshells first appeared in the 1970's. However, to date, only a limited number of examples have been constructed around the world, primarily due to the challenges involved in their structural design. Yet, elastic gridshells are highly appealing: they can cover wide spans with low self-weight, they allow for aesthetically pleasing shapes and their construction is typically simple and rapid. We study the mechanics of elastic gridshells by combining precision model experiments that explore their scale invariance, together with computer simulations that employ the Discrete Elastic Rods method. Excellent agreement is found between the two. Upon validation, the numerics are then used to systematically explore parameter space and identify general design principles for specific target final shapes. Our findings are rationalized using the theory of discrete Chebyshev nets, together with the group theory for crystals. Higher buckling modes occur for some configurations due to geometric incompatibility at the boundary and result in symmetry breaking. Along with the systematic classification of the various possible modes of deformation, we provide a reduced model that rationalizes form-finding in elastic gridshells. This work was done in collaboration with Changyeob Baek, Khalid Jawed and Andrew Sageman-Furnas. We are grateful to the NSF for funding (CAREER, CMMI-1351449).

  2. Self-Consistent Field Lattice Model for Polymer Networks.

    PubMed

    Tito, Nicholas B; Storm, Cornelis; Ellenbroek, Wouter G

    2017-12-26

    A lattice model based on polymer self-consistent field theory is developed to predict the equilibrium statistics of arbitrary polymer networks. For a given network topology, our approach uses moment propagators on a lattice to self-consistently construct the ensemble of polymer conformations and cross-link spatial probability distributions. Remarkably, the calculation can be performed "in the dark", without any prior knowledge on preferred chain conformations or cross-link positions. Numerical results from the model for a test network exhibit close agreement with molecular dynamics simulations, including when the network is strongly sheared. Our model captures nonaffine deformation, mean-field monomer interactions, cross-link fluctuations, and finite extensibility of chains, yielding predictions that differ markedly from classical rubber elasticity theory for polymer networks. By examining polymer networks with different degrees of interconnectivity, we gain insight into cross-link entropy, an important quantity in the macroscopic behavior of gels and self-healing materials as they are deformed.

  3. Design and performance evaluation of an OpenFlow-based control plane for software-defined elastic optical networks with direct-detection optical OFDM (DDO-OFDM) transmission.

    PubMed

    Liu, Lei; Peng, Wei-Ren; Casellas, Ramon; Tsuritani, Takehiro; Morita, Itsuro; Martínez, Ricardo; Muñoz, Raül; Yoo, S J B

    2014-01-13

    Optical Orthogonal Frequency Division Multiplexing (O-OFDM), which transmits high speed optical signals using multiple spectrally overlapped lower-speed subcarriers, is a promising candidate for supporting future elastic optical networks. In contrast to previous works which focus on Coherent Optical OFDM (CO-OFDM), in this paper, we consider the direct-detection optical OFDM (DDO-OFDM) as the transport technique, which leads to simpler hardware and software realizations, potentially offering a low-cost solution for elastic optical networks, especially in metro networks, and short or medium distance core networks. Based on this network scenario, we design and deploy a software-defined networking (SDN) control plane enabled by extending OpenFlow, detailing the network architecture, the routing and spectrum assignment algorithm, OpenFlow protocol extensions and the experimental validation. To the best of our knowledge, it is the first time that an OpenFlow-based control plane is reported and its performance is quantitatively measured in an elastic optical network with DDO-OFDM transmission.

  4. Computation of the effective mechanical response of biological networks accounting for large configuration changes.

    PubMed

    El Nady, K; Ganghoffer, J F

    2016-05-01

    The asymptotic homogenization technique is involved to derive the effective elastic response of biological membranes viewed as repetitive beam networks. Thereby, a systematic methodology is established, allowing the prediction of the overall mechanical properties of biological membranes in the nonlinear regime, reflecting the influence of the geometrical and mechanical micro-parameters of the network structure on the overall response of the equivalent continuum. Biomembranes networks are classified based on nodal connectivity, so that we analyze in this work 3, 4 and 6-connectivity networks, which are representative of most biological networks. The individual filaments of the network are described as undulated beams prone to entropic elasticity, with tensile moduli determined from their persistence length. The effective micropolar continuum evaluated as a continuum substitute of the biological network has a kinematics reflecting the discrete network deformation modes, involving a nodal displacement and a microrotation. The statics involves the classical Cauchy stress and internal moments encapsulated into couple stresses, which develop internal work in duality to microcurvatures reflecting local network undulations. The relative ratio of the characteristic bending length of the effective micropolar continuum to the unit cell size determines the relevant choice of the equivalent medium. In most cases, the Cauchy continuum is sufficient to model biomembranes. The peptidoglycan network may exhibit a re-entrant hexagonal configuration due to thermal or pressure fluctuations, for which micropolar effects become important. The homogenized responses are in good agreement with FE simulations performed over the whole network. The predictive nature of the employed homogenization technique allows the identification of a strain energy density of a hyperelastic model, for the purpose of performing structural calculations of the shape evolutions of biomembranes. Copyright © 2015 Elsevier Ltd. All rights reserved.

  5. Mesoscopic model of actin-based propulsion.

    PubMed

    Zhu, Jie; Mogilner, Alex

    2012-01-01

    Two theoretical models dominate current understanding of actin-based propulsion: microscopic polymerization ratchet model predicts that growing and writhing actin filaments generate forces and movements, while macroscopic elastic propulsion model suggests that deformation and stress of growing actin gel are responsible for the propulsion. We examine both experimentally and computationally the 2D movement of ellipsoidal beads propelled by actin tails and show that neither of the two models can explain the observed bistability of the orientation of the beads. To explain the data, we develop a 2D hybrid mesoscopic model by reconciling these two models such that individual actin filaments undergoing nucleation, elongation, attachment, detachment and capping are embedded into the boundary of a node-spring viscoelastic network representing the macroscopic actin gel. Stochastic simulations of this 'in silico' actin network show that the combined effects of the macroscopic elastic deformation and microscopic ratchets can explain the observed bistable orientation of the actin-propelled ellipsoidal beads. To test the theory further, we analyze observed distribution of the curvatures of the trajectories and show that the hybrid model's predictions fit the data. Finally, we demonstrate that the model can explain both concave-up and concave-down force-velocity relations for growing actin networks depending on the characteristic time scale and network recoil. To summarize, we propose that both microscopic polymerization ratchets and macroscopic stresses of the deformable actin network are responsible for the force and movement generation.

  6. Energy-efficient routing, modulation and spectrum allocation in elastic optical networks

    NASA Astrophysics Data System (ADS)

    Tan, Yanxia; Gu, Rentao; Ji, Yuefeng

    2017-07-01

    With tremendous growth in bandwidth demand, energy consumption problem in elastic optical networks (EONs) becomes a hot topic with wide concern. The sliceable bandwidth-variable transponder in EON, which can transmit/receive multiple optical flows, was recently proposed to improve a transponder's flexibility and save energy. In this paper, energy-efficient routing, modulation and spectrum allocation (EE-RMSA) in EONs with sliceable bandwidth-variable transponder is studied. To decrease the energy consumption, we develop a Mixed Integer Linear Programming (MILP) model with corresponding EE-RMSA algorithm for EONs. The MILP model jointly considers the modulation format and optical grooming in the process of routing and spectrum allocation with the objective of minimizing the energy consumption. With the help of genetic operators, the EE-RMSA algorithm iteratively optimizes the feasible routing path, modulation format and spectrum resources solutions by explore the whole search space. In order to save energy, the optical-layer grooming strategy is designed to transmit the lightpath requests. Finally, simulation results verify that the proposed scheme is able to reduce the energy consumption of the network while maintaining the blocking probability (BP) performance compare with the existing First-Fit-KSP algorithm, Iterative Flipping algorithm and EAMGSP algorithm especially in large network topology. Our results also demonstrate that the proposed EE-RMSA algorithm achieves almost the same performance as MILP on an 8-node network.

  7. Efficient convex-elastic net algorithm to solve the Euclidean traveling salesman problem.

    PubMed

    Al-Mulhem, M; Al-Maghrabi, T

    1998-01-01

    This paper describes a hybrid algorithm that combines an adaptive-type neural network algorithm and a nondeterministic iterative algorithm to solve the Euclidean traveling salesman problem (E-TSP). It begins with a brief introduction to the TSP and the E-TSP. Then, it presents the proposed algorithm with its two major components: the convex-elastic net (CEN) algorithm and the nondeterministic iterative improvement (NII) algorithm. These two algorithms are combined into the efficient convex-elastic net (ECEN) algorithm. The CEN algorithm integrates the convex-hull property and elastic net algorithm to generate an initial tour for the E-TSP. The NII algorithm uses two rearrangement operators to improve the initial tour given by the CEN algorithm. The paper presents simulation results for two instances of E-TSP: randomly generated tours and tours for well-known problems in the literature. Experimental results are given to show that the proposed algorithm ran find the nearly optimal solution for the E-TSP that outperform many similar algorithms reported in the literature. The paper concludes with the advantages of the new algorithm and possible extensions.

  8. Least loaded and route fragmentation aware RSA strategies for elastic optical networks

    NASA Astrophysics Data System (ADS)

    Batham, Deepak; Yadav, Dharmendra Singh; Prakash, Shashi

    2017-12-01

    Elastic optical networks (EONs) provide flexibility to assign wide range of spectral resources to the connection requests. In this manuscript, we address two issues related to spectrum assignment in EONs: the non uniform spectrum assignment along different links of the route and the spectrum fragmentation in the network. To address these issues, two routing and spectrum assignment (RSA) strategies have been proposed: Least Loaded RSA (LLRSA) and Route Fragmentation Aware RSA (RFARSA). The LLRSA allocates spectrum homogeneously along different links in the network, where as RFARSA accords priority to the routes which are less fragmented. To highlight the salient features of the two strategies, two new metrics, route fragmentation index (RFI) and standard deviation (SD) are introduced. RFI is defined as the ratio of non-contiguous FSs to the total available free FSs on the route, and SD relates to the measure of non-uniformity in the allocation of resources on the links in the network. A simulation program has been developed to evaluate the performance of the proposed (LLRSA and RFARSA) strategies, and the existing strategies of shortest path RSA (SPRSA) and spectrum compactness based defragmentation (SCD) strategies, on the metric of RFI, bandwidth blocking probability (BBP), network capacity utilized, and SD. The variation in the metrics on the basis of number of requests and the bandwidth (number of FSs) requested has been studied. It has been conclusively established that the proposed strategies (LLRSA and RFARSA) outperform the existing strategies in terms of all the metrics.

  9. Dynamic behavior of acrylic acid clusters as quasi-mobile nodes in a model of hydrogel network

    NASA Astrophysics Data System (ADS)

    Zidek, Jan; Milchev, Andrey; Vilgis, Thomas A.

    2012-12-01

    Using a molecular dynamics simulation, we study the thermo-mechanical behavior of a model hydrogel subject to deformation and change in temperature. The model is found to describe qualitatively poly-lactide-glycolide hydrogels in which acrylic acid (AA)-groups are believed to play the role of quasi-mobile nodes in the formation of a network. From our extensive analysis of the structure, formation, and disintegration of the AA-groups, we are able to elucidate the relationship between structure and viscous-elastic behavior of the model hydrogel. Thus, in qualitative agreement with observations, we find a softening of the mechanical response at large deformations, which is enhanced by growing temperature. Several observables as the non-affinity parameter A and the network rearrangement parameter V indicate the existence of a (temperature-dependent) threshold degree of deformation beyond which the quasi-elastic response of the model system turns over into plastic (ductile) one. The critical stretching when the affinity of the deformation is lost can be clearly located in terms of A and V as well as by analysis of the energy density of the system. The observed stress-strain relationship matches that of known experimental systems.

  10. Glass-like stress relaxation of a permanent gelatin network as a signature of pretransitional helix-coil fluctuations

    NASA Astrophysics Data System (ADS)

    Caroli, Christiane; Ronsin, Olivier; Lemaître, Anaël

    2018-02-01

    The stress response of permanently crosslinked gelatin gels was recently observed to display glass-like features, namely, a stretched-exponential behavior terminated by an exponential decay, the characteristic time scales of which increase dramatically with decreasing temperature. This phenomenon is studied here using a model of flexible polymer gel network where relaxation proceeds via elementary monomer exchanges between helix and coil segments. The relaxation dynamics of a full network simulation is found to be nearly identical to that of a model of independent strands, which shows that for flexible polymer gels in the range of elastic moduli of interest, both strand contour length disorder and elastic couplings are irrelevant. We thus focus on the independent strand model and find it not only to explain the observed functional form of the stress relaxation curves but also to yield predictions that match very satisfactorily the experimental measurements of final relaxation time and total stress drop. The system under study thus constitutes a rare case where the origin of glass-like behavior can be unambiguously identified, namely, as the signature of the enhancement of helix content fluctuations when approaching from above the mean-field helix-coil transition of strands.

  11. Distinct Tensile Response of Model Semi-flexible Elastomer Networks

    NASA Astrophysics Data System (ADS)

    Aguilera-Mercado, Bernardo M.; Cohen, Claude; Escobedo, Fernando A.

    2011-03-01

    Through coarse-grained molecular modeling, we study how the elastic response strongly depends upon nanostructural heterogeneities in model networks made of semi-flexible chains exhibiting both regular and realistic connectivity. Idealized regular polymer networks have been shown to display a peculiar elastic response similar to that of super-tough natural materials (e.g., organic adhesives inside abalone shells). We investigate the impact of chain stiffness, and the effect of including tri-block copolymer chains, on the network's topology and elastic response. We find in some systems a dual tensile response: a liquid-like behavior at small deformations, and a distinct saw-tooth shaped stress-strain curve at moderate to large deformations. Additionally, stiffer regular networks exhibit a marked hysteresis over loading-unloading cycles that can be deleted by heating-cooling cycles or by performing deformations along different axes. Furthermore, small variations of chain stiffness may entirely change the nature of the network's tensile response from an entropic to an enthalpic elastic regime, and micro-phase separation of different blocks within elastomer networks may significantly enhance their mechanical strength. This work was supported by the American Chemical Society.

  12. Influence of the optimization methods on neural state estimation quality of the drive system with elasticity.

    PubMed

    Orlowska-Kowalska, Teresa; Kaminski, Marcin

    2014-01-01

    The paper deals with the implementation of optimized neural networks (NNs) for state variable estimation of the drive system with an elastic joint. The signals estimated by NNs are used in the control structure with a state-space controller and additional feedbacks from the shaft torque and the load speed. High estimation quality is very important for the correct operation of a closed-loop system. The precision of state variables estimation depends on the generalization properties of NNs. A short review of optimization methods of the NN is presented. Two techniques typical for regularization and pruning methods are described and tested in detail: the Bayesian regularization and the Optimal Brain Damage methods. Simulation results show good precision of both optimized neural estimators for a wide range of changes of the load speed and the load torque, not only for nominal but also changed parameters of the drive system. The simulation results are verified in a laboratory setup.

  13. Locating S-wave sources for the SPE-5 explosion using time reversal methods and a close-in, 1000 sensor network

    NASA Astrophysics Data System (ADS)

    Myers, S. C.; Pitarka, A.; Mellors, R. J.

    2016-12-01

    The Source Physics Experiment (SPE) is producing new data to study the generation of seismic waves from explosive sources. Preliminary results show that far-field S-waves are generated both within the non-elastic volume surrounding explosive sources and by P- to S-wave scattering. The relative contribution of non-elastic phenomenology and elastic-wave scattering to far-field S-waves has been debated for decades, and numerical simulations based on the SPE experiments are addressing this question. The match between observed and simulated data degrades with event-station distance and with increasing time in each seismogram. This suggests that a more accurate model of subsurface elastic properties could result in better agreement between observed and simulated seismograms. A detailed model of subsurface structure has been developed using geologic maps and the extensive database of borehole logs, but uncertainty in structural details remains high. The large N instrument deployment during the SPE-5 experiment offers an opportunity to use time-reversal techniques to back project the wave field into the subsurface to locate significant sources of scattered energy. The large N deployment was nominally 1000, 5 Hz sensors (500 Z and 500 3C geophones) deployed in a roughly rectangular array to the south and east of the SPE-5 shot. Sensor spacing was nominally 50 meters in the interior portion of the array and 100 meters in the outer region, with two dense lines at 25 m spacing. The array covers the major geologic boundary between the Yucca Flat basin and the granitic Climax Stock in which the SPE experiments have been conducted. Improved mapping of subsurface scatterers is expected to result in better agreement between simulated and observed seismograms and aid in our understanding of S-wave generation from explosions. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344.

  14. A Three-Dimensional Computational Model of Collagen Network Mechanics

    PubMed Central

    Lee, Byoungkoo; Zhou, Xin; Riching, Kristin; Eliceiri, Kevin W.; Keely, Patricia J.; Guelcher, Scott A.; Weaver, Alissa M.; Jiang, Yi

    2014-01-01

    Extracellular matrix (ECM) strongly influences cellular behaviors, including cell proliferation, adhesion, and particularly migration. In cancer, the rigidity of the stromal collagen environment is thought to control tumor aggressiveness, and collagen alignment has been linked to tumor cell invasion. While the mechanical properties of collagen at both the single fiber scale and the bulk gel scale are quite well studied, how the fiber network responds to local stress or deformation, both structurally and mechanically, is poorly understood. This intermediate scale knowledge is important to understanding cell-ECM interactions and is the focus of this study. We have developed a three-dimensional elastic collagen fiber network model (bead-and-spring model) and studied fiber network behaviors for various biophysical conditions: collagen density, crosslinker strength, crosslinker density, and fiber orientation (random vs. prealigned). We found the best-fit crosslinker parameter values using shear simulation tests in a small strain region. Using this calibrated collagen model, we simulated both shear and tensile tests in a large linear strain region for different network geometry conditions. The results suggest that network geometry is a key determinant of the mechanical properties of the fiber network. We further demonstrated how the fiber network structure and mechanics evolves with a local formation, mimicking the effect of pulling by a pseudopod during cell migration. Our computational fiber network model is a step toward a full biomechanical model of cellular behaviors in various ECM conditions. PMID:25386649

  15. The ultra-structural organization of the elastic network in the intra- and inter-lamellar matrix of the intervertebral disc.

    PubMed

    Tavakoli, J; Elliott, D M; Costi, J J

    2017-08-01

    The inter-lamellar matrix (ILM)-located between adjacent lamellae of the annulus fibrosus-consists of a complex structure of elastic fibers, while elastic fibers of the intra-lamellar region are aligned predominantly parallel to the collagen fibers. The organization of elastic fibers under low magnification, in both inter- and intra-lamellar regions, was studied by light microscopic analysis of histologically prepared samples; however, little is known about their ultrastructure. An ultrastructural visualization of elastic fibers in the inter-lamellar matrix is crucial for describing their contribution to structural integrity, as well as mechanical properties of the annulus fibrosus. The aims of this study were twofold: first, to present an ultrastructural analysis of the elastic fiber network in the ILM and intra-lamellar region, including cross section (CS) and in-plane (IP) lamellae, of the AF using Scanning Electron Microscopy (SEM) and second, to -compare the elastic fiber orientation between the ILM and intra-lamellar region. Four samples (lumbar sheep discs) from adjacent sections (30μm thickness) of anterior annulus were partially digested by a developed NaOH-sonication method for visualization of elastic fibers by SEM. Elastic fiber orientation and distribution were quantified relative to the tangential to circumferential reference axis. Visualization of the ILM under high magnification revealed a dense network of elastic fibers that has not been previously described. Within the ILM, elastic fibers form a complex network, consisting of different size and shape fibers, which differed to those located in the intra-lamellar region. For both regions, the majority of fibers were oriented near 0° with respect to tangential to circumferential (TCD) direction and two minor symmetrical orientations of approximately±45°. Statistically, the orientation of elastic fibers between the ILM and intra-lamellar region was not different (p=0.171). The present study used extracellular matrix partial digestion to address significant gaps in understanding of disc microstructure and will contribute to multidisciplinary ultrastructure-function studies. Visualization of the intra-lamellar matrix under high magnification revealed a dense network of elastic fibers that has not been previously described. The present study used extracellular matrix partial digestion to address significant gaps in understanding of disc microstructure and will contribute to multidisciplinary ultrastructure-function studies. Copyright © 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  16. Networks with fourfold connectivity in two dimensions.

    PubMed

    Tessier, Frédéric; Boal, David H; Discher, Dennis E

    2003-01-01

    The elastic properties of planar, C4-symmetric networks under stress and at nonzero temperature are determined by simulation and mean field approximations. Attached at fourfold coordinated junction vertices, the networks are self-avoiding in that their elements (or bonds) may not intersect each other. Two different models are considered for the potential energy of the elements: either Hooke's law springs or flexible tethers (square well potential). For certain ranges of stress and temperature, the properties of the networks are captured by one of several models: at large tensions, the networks behave like a uniform system of square plaquettes, while at large compressions or high temperatures, they display many characteristics of an ideal gas. Under less severe conditions, mean field models with more general shapes (parallelograms) reproduce many essential features of both networks. Lastly, the spring network expands without limit at a two-dimensional tension equal to the force constant of the spring; however, it does not appear to collapse under compression, except at zero temperature.

  17. Mathematical modelling of flow distribution in the human cardiovascular system

    NASA Technical Reports Server (NTRS)

    Sud, V. K.; Srinivasan, R. S.; Charles, J. B.; Bungo, M. W.

    1992-01-01

    The paper presents a detailed model of the entire human cardiovascular system which aims to study the changes in flow distribution caused by external stimuli, changes in internal parameters, or other factors. The arterial-venous network is represented by 325 interconnected elastic segments. The mathematical description of each segment is based on equations of hydrodynamics and those of stress/strain relationships in elastic materials. Appropriate input functions provide for the pumping of blood by the heart through the system. The analysis employs the finite-element technique which can accommodate any prescribed boundary conditions. Values of model parameters are from available data on physical and rheological properties of blood and blood vessels. As a representative example, simulation results on changes in flow distribution with changes in the elastic properties of blood vessels are discussed. They indicate that the errors in the calculated overall flow rates are not significant even in the extreme case of arteries and veins behaving as rigid tubes.

  18. Physics of soft hyaluronic acid-collagen type II double network gels

    NASA Astrophysics Data System (ADS)

    Morozova, Svetlana; Muthukumar, Murugappan

    2015-03-01

    Many biological hydrogels are made up of multiple interpenetrating, charged components. We study the swelling, elastic diffusion, mechanical, and optical behaviors of 100 mol% ionizable hyaluronic acid (HA) and collagen type II fiber networks. Dilute, 0.05-0.5 wt% hyaluronic acid networks are extremely sensitive to solution salt concentration, but are stable at pH above 2. When swelled in 0.1M NaCl, single-network hyaluronic acid gels follow scaling laws relevant to high salt semidilute solutions; the elastic shear modulus G' and diffusion constant D scale with the volume fraction ϕ as G' ~ϕ 9 / 4 and D ~ϕ 3 / 4 , respectively. With the addition of a collagen fiber network, we find that the hyaluronic acid network swells to suspend the rigid collagen fibers, providing extra strength to the hydrogel. Results on swelling equilibria, elasticity, and collective diffusion on these double network hydrogels will be presented.

  19. Displacement back analysis for a high slope of the Dagangshan Hydroelectric Power Station based on BP neural network and particle swarm optimization.

    PubMed

    Liang, Zhengzhao; Gong, Bin; Tang, Chunan; Zhang, Yongbin; Ma, Tianhui

    2014-01-01

    The right bank high slope of the Dagangshan Hydroelectric Power Station is located in complicated geological conditions with deep fractures and unloading cracks. How to obtain the mechanical parameters and then evaluate the safety of the slope are the key problems. This paper presented a displacement back analysis for the slope using an artificial neural network model (ANN) and particle swarm optimization model (PSO). A numerical model was established to simulate the displacement increment results, acquiring training data for the artificial neural network model. The backpropagation ANN model was used to establish a mapping function between the mechanical parameters and the monitoring displacements. The PSO model was applied to initialize the weights and thresholds of the backpropagation (BP) network model and determine suitable values of the mechanical parameters. Then the elastic moduli of the rock masses were obtained according to the monitoring displacement data at different excavation stages, and the BP neural network model was proved to be valid by comparing the measured displacements, the displacements predicted by the BP neural network model, and the numerical simulation using the back-analyzed parameters. The proposed model is useful for rock mechanical parameters determination and instability investigation of rock slopes.

  20. Displacement Back Analysis for a High Slope of the Dagangshan Hydroelectric Power Station Based on BP Neural Network and Particle Swarm Optimization

    PubMed Central

    Liang, Zhengzhao; Gong, Bin; Tang, Chunan; Zhang, Yongbin; Ma, Tianhui

    2014-01-01

    The right bank high slope of the Dagangshan Hydroelectric Power Station is located in complicated geological conditions with deep fractures and unloading cracks. How to obtain the mechanical parameters and then evaluate the safety of the slope are the key problems. This paper presented a displacement back analysis for the slope using an artificial neural network model (ANN) and particle swarm optimization model (PSO). A numerical model was established to simulate the displacement increment results, acquiring training data for the artificial neural network model. The backpropagation ANN model was used to establish a mapping function between the mechanical parameters and the monitoring displacements. The PSO model was applied to initialize the weights and thresholds of the backpropagation (BP) network model and determine suitable values of the mechanical parameters. Then the elastic moduli of the rock masses were obtained according to the monitoring displacement data at different excavation stages, and the BP neural network model was proved to be valid by comparing the measured displacements, the displacements predicted by the BP neural network model, and the numerical simulation using the back-analyzed parameters. The proposed model is useful for rock mechanical parameters determination and instability investigation of rock slopes. PMID:25140345

  1. Tensegrity and motor-driven effective interactions in a model cytoskeleton

    NASA Astrophysics Data System (ADS)

    Wang, Shenshen; Wolynes, Peter G.

    2012-04-01

    Actomyosin networks are major structural components of the cell. They provide mechanical integrity and allow dynamic remodeling of eukaryotic cells, self-organizing into the diverse patterns essential for development. We provide a theoretical framework to investigate the intricate interplay between local force generation, network connectivity, and collective action of molecular motors. This framework is capable of accommodating both regular and heterogeneous pattern formation, arrested coarsening and macroscopic contraction in a unified manner. We model the actomyosin system as a motorized cat's cradle consisting of a crosslinked network of nonlinear elastic filaments subjected to spatially anti-correlated motor kicks acting on motorized (fibril) crosslinks. The phase diagram suggests there can be arrested phase separation which provides a natural explanation for the aggregation and coalescence of actomyosin condensates. Simulation studies confirm the theoretical picture that a nonequilibrium many-body system driven by correlated motor kicks can behave as if it were at an effective equilibrium, but with modified interactions that account for the correlation of the motor driven motions of the actively bonded nodes. Regular aster patterns are observed both in Brownian dynamics simulations at effective equilibrium and in the complete stochastic simulations. The results show that large-scale contraction requires correlated kicking.

  2. Novel elastic protection against DDF failures in an enhanced software-defined SIEPON

    NASA Astrophysics Data System (ADS)

    Pakpahan, Andrew Fernando; Hwang, I.-Shyan; Yu, Yu-Ming; Hsu, Wu-Hsiao; Liem, Andrew Tanny; Nikoukar, AliAkbar

    2017-07-01

    Ever-increasing bandwidth demands on passive optical networks (PONs) are pushing the utilization of every fiber strand to its limit. This is mandating comprehensive protection until the end of the distribution drop fiber (DDF). Hence, it is important to provide refined protection with an advanced fault-protection architecture and recovery mechanism that is able to cope with various DDF failures. We propose a novel elastic protection against DDF failures that incorporates a software-defined networking (SDN) capability and a bus protection line to enhance the resiliency of the existing Service Interoperability in Ethernet Passive Optical Networks (SIEPON) system. We propose the addition of an integrated SDN controller and flow tables to the optical line terminal and optical network units (ONUs) in order to deliver various DDF protection scenarios. The proposed architecture enables flexible assignment of backup ONU(s) in pre/post-fault conditions depending on the PON traffic load. A transient backup ONU and multiple backup ONUs can be deployed in the pre-fault and post-fault scenarios, respectively. Our extensively discussed simulation results show that our proposed architecture provides better overall throughput and drop probability compared to the architecture with a fixed DDF protection mechanism. It does so while still maintaining overall QoS performance in terms of packet delay, mean jitter, packet loss, and throughput under various fault conditions.

  3. Stress-stress fluctuation formula for elastic constants in the NPT ensemble

    NASA Astrophysics Data System (ADS)

    Lips, Dominik; Maass, Philipp

    2018-05-01

    Several fluctuation formulas are available for calculating elastic constants from equilibrium correlation functions in computer simulations, but the ones available for simulations at constant pressure exhibit slow convergence properties and cannot be used for the determination of local elastic constants. To overcome these drawbacks, we derive a stress-stress fluctuation formula in the NPT ensemble based on known expressions in the NVT ensemble. We validate the formula in the NPT ensemble by calculating elastic constants for the simple nearest-neighbor Lennard-Jones crystal and by comparing the results with those obtained in the NVT ensemble. For both local and bulk elastic constants we find an excellent agreement between the simulated data in the two ensembles. To demonstrate the usefulness of the formula, we apply it to determine the elastic constants of a simulated lipid bilayer.

  4. Development of three-dimensional hollow elastic model for cerebral aneurysm clipping simulation enabling rapid and low cost prototyping.

    PubMed

    Mashiko, Toshihiro; Otani, Keisuke; Kawano, Ryutaro; Konno, Takehiko; Kaneko, Naoki; Ito, Yumiko; Watanabe, Eiju

    2015-03-01

    We developed a method for fabricating a three-dimensional hollow and elastic aneurysm model useful for surgical simulation and surgical training. In this article, we explain the hollow elastic model prototyping method and report on the effects of applying it to presurgical simulation and surgical training. A three-dimensional printer using acrylonitrile-butadiene-styrene as a modeling material was used to produce a vessel model. The prototype was then coated with liquid silicone. After the silicone had hardened, the acrylonitrile-butadiene-styrene was melted with xylene and removed, leaving an outer layer as a hollow elastic model. Simulations using the hollow elastic model were performed in 12 patients. In all patients, the clipping proceeded as scheduled. The surgeon's postoperative assessment was favorable in all cases. This method enables easy fabrication at low cost. Simulation using the hollow elastic model is thought to be useful for understanding of three-dimensional aneurysm structure. Copyright © 2015 Elsevier Inc. All rights reserved.

  5. Based on records of Three Gorge Telemetric Seismic Network to analyze Vibration process of micro fracture of rock landslide

    NASA Astrophysics Data System (ADS)

    WANG, Q.

    2017-12-01

    Used the finite element analysis software GeoStudio to establish vibration analysis model of Qianjiangping landslide, which locates at the Three Gorges Reservoir area. In QUAKE/W module, we chosen proper Dynamic elasticity modulus and Poisson's ratio of soil layer and rock stratum. When loading, we selected the waveform data record of Three Gorge Telemetric Seismic Network as input ground motion, which includes five rupture events recorded of Lujiashan seismic station. In dynamic simulating, we mainly focused on sliding process when the earthquake date record was applied. The simulation result shows that Qianjiangping landslide wasn't not only affected by its own static force, but also experienced the dynamic process of micro fracture-creep-slip rupture-creep-slip.it provides a new approach for the early warning feasibility of rock landslide in future research.

  6. A Cloud-Based Simulation Architecture for Pandemic Influenza Simulation

    PubMed Central

    Eriksson, Henrik; Raciti, Massimiliano; Basile, Maurizio; Cunsolo, Alessandro; Fröberg, Anders; Leifler, Ola; Ekberg, Joakim; Timpka, Toomas

    2011-01-01

    High-fidelity simulations of pandemic outbreaks are resource consuming. Cluster-based solutions have been suggested for executing such complex computations. We present a cloud-based simulation architecture that utilizes computing resources both locally available and dynamically rented online. The approach uses the Condor framework for job distribution and management of the Amazon Elastic Computing Cloud (EC2) as well as local resources. The architecture has a web-based user interface that allows users to monitor and control simulation execution. In a benchmark test, the best cost-adjusted performance was recorded for the EC2 H-CPU Medium instance, while a field trial showed that the job configuration had significant influence on the execution time and that the network capacity of the master node could become a bottleneck. We conclude that it is possible to develop a scalable simulation environment that uses cloud-based solutions, while providing an easy-to-use graphical user interface. PMID:22195089

  7. Stochastic Investigation of Natural Frequency for Functionally Graded Plates

    NASA Astrophysics Data System (ADS)

    Karsh, P. K.; Mukhopadhyay, T.; Dey, S.

    2018-03-01

    This paper presents the stochastic natural frequency analysis of functionally graded plates by applying artificial neural network (ANN) approach. Latin hypercube sampling is utilised to train the ANN model. The proposed algorithm for stochastic natural frequency analysis of FGM plates is validated and verified with original finite element method and Monte Carlo simulation (MCS). The combined stochastic variation of input parameters such as, elastic modulus, shear modulus, Poisson ratio, and mass density are considered. Power law is applied to distribute the material properties across the thickness. The present ANN model reduces the sample size and computationally found efficient as compared to conventional Monte Carlo simulation.

  8. Exascale Virtualized and Programmable Distributed Cyber Resource Control: Final Scientific Technical Report

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

    Yoo, S.J.Ben; Lauer, Gregory S.

    Extreme-science drives the need for distributed exascale processing and communications that are carefully, yet flexibly, managed. Exponential growth of data for scientific simulations, experimental data, collaborative data analyses, remote visualization and GRID computing requirements of scientists in fields as diverse as high energy physics, climate change, genomics, fusion, synchrotron radiation, material science, medicine, and other scientific disciplines cannot be accommodated by simply applying existing transport protocols to faster pipes. Further, scientific challenges today demand diverse research teams, heightening the need for and increasing the complexity of collaboration. To address these issues within the network layer and physical layer, we havemore » performed a number of research activities surrounding effective allocation and management of elastic optical network (EON) resources, particularly focusing on FlexGrid transponders. FlexGrid transponders support the opportunity to build Layer-1 connections at a wide range of bandwidths and to reconfigure them rapidly. The new flexibility supports complex new ways of using the physical layer that must be carefully managed and hidden from the scientist end-users. FlexGrid networks utilize flexible (or elastic) spectral bandwidths for each data link without using fixed wavelength grids. The flexibility in spectrum allocation brings many appealing features to network operations. Current networks are designed for the worst case impairments in transmission performance and the assigned spectrum is over-provisioned. In contrast, the FlexGrid networks can operate with the highest spectral efficiency and minimum bandwidth for the given traffic demand while meeting the minimum quality of transmission (QoT) requirement. Two primary focuses of our research are: (1) resource and spectrum allocation (RSA) for IP traffic over EONs, and (2) RSA for cross-domain optical networks. Previous work concentrates primarily on large file transfers within a single domain. Adding support for IP traffic changes the nature of the RSA problem: instead of choosing to accept or deny each request for network support, IP traffic is inherently elastic and thus lends itself to a bandwidth maximization formulation. We developed a number of algorithms that could be easily deployed within existing and new FlexGrid networks, leading to networks that better support scientific collaboration. Cross-domain RSA research is essential to support large-scale FlexGrid networks, since configuration information is generally not shared or coordinated across domains. The results presented here are in their early stages. They are technically feasible and practical, but still require coordination among organizations and equipment owners and a higher-layer framework for managing network requests.« less

  9. A structural insight into mechanical strength of graphene-like carbon and carbon nitride networks

    NASA Astrophysics Data System (ADS)

    Rahaman, Obaidur; Mortazavi, Bohayra; Dianat, Arezoo; Cuniberti, Gianaurelio; Rabczuk, Timon

    2017-02-01

    Graphene, one of the strongest materials ever discovered, triggered the exploration of many 2D materials in the last decade. However, the successful synthesis of a stable nanomaterial requires a rudimentary understanding of the relationship between its structure and strength. In the present study, we investigate the mechanical properties of eight different carbon-based 2D nanomaterials by performing extensive density functional theory calculations. The considered structures were just recently either experimentally synthesized or theoretically predicted. The corresponding stress-strain curves and elastic moduli are reported. They can be useful in training force field parameters for large scale simulations. A comparative analysis of these results revealed a direct relationship between atomic density per area and elastic modulus. Furthermore, for the networks that have an armchair and a zigzag orientation, we observed that they were more stretchable in the zigzag direction than the armchair direction. A critical analysis of the angular distributions and radial distribution functions suggested that it could be due to the higher ability of the networks to suppress the elongations of the bonds in the zigzag direction by deforming the bond angles. The structural interpretations provided in this work not only improve the general understanding of a 2D material’s strength but also enables us to rationally design them for higher qualities.

  10. Performance evaluation of multi-stratum resources integration based on network function virtualization in software defined elastic data center optical interconnect.

    PubMed

    Yang, Hui; Zhang, Jie; Ji, Yuefeng; Tian, Rui; Han, Jianrui; Lee, Young

    2015-11-30

    Data center interconnect with elastic optical network is a promising scenario to meet the high burstiness and high-bandwidth requirements of data center services. In our previous work, we implemented multi-stratum resilience between IP and elastic optical networks that allows to accommodate data center services. In view of this, this study extends to consider the resource integration by breaking the limit of network device, which can enhance the resource utilization. We propose a novel multi-stratum resources integration (MSRI) architecture based on network function virtualization in software defined elastic data center optical interconnect. A resource integrated mapping (RIM) scheme for MSRI is introduced in the proposed architecture. The MSRI can accommodate the data center services with resources integration when the single function or resource is relatively scarce to provision the services, and enhance globally integrated optimization of optical network and application resources. The overall feasibility and efficiency of the proposed architecture are experimentally verified on the control plane of OpenFlow-based enhanced software defined networking (eSDN) testbed. The performance of RIM scheme under heavy traffic load scenario is also quantitatively evaluated based on MSRI architecture in terms of path blocking probability, provisioning latency and resource utilization, compared with other provisioning schemes.

  11. Normal Stresses, Contraction, and Stiffening in Sheared Elastic Networks

    NASA Astrophysics Data System (ADS)

    Baumgarten, Karsten; Tighe, Brian P.

    2018-04-01

    When elastic solids are sheared, a nonlinear effect named after Poynting gives rise to normal stresses or changes in volume. We provide a novel relation between the Poynting effect and the microscopic Grüneisen parameter, which quantifies how stretching shifts vibrational modes. By applying this relation to random spring networks, a minimal model for, e.g., biopolymer gels and solid foams, we find that networks contract or develop tension because they vibrate faster when stretched. The amplitude of the Poynting effect is sensitive to the network's linear elastic moduli, which can be tuned via its preparation protocol and connectivity. Finally, we show that the Poynting effect can be used to predict the finite strain scale where the material stiffens under shear.

  12. Biophysically defined and cytocompatible covalently adaptable networks as viscoelastic 3D cell culture systems.

    PubMed

    McKinnon, Daniel D; Domaille, Dylan W; Cha, Jennifer N; Anseth, Kristi S

    2014-02-12

    Presented here is a cytocompatible covalently adaptable hydrogel uniquely capable of mimicking the complex biophysical properties of native tissue and enabling natural cell functions without matrix degradation. Demonstrated is both the ability to control elastic modulus and stress relaxation time constants by more than an order of magnitude while predicting these values based on fundamental theoretical understanding and the simulation of muscle tissue and the encapsulation of myoblasts. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Inherently unstable networks collapse to a critical point

    NASA Astrophysics Data System (ADS)

    Sheinman, M.; Sharma, A.; Alvarado, J.; Koenderink, G. H.; MacKintosh, F. C.

    2015-07-01

    Nonequilibrium systems that are driven or drive themselves towards a critical point have been studied for almost three decades. Here we present a minimalist example of such a system, motivated by experiments on collapsing active elastic networks. Our model of an unstable elastic network exhibits a collapse towards a critical point from any macroscopically connected initial configuration. Taking into account steric interactions within the network, the model qualitatively and quantitatively reproduces results of the experiments on collapsing active gels.

  14. Independent saturation of three TrpRS subsites generates a partially assembled state similar to those observed in molecular simulations

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

    Laowanapiban, Poramaet; Kapustina, Maryna; Vonrhein, Clemens

    2009-03-05

    Two new crystal structures of Bacillus stearothermophilus tryptophanyl-tRNA synthetase (TrpRS) afford evidence that a closed interdomain hinge angle requires a covalent bond between AMP and an occupant of either pyrophosphate or tryptophan subsite. They also are within experimental error of a cluster of structures observed in a nonequilibrium molecular dynamics simulation showing partial active-site assembly. Further, the highest energy structure in a minimum action pathway computed by using elastic network models for Open and Pretransition state (PreTS) conformations for the fully liganded TrpRS monomer is intermediate between that simulated structure and a partially disassembled structure from a nonequilibrium molecular dynamicsmore » trajectory for the unliganded PreTS. These mutual consistencies provide unexpected validation of inferences drawn from molecular simulations.« less

  15. Neuromodulation and Synaptic Plasticity for the Control of Fast Periodic Movement: Energy Efficiency in Coupled Compliant Joints via PCA.

    PubMed

    Stratmann, Philipp; Lakatos, Dominic; Albu-Schäffer, Alin

    2016-01-01

    There are multiple indications that the nervous system of animals tunes muscle output to exploit natural dynamics of the elastic locomotor system and the environment. This is an advantageous strategy especially in fast periodic movements, since the elastic elements store energy and increase energy efficiency and movement speed. Experimental evidence suggests that coordination among joints involves proprioceptive input and neuromodulatory influence originating in the brain stem. However, the neural strategies underlying the coordination of fast periodic movements remain poorly understood. Based on robotics control theory, we suggest that the nervous system implements a mechanism to accomplish coordination between joints by a linear coordinate transformation from the multi-dimensional space representing proprioceptive input at the joint level into a one-dimensional controller space. In this one-dimensional subspace, the movements of a whole limb can be driven by a single oscillating unit as simple as a reflex interneuron. The output of the oscillating unit is transformed back to joint space via the same transformation. The transformation weights correspond to the dominant principal component of the movement. In this study, we propose a biologically plausible neural network to exemplify that the central nervous system (CNS) may encode our controller design. Using theoretical considerations and computer simulations, we demonstrate that spike-timing-dependent plasticity (STDP) for the input mapping and serotonergic neuromodulation for the output mapping can extract the dominant principal component of sensory signals. Our simulations show that our network can reliably control mechanical systems of different complexity and increase the energy efficiency of ongoing cyclic movements. The proposed network is simple and consistent with previous biologic experiments. Thus, our controller could serve as a candidate to describe the neural control of fast, energy-efficient, periodic movements involving multiple coupled joints.

  16. Neuromodulation and Synaptic Plasticity for the Control of Fast Periodic Movement: Energy Efficiency in Coupled Compliant Joints via PCA

    PubMed Central

    Stratmann, Philipp; Lakatos, Dominic; Albu-Schäffer, Alin

    2016-01-01

    There are multiple indications that the nervous system of animals tunes muscle output to exploit natural dynamics of the elastic locomotor system and the environment. This is an advantageous strategy especially in fast periodic movements, since the elastic elements store energy and increase energy efficiency and movement speed. Experimental evidence suggests that coordination among joints involves proprioceptive input and neuromodulatory influence originating in the brain stem. However, the neural strategies underlying the coordination of fast periodic movements remain poorly understood. Based on robotics control theory, we suggest that the nervous system implements a mechanism to accomplish coordination between joints by a linear coordinate transformation from the multi-dimensional space representing proprioceptive input at the joint level into a one-dimensional controller space. In this one-dimensional subspace, the movements of a whole limb can be driven by a single oscillating unit as simple as a reflex interneuron. The output of the oscillating unit is transformed back to joint space via the same transformation. The transformation weights correspond to the dominant principal component of the movement. In this study, we propose a biologically plausible neural network to exemplify that the central nervous system (CNS) may encode our controller design. Using theoretical considerations and computer simulations, we demonstrate that spike-timing-dependent plasticity (STDP) for the input mapping and serotonergic neuromodulation for the output mapping can extract the dominant principal component of sensory signals. Our simulations show that our network can reliably control mechanical systems of different complexity and increase the energy efficiency of ongoing cyclic movements. The proposed network is simple and consistent with previous biologic experiments. Thus, our controller could serve as a candidate to describe the neural control of fast, energy-efficient, periodic movements involving multiple coupled joints. PMID:27014051

  17. Mechanics of Fluctuating Elastic Plates and Fiber Networks

    NASA Astrophysics Data System (ADS)

    Liang, Xiaojun

    Lipid membranes and fiber networks in biological systems perform important mechanical functions at the cellular and tissue levels. In this thesis I delve into two detailed problems--thermal fluctuation of membranes and non-linear compression response of fiber networks. Typically, membrane fluctuations are analysed by decomposing into normal modes or by molecular simulations. In the first part of my thesis, I propose a new semi-analytic method to calculate the partition function of a membrane. The membrane is viewed as a fluctuating von Karman plate and discretized into triangular elements. Its energy is expressed as a function of nodal displacements, and then the partition function and co-variance matrix are computed using Gaussian integrals. I recover well-known results for the dependence of the projected area of a lipid bilayer membrane on the applied tension, and recent simulation results on the ependence of membrane free energy on geometry, spontaneous curvature and tension. As new applications I use this technique to study a membrane with heterogeneity and different boundary conditions. I also use this technique to study solid membranes by taking account of the non-linear coupling of in-plane strains with out-of-plane deflections using a penalty energy, and apply it to graphene, an ultra-thin two-dimensional solid. The scaling of graphene fluctuations with membrane size is recovered. I am able to capture the dependence of the thermal expansion coefficient of graphene on temperature. Next, I study curvature mediated interactions between inclusions in membranes. I assume the inclusions to be rigid, and show that the elastic and entropic forces between them can compete to yield a local maximum in the free energy if the membrane bending modulus is small. If the spacing between the inclusions is less than this local maximum then the attractive entropic forces dominate and the separation between the inclusions will be determined by short range interactions; if the spacing is more than the local maximum then the elastic repulsive forces dominate and the inclusions will move further apart. This technique can be extended to account for entropic effects in other methods which rely on quadratic energies to study the interactions of inclusions in membranes. In the second part of this thesis I study the compression response of two fiber network materials--blood clots and carbon nanotube forests. The stress-strain curve of both materials reveals four characteristic regions, for compression-decompression: 1) linear elastic region; 2) upper plateau or softening region; 3) non-linear elastic region or re-stretching of the network; 4) lower plateau in which dissociation of some newly made connections occurs. This response is described by a phase transition based continuum model. The model is inspired by the observation of one or more moving interfaces across which densified and rarefied phases of fibers co-exist. I use a quasi-static version of the Abeyaratne-Knowles theory of phase transitions for continua with a stick-slip type kinetic law and a nucleation criterion based on the critical stress for buckling to describe the formation and motion of these interfaces in uniaxial compression experiments. Our models could aid the design of biomaterials and carbon nanotube forests to have desired mechanical properties and guide further understanding of their behavior under large deformations.

  18. Deformation behaviors of three-dimensional graphene honeycombs under out-of-plane compression: Atomistic simulations and predictive modeling

    NASA Astrophysics Data System (ADS)

    Meng, Fanchao; Chen, Cheng; Hu, Dianyin; Song, Jun

    2017-12-01

    Combining atomistic simulations and continuum modeling, a comprehensive study of the out-of-plane compressive deformation behaviors of equilateral three-dimensional (3D) graphene honeycombs was performed. It was demonstrated that under out-of-plane compression, the honeycomb exhibits two critical deformation events, i.e., elastic mechanical instability (including elastic buckling and structural transformation) and inelastic structural collapse. The above events were shown to be strongly dependent on the honeycomb cell size and affected by the local atomic bonding at the cell junction. By treating the 3D graphene honeycomb as a continuum cellular solid, and accounting for the structural heterogeneity and constraint at the junction, a set of analytical models were developed to accurately predict the threshold stresses corresponding to the onset of those deformation events. The present study elucidates key structure-property relationships of 3D graphene honeycombs under out-of-plane compression, and provides a comprehensive theoretical framework to predictively analyze their deformation responses, and more generally, offers critical new knowledge for the rational bottom-up design of 3D networks of two-dimensional nanomaterials.

  19. Linear and Nonlinear Elasticity of Networks Made of Comb-like Polymers and Bottle-Brushes

    NASA Astrophysics Data System (ADS)

    Liang, H.; Dobrynin, A.; Everhart, M.; Daniel, W.; Vatankhah-Varnoosfaderani, M.; Sheiko, S.

    We study mechanical properties of networks made of combs and bottle-brushes by computer simulations, theoretical calculations and experimental techniques. The networks are prepared by cross-linking backbones of combs or bottle-brushes with linear chains. This results in ``hybrid'' networks consisting of linear chains and strands of combs or bottle-brushes. In the framework of the phantom network model, the network modulus at small deformations G0 can be represented as a sum of contributions from linear chains, G0 , l, and strands of comb or bottle-brush, G0 , bb. If the length of extended backbone between crosslinks, Rmax, is much longer than the Kuhn length, bk, the modulus scales with the degree of polymerization of the side chains, nsc, and number of monomers between side chains, ng, as G0 , bb (nsc/ng + 1)-1. In the limit when bk becomes of the order of Rmax, the combs and bottle-brushes can be considered as semiflexible chains, resulting in a network modulus to be G0 , bb (nsc/ng + 1)-1(nsc2/2/ng) . In the nonlinear deformation regime, the strain-hardening behavior is described by the nonlinear network deformation model, which predicts that the true stress is a universal function of the structural modulus, G, first strain invariant, I1, and deformation ratio, β. The results of the computer simulations and predictions of the theoretical model are in a good agreement with experimental results. NSF DMR-1409710, DMR-1407645, DMR-1624569, DMR-1436201.

  20. Simulation Study of Impact of Aeroelastic Characteristics on Flying Qualities of a High Speed Civil Transport

    NASA Technical Reports Server (NTRS)

    Raney, David L.; Jackson, E. Bruce; Buttrill, Carey S.

    2002-01-01

    A piloted simulation study conducted in NASA Langley Visual Motion Simulator addressed the impact of dynamic aero- servoelastic effects on flying qualities of a High Speed Civil Transport. The intent was to determine effectiveness of measures to reduce the impact of aircraft flexibility on piloting tasks. Potential solutions examined were increasing frequency of elastic modes through structural stiffening, increasing damping of elastic modes through active control, elimination of control effector excitation of the lowest frequency elastic modes, and elimination of visual cues associated with elastic modes. Six test pilots evaluated and performed simulated maneuver tasks, encountering incidents wherein cockpit vibrations due to elastic modes fed back into the control stick through involuntary vibrations of the pilots upper body and arm. Structural stiffening and compensation of the visual display were of little benefit in alleviating this impact, while increased damping and elimination of control effector excitation of the elastic modes both offered great improvements when applied in sufficient degree.

  1. Elasticity in Physically Cross-Linked Amyloid Fibril Networks.

    PubMed

    Cao, Yiping; Bolisetty, Sreenath; Adamcik, Jozef; Mezzenga, Raffaele

    2018-04-13

    We provide a constitutive model of semiflexible and rigid amyloid fibril networks by combining the affine thermal model of network elasticity with the Derjaguin-Landau-Vervey-Overbeek (DLVO) theory of electrostatically charged colloids. When compared to rheological experiments on β-lactoglobulin and lysozyme amyloid networks, this approach provides the correct scaling of elasticity versus both concentration (G∼c^{2.2} and G∼c^{2.5} for semiflexible and rigid fibrils, respectively) and ionic strength (G∼I^{4.4} and G∼I^{3.8} for β-lactoglobulin and lysozyme, independent from fibril flexibility). The pivotal role played by the screening salt is to reduce the electrostatic barrier among amyloid fibrils, converting labile physical entanglements into long-lived cross-links. This gives a power-law behavior of G with I having exponents significantly larger than in other semiflexible polymer networks (e.g., actin) and carrying DLVO traits specific to the individual amyloid fibrils.

  2. Elasticity in Physically Cross-Linked Amyloid Fibril Networks

    NASA Astrophysics Data System (ADS)

    Cao, Yiping; Bolisetty, Sreenath; Adamcik, Jozef; Mezzenga, Raffaele

    2018-04-01

    We provide a constitutive model of semiflexible and rigid amyloid fibril networks by combining the affine thermal model of network elasticity with the Derjaguin-Landau-Vervey-Overbeek (DLVO) theory of electrostatically charged colloids. When compared to rheological experiments on β -lactoglobulin and lysozyme amyloid networks, this approach provides the correct scaling of elasticity versus both concentration (G ˜c2.2 and G ˜c2.5 for semiflexible and rigid fibrils, respectively) and ionic strength (G ˜I4.4 and G ˜I3.8 for β -lactoglobulin and lysozyme, independent from fibril flexibility). The pivotal role played by the screening salt is to reduce the electrostatic barrier among amyloid fibrils, converting labile physical entanglements into long-lived cross-links. This gives a power-law behavior of G with I having exponents significantly larger than in other semiflexible polymer networks (e.g., actin) and carrying DLVO traits specific to the individual amyloid fibrils.

  3. Design and deployment of an elastic network test-bed in IHEP data center based on SDN

    NASA Astrophysics Data System (ADS)

    Zeng, Shan; Qi, Fazhi; Chen, Gang

    2017-10-01

    High energy physics experiments produce huge amounts of raw data, while because of the sharing characteristics of the network resources, there is no guarantee of the available bandwidth for each experiment which may cause link congestion problems. On the other side, with the development of cloud computing technologies, IHEP have established a cloud platform based on OpenStack which can ensure the flexibility of the computing and storage resources, and more and more computing applications have been deployed on virtual machines established by OpenStack. However, under the traditional network architecture, network capability can’t be required elastically, which becomes the bottleneck of restricting the flexible application of cloud computing. In order to solve the above problems, we propose an elastic cloud data center network architecture based on SDN, and we also design a high performance controller cluster based on OpenDaylight. In the end, we present our current test results.

  4. Prestressed F-actin networks cross-linked by hinged filamins replicate mechanical properties of cells

    NASA Astrophysics Data System (ADS)

    Gardel, M. L.; Nakamura, F.; Hartwig, J. H.; Crocker, J. C.; Stossel, T. P.; Weitz, D. A.

    2006-02-01

    We show that actin filaments, shortened to physiological lengths by gelsolin and cross-linked with recombinant human filamins (FLNs), exhibit dynamic elastic properties similar to those reported for live cells. To achieve elasticity values of comparable magnitude to those of cells, the in vitro network must be subjected to external prestress, which directly controls network elasticity. A molecular requirement for the strain-related behavior at physiological conditionsis a flexible hinge found in FLNa and some FLNb molecules. Basic physical properties of the in vitro filamin-F-actin network replicate the essential mechanical properties of living cells. This physical behavior could accommodate passive deformation and internal organelle trafficking at low strains yet resist externally or internally generated high shear forces. cytoskeleton | cell mechanics | nonlinear rheology

  5. Proline induced disruption of the structure and dynamics of water.

    PubMed

    Yu, Dehong; Hennig, Marcus; Mole, Richard A; Li, Ji Chen; Wheeler, Cheryl; Strässle, Thierry; Kearley, Gordon J

    2013-12-21

    We use quasi-elastic neutron scattering spectroscopy to study the diffusive motion of water molecules at ambient temperature as a function of the solute molar fraction of the amino acid, proline. We validate molecular dynamics simulations against experimental quasielastic neutron scattering data and then use the simulations to reveal, and understand, a strong dependence of the translational self-diffusion coefficient of water on the distance to the amino acid molecule. An analysis based on the juxtaposition of water molecules in the simulation shows that the rigidity of proline imposes itself on the local water structure, which disrupts the hydrogen-bond network of water leading to an increase in the mean lifetime of hydrogen bonds. The net effect is some distortion of the proline molecule and a slowing down of the water mobility.

  6. Modeling the Interaction Between Hydraulic and Natural Fractures Using Dual-Lattice Discrete Element Method

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

    Zhou, Jing; Huang, Hai; Deo, Milind

    The interaction between hydraulic fractures (HF) and natural fractures (NF) will lead to complex fracture networks due to the branching and merging of natural and hydraulic fractures in unconventional reservoirs. In this paper, a newly developed hydraulic fracturing simulator based on discrete element method is used to predict the generation of complex fracture network in the presence of pre-existing natural fractures. By coupling geomechanics and reservoir flow within a dual lattice system, this simulator can effectively capture the poro-elastic effects and fluid leakoff into the formation. When HFs are intercepting single or multiple NFs, complex mechanisms such as direct crossing,more » arresting, dilating and branching can be simulated. Based on the model, the effects of injected fluid rate and viscosity, the orientation and permeability of NFs and stress anisotropy on the HF-NF interaction process are investigated. Combined impacts from multiple parameters are also examined in the paper. The numerical results show that large values of stress anisotropy, intercepting angle, injection rate and viscosity will impede the opening of NFs.« less

  7. Manycast routing, modulation level and spectrum assignment over elastic optical networks

    NASA Astrophysics Data System (ADS)

    Luo, Xiao; Zhao, Yang; Chen, Xue; Wang, Lei; Zhang, Min; Zhang, Jie; Ji, Yuefeng; Wang, Huitao; Wang, Taili

    2017-07-01

    Manycast is a point to multi-point transmission framework that requires a subset of destination nodes successfully reached. It is particularly applicable for dealing with large amounts of data simultaneously in bandwidth-hungry, dynamic and cloud-based applications. As rapid increasing of traffics in these applications, the elastic optical networks (EONs) may be relied on to achieve high throughput manycast. In terms of finer spectrum granularity, the EONs could reach flexible accessing to network spectrum and efficient providing exact spectrum resource to demands. In this paper, we focus on the manycast routing, modulation level and spectrum assignment (MA-RMLSA) problem in EONs. Both EONs planning with static manycast traffic and EONs provisioning with dynamic manycast traffic are investigated. An integer linear programming (ILP) model is formulated to derive MA-RMLSA problem in static manycast scenario. Then corresponding heuristic algorithm called manycast routing, modulation level and spectrum assignment genetic algorithm (MA-RMLSA-GA) is proposed to adapt for both static and dynamic manycast scenarios. The MA-RMLSA-GA optimizes MA-RMLSA problem in destination nodes selection, routing light-tree constitution, modulation level allocation and spectrum resource assignment jointly, to achieve an effective improvement in network performance. Simulation results reveal that MA-RMLSA strategies offered by MA-RMLSA-GA have slightly disparity from the optimal solutions provided by ILP model in static scenario. Moreover, the results demonstrate that MA-RMLSA-GA realizes a highly efficient MA-RMLSA strategy with the lowest blocking probability in dynamic scenario compared with benchmark algorithms.

  8. Soft hydrogel materials from elastomeric gluten-mimetic proteins

    NASA Astrophysics Data System (ADS)

    Bagheri, Mehran; Scott, Shane; Wan, Fan; Dick, Scott; Harden, James; Biomolecular Assemblies Team

    2014-03-01

    Elastomeric proteins are ubiquitous in both animal and plant tissues, where they are responsible for the elastic response and mechanical resilience of tissues. In addition to fundamental interest in the molecular origins of their elastic behaviour, this class of proteins has great potential for use in biomaterial applications. The structural and elastomeric properties of these proteins are thought to be controlled by a subtle balance between hydrophobic interactions and entropic effects, and in many cases their characteristic properties can be recapitulated by multi-block protein polymers formed from repeats of short, characteristic polypeptide motifs. We have developed biomimetic multi-block protein polymers based on variants of several elastomeric gluten consensus sequences. These proteins include constituents designed to maximize their solubility in aqueous solution and minimize the formation of extended secondary structure. Thus, they are examples of elastic intrinsically disordered proteins. In addition, the proteins have distributed tyrosine residues which allow for inter-molecular crosslinking to form hydrogel networks. In this talk, we present experimental and simulation studies of the molecular and materials properties of these proteins and their assemblies.

  9. Normal mode-guided transition pathway generation in proteins

    PubMed Central

    Lee, Byung Ho; Seo, Sangjae; Kim, Min Hyeok; Kim, Youngjin; Jo, Soojin; Choi, Moon-ki; Lee, Hoomin; Choi, Jae Boong

    2017-01-01

    The biological function of proteins is closely related to its structural motion. For instance, structurally misfolded proteins do not function properly. Although we are able to experimentally obtain structural information on proteins, it is still challenging to capture their dynamics, such as transition processes. Therefore, we need a simulation method to predict the transition pathways of a protein in order to understand and study large functional deformations. Here, we present a new simulation method called normal mode-guided elastic network interpolation (NGENI) that performs normal modes analysis iteratively to predict transition pathways of proteins. To be more specific, NGENI obtains displacement vectors that determine intermediate structures by interpolating the distance between two end-point conformations, similar to a morphing method called elastic network interpolation. However, the displacement vector is regarded as a linear combination of the normal mode vectors of each intermediate structure, in order to enhance the physical sense of the proposed pathways. As a result, we can generate more reasonable transition pathways geometrically and thermodynamically. By using not only all normal modes, but also in part using only the lowest normal modes, NGENI can still generate reasonable pathways for large deformations in proteins. This study shows that global protein transitions are dominated by collective motion, which means that a few lowest normal modes play an important role in this process. NGENI has considerable merit in terms of computational cost because it is possible to generate transition pathways by partial degrees of freedom, while conventional methods are not capable of this. PMID:29020017

  10. A collagen and elastic network in the wing of the bat.

    PubMed

    Holbrook, K A; Odland, G F

    1978-05-01

    Bundles of collagen fibrils, elastic fibres and fibroblasts are organized into a network that lies in the plane of a large portion of the bat wing. By ultrastructural (TEM and SEM) and biochemical analyses it was found that individual bundles of the net are similar to elastic ligaments. Although elastic fibres predominate, they are integrated and aligned in parallel with small bundles of collagen. A reticulum of fibroblasts, joined by focal junctions, forms a cellular framework throughout each bundle. Because of the unique features of the fibre bundles of the bat's wing, in particular their accessibility, and the parallel alignment of the collagen fibrils and elastic fibres in each easily isolatable fibre bundle, they should prove a most valuable model for connective tissue studies, particularly for the study of collagen-elastin interactions.

  11. The Application of Simulation Method in Isothermal Elastic Natural Gas Pipeline

    NASA Astrophysics Data System (ADS)

    Xing, Chunlei; Guan, Shiming; Zhao, Yue; Cao, Jinggang; Chu, Yanji

    2018-02-01

    This Elastic pipeline mathematic model is of crucial importance in natural gas pipeline simulation because of its compliance with the practical industrial cases. The numerical model of elastic pipeline will bring non-linear complexity to the discretized equations. Hence the Newton-Raphson method cannot achieve fast convergence in this kind of problems. Therefore A new Newton Based method with Powell-Wolfe Condition to simulate the Isothermal elastic pipeline flow is presented. The results obtained by the new method aregiven based on the defined boundary conditions. It is shown that the method converges in all cases and reduces significant computational cost.

  12. Modeling the growth and interaction of stylolite networks, using the discrete element method for pressure solution

    NASA Astrophysics Data System (ADS)

    Makedonska, N.; Sparks, D. W.; Aharonov, E.

    2012-12-01

    Pressure solution (also termed chemical compaction) is considered the most important ductile deformation mechanism operating in the Earth's upper crust. This mechanism is a major player in a variety of geological processes, including evolution of sedimentary basins, hydrocarbon reservoirs, aquifers, earthquake recurrence cycles, and fault healing. Pressure solution in massive rocks often localizes into solution seams or stylolites. Field observations of stylolites often show elastic/brittle interactions in regions between pressure solution features, including and shear fractures, veins and pull-apart features. To understand these interactions, we use a grain-scale model based on the Discrete Element Method that allows granular dissolution at stressed contacts between grains. The new model captures both the slow chemical compaction process and the more abrupt brittle fracturing and sliding between grains. We simulate a sample of rock as a collection of particles, each representing either a grain or a unit of rock, bonded to each other with breakable cement. We apply external stresses to this sample, and calculate elastic and frictional interactions between the grains. Dissolution is modeled by an irreversible penetration of contacting grains into each other at a rate that depends on the contact stress and an adjustable rate constant. Experiments have shown that dissolution rates at grain contacts are greatly enhanced when there is a mineralogical contrast. Therefore, we dissolution rate constant can be increased to account for an amount of impurities (e.g. clay in a quartz or calcite sandstone) that can accumulate on dissolving contacts. This approach allows large compaction and shear strains within the rock, while allowing examination of local grain-scale heterogeneity. For example, we will describe the effect of pressure solution on the distribution of contact forces magnitudes and orientations. Contact forces in elastic granular packings are inherently heteregeneous, but stress-dependent dissolution tends to equalize them. We apply our model to the simulation of stylolite networks, particularly the interaction of stylolite tips. The stress concentrations from these tips are transmitted through the intervening rock, which can cause elastic strain, brittle damage and frictional sliding. Our model shows that grain rearrangement and compaction rate depend on the surface friction coefficient of grains. Simulation results show the development of shear zones between stylolites, and a high porosity process zone at the tips of stylolites. These features, which have been observed in field studies, are modeled and predicted for the first time. This modeling tool holds a promise to provide many new insights regarding the coupling between pressure solution and brittle deformation, i.e. between mechanical and chemical compaction.

  13. Refined elasticity sampling for Monte Carlo-based identification of stabilizing network patterns.

    PubMed

    Childs, Dorothee; Grimbs, Sergio; Selbig, Joachim

    2015-06-15

    Structural kinetic modelling (SKM) is a framework to analyse whether a metabolic steady state remains stable under perturbation, without requiring detailed knowledge about individual rate equations. It provides a representation of the system's Jacobian matrix that depends solely on the network structure, steady state measurements, and the elasticities at the steady state. For a measured steady state, stability criteria can be derived by generating a large number of SKMs with randomly sampled elasticities and evaluating the resulting Jacobian matrices. The elasticity space can be analysed statistically in order to detect network positions that contribute significantly to the perturbation response. Here, we extend this approach by examining the kinetic feasibility of the elasticity combinations created during Monte Carlo sampling. Using a set of small example systems, we show that the majority of sampled SKMs would yield negative kinetic parameters if they were translated back into kinetic models. To overcome this problem, a simple criterion is formulated that mitigates such infeasible models. After evaluating the small example pathways, the methodology was used to study two steady states of the neuronal TCA cycle and the intrinsic mechanisms responsible for their stability or instability. The findings of the statistical elasticity analysis confirm that several elasticities are jointly coordinated to control stability and that the main source for potential instabilities are mutations in the enzyme alpha-ketoglutarate dehydrogenase. © The Author 2015. Published by Oxford University Press.

  14. Coevolution of Epidemics, Social Networks, and Individual Behavior: A Case Study

    NASA Astrophysics Data System (ADS)

    Chen, Jiangzhuo; Marathe, Achla; Marathe, Madhav

    This research shows how a limited supply of antivirals can be distributed optimally between the hospitals and the market so that the attack rate is minimized and enough revenue is generated to recover the cost of the antivirals. Results using an individual based model find that prevalence elastic demand behavior delays the epidemic and change in the social contact network induced by isolation reduces the peak of the epidemic significantly. A microeconomic analysis methodology combining behavioral economics and agent-based simulation is a major contribution of this work. In this paper we apply this methodology to analyze the fairness of the stockpile distribution, and the response of human behavior to disease prevalence level and its interaction with the market.

  15. Lightweight Object Oriented Structure analysis: Tools for building Tools to Analyze Molecular Dynamics Simulations

    PubMed Central

    Romo, Tod D.; Leioatts, Nicholas; Grossfield, Alan

    2014-01-01

    LOOS (Lightweight Object-Oriented Structure-analysis) is a C++ library designed to facilitate making novel tools for analyzing molecular dynamics simulations by abstracting out the repetitive tasks, allowing developers to focus on the scientifically relevant part of the problem. LOOS supports input using the native file formats of most common biomolecular simulation packages, including CHARMM, NAMD, Amber, Tinker, and Gromacs. A dynamic atom selection language based on the C expression syntax is included and is easily accessible to the tool-writer. In addition, LOOS is bundled with over 120 pre-built tools, including suites of tools for analyzing simulation convergence, 3D histograms, and elastic network models. Through modern C++ design, LOOS is both simple to develop with (requiring knowledge of only 4 core classes and a few utility functions) and is easily extensible. A python interface to the core classes is also provided, further facilitating tool development. PMID:25327784

  16. Lightweight object oriented structure analysis: tools for building tools to analyze molecular dynamics simulations.

    PubMed

    Romo, Tod D; Leioatts, Nicholas; Grossfield, Alan

    2014-12-15

    LOOS (Lightweight Object Oriented Structure-analysis) is a C++ library designed to facilitate making novel tools for analyzing molecular dynamics simulations by abstracting out the repetitive tasks, allowing developers to focus on the scientifically relevant part of the problem. LOOS supports input using the native file formats of most common biomolecular simulation packages, including CHARMM, NAMD, Amber, Tinker, and Gromacs. A dynamic atom selection language based on the C expression syntax is included and is easily accessible to the tool-writer. In addition, LOOS is bundled with over 140 prebuilt tools, including suites of tools for analyzing simulation convergence, three-dimensional histograms, and elastic network models. Through modern C++ design, LOOS is both simple to develop with (requiring knowledge of only four core classes and a few utility functions) and is easily extensible. A python interface to the core classes is also provided, further facilitating tool development. © 2014 Wiley Periodicals, Inc.

  17. Resonant Column Tests and Nonlinear Elasticity in Simulated Rocks

    NASA Astrophysics Data System (ADS)

    Sebastian, Resmi; Sitharam, T. G.

    2018-01-01

    Rocks are generally regarded as linearly elastic even though the manifestations of nonlinearity are prominent. The variations of elastic constants with varying strain levels and stress conditions, disagreement between static and dynamic moduli, etc., are some of the examples of nonlinear elasticity in rocks. The grain-to-grain contact, presence of pores and joints along with other compliant features induce the nonlinear behavior in rocks. The nonlinear elastic behavior of rocks is demonstrated through resonant column tests and numerical simulations in this paper. Resonant column tests on intact and jointed gypsum samples across varying strain levels have been performed in laboratory and using numerical simulations. The paper shows the application of resonant column apparatus to obtain the wave velocities of stiff samples at various strain levels under long wavelength condition, after performing checks and incorporating corrections to the obtained resonant frequencies. The numerical simulation and validation of the resonant column tests using distinct element method are presented. The stiffness reductions of testing samples under torsional and flexural vibrations with increasing strain levels have been analyzed. The nonlinear elastic behavior of rocks is reflected in the results, which is enhanced by the presence of joints. The significance of joint orientation and influence of joint spacing during wave propagation have also been assessed and presented using the numerical simulations. It has been found that rock joints also exhibit nonlinear behavior within the elastic limit.

  18. Structural Health Monitoring of a Composite Panel Based on PZT Sensors and a Transfer Impedance Framework.

    PubMed

    Dziendzikowski, Michal; Niedbala, Patryk; Kurnyta, Artur; Kowalczyk, Kamil; Dragan, Krzysztof

    2018-05-11

    One of the ideas for development of Structural Health Monitoring (SHM) systems is based on excitation of elastic waves by a network of PZT piezoelectric transducers integrated with the structure. In the paper, a variant of the so-called Transfer Impedance (TI) approach to SHM is followed. Signal characteristics, called the Damage Indices (DIs), were proposed for data presentation and analysis. The idea underlying the definition of DIs was to maintain most of the information carried by the voltage induced on PZT sensors by elastic waves. In particular, the DIs proposed in the paper should be sensitive to all types of damage which can influence the amplitude or the phase of the voltage induced on the sensor. Properties of the proposed DIs were investigated experimentally using a GFRP composite panel equipped with PZT networks attached to its surface and embedded into its internal structure. Repeatability and stability of DI indications under controlled conditions were verified in tests. Also, some performance indicators for surface-attached and structure-embedded sensors were obtained. The DIs' behavior was dependent mostly on the presence of a simulated damage in the structure. Anisotropy of mechanical properties of the specimen, geometrical properties of PZT network as well as, to some extent, the technology of sensor integration with the structure were irrelevant for damage indication. This property enables the method to be used for damage detection and classification.

  19. Quantifying Rock Weakening Due to Decreasing Calcite Mineral Content by Numerical Simulations

    PubMed Central

    2018-01-01

    The quantification of changes in geomechanical properties due to chemical reactions is of paramount importance for geological subsurface utilisation, since mineral dissolution generally reduces rock stiffness. In the present study, the effective elastic moduli of two digital rock samples, the Fontainebleau and Bentheim sandstones, are numerically determined based on micro-CT images. Reduction in rock stiffness due to the dissolution of 10% calcite cement by volume out of the pore network is quantified for three synthetic spatial calcite distributions (coating, partial filling and random) using representative sub-cubes derived from the digital rock samples. Due to the reduced calcite content, bulk and shear moduli decrease by 34% and 38% in maximum, respectively. Total porosity is clearly the dominant parameter, while spatial calcite distribution has a minor impact, except for a randomly chosen cement distribution within the pore network. Moreover, applying an initial stiffness reduced by 47% for the calcite cement results only in a slightly weaker mechanical behaviour. Using the quantitative approach introduced here substantially improves the accuracy of predictions in elastic rock properties compared to general analytical methods, and further enables quantification of uncertainties related to spatial variations in porosity and mineral distribution. PMID:29614776

  20. Quantifying Rock Weakening Due to Decreasing Calcite Mineral Content by Numerical Simulations.

    PubMed

    Wetzel, Maria; Kempka, Thomas; Kühn, Michael

    2018-04-01

    The quantification of changes in geomechanical properties due to chemical reactions is of paramount importance for geological subsurface utilisation, since mineral dissolution generally reduces rock stiffness. In the present study, the effective elastic moduli of two digital rock samples, the Fontainebleau and Bentheim sandstones, are numerically determined based on micro-CT images. Reduction in rock stiffness due to the dissolution of 10% calcite cement by volume out of the pore network is quantified for three synthetic spatial calcite distributions (coating, partial filling and random) using representative sub-cubes derived from the digital rock samples. Due to the reduced calcite content, bulk and shear moduli decrease by 34% and 38% in maximum, respectively. Total porosity is clearly the dominant parameter, while spatial calcite distribution has a minor impact, except for a randomly chosen cement distribution within the pore network. Moreover, applying an initial stiffness reduced by 47% for the calcite cement results only in a slightly weaker mechanical behaviour. Using the quantitative approach introduced here substantially improves the accuracy of predictions in elastic rock properties compared to general analytical methods, and further enables quantification of uncertainties related to spatial variations in porosity and mineral distribution.

  1. Including Delbrück scattering in GEANT4

    NASA Astrophysics Data System (ADS)

    Omer, Mohamed; Hajima, Ryoichi

    2017-08-01

    Elastic scattering of γ-rays is a significant interaction among γ-ray interactions with matter. Therefore, the planning of experiments involving measurements of γ-rays using Monte Carlo simulations usually includes elastic scattering. However, current simulation tools do not provide a complete picture of elastic scattering. The majority of these tools assume Rayleigh scattering is the primary contributor to elastic scattering and neglect other elastic scattering processes, such as nuclear Thomson and Delbrück scattering. Here, we develop a tabulation-based method to simulate elastic scattering in one of the most common open-source Monte Carlo simulation toolkits, GEANT4. We collectively include three processes, Rayleigh scattering, nuclear Thomson scattering, and Delbrück scattering. Our simulation more appropriately uses differential cross sections based on the second-order scattering matrix instead of current data, which are based on the form factor approximation. Moreover, the superposition of these processes is carefully taken into account emphasizing the complex nature of the scattering amplitudes. The simulation covers an energy range of 0.01 MeV ≤ E ≤ 3 MeV and all elements with atomic numbers of 1 ≤ Z ≤ 99. In addition, we validated our simulation by comparing the differential cross sections measured in earlier experiments with those extracted from the simulations. We find that the simulations are in good agreement with the experimental measurements. Differences between the experiments and the simulations are 21% for uranium, 24% for lead, 3% for tantalum, and 8% for cerium at 2.754 MeV. Coulomb corrections to the Delbrück amplitudes may account for the relatively large differences that appear at higher Z values.

  2. Elastic behavior of brain simulants in comparison to porcine brain at different loading velocities.

    PubMed

    Falland-Cheung, Lisa; Scholze, Mario; Hammer, Niels; Waddell, J Neil; Tong, Darryl C; Brunton, Paul A

    2018-01-01

    Blunt force impacts to the head and the resulting internal force transmission to the brain and other cranial tissue are difficult to measure. To model blunt force impact scenarios, the compressive properties resembling tissue elasticity are of importance. Therefore, this study investigated and compared the elastic behavior of gelatin, alginate, agar/glycerol and agar/glycerol/water simulant materials to that of porcine brain in a fresh and unfixed condition. Specimens, 10 × 10 × 10mm 3 , were fabricated and tested at 22°C, apart from gelatin which was conditioned to 4°C prior to testing. For comparison, fresh porcine brains were sourced and prepared to the same dimensions as the simulants. Specimens underwent compression tests at crosshead displacement rates of 2.5, 10 and 16mms -1 (equivalent to strain rates of 0.25, 1 and 1.6s -1 ), obtaining apparent elastic moduli values at different strain rate intervals (0-0.2, 0.2-0.4 and 0.4-0.5). The results of this study indicate that overall all simulant materials had an apparent elastic moduli similar in magnitude across all strain ranges compared to brain, even though comparatively higher, especially the apparent elastic moduli values of alginate. In conclusion, while agar/glycerol/water and agar/glycerol had similar apparent elastic moduli in magnitude and the closest apparent elastic moduli in the initial strain range (E 1 ), gelatin showed the most similar values to fresh porcine brain at the transitional (E 2 ) and higher strain range (E 3 ). The simulant materials and the fresh porcine brain exhibited strain rate dependent behavior, with increasing elastic moduli upon increasing loading velocities. Copyright © 2017 Elsevier Ltd. All rights reserved.

  3. Application of ANNs approach for wave-like and heat-like equations

    NASA Astrophysics Data System (ADS)

    Jafarian, Ahmad; Baleanu, Dumitru

    2017-12-01

    Artificial neural networks are data processing systems which originate from human brain tissue studies. The remarkable abilities of these networks help us to derive desired results from complicated raw data. In this study, we intend to duplicate an efficient iterative method to the numerical solution of two famous partial differential equations, namely the wave-like and heat-like problems. It should be noted that many physical phenomena such as coupling currents in a flat multi-strand two-layer super conducting cable, non-homogeneous elastic waves in soils and earthquake stresses, are described by initial-boundary value wave and heat partial differential equations with variable coefficients. To the numerical solution of these equations, a combination of the power series method and artificial neural networks approach, is used to seek an appropriate bivariate polynomial solution of the mentioned initial-boundary value problem. Finally, several computer simulations confirmed the theoretical results and demonstrating applicability of the method.

  4. Simulations of laser thrombolysis

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

    Chapyak, E.J.; Godwin, R.P.

    1999-03-01

    The authors have shown that bubble expansion and collapse near the interface between two materials with modest property differences produces jet-like interpenetration of the two materials. The bubble dynamics at a water-viscous fluid interface is compared with that at the interface of water with a weak elastic-plastic material. The authors find that, despite rather similar behavior during bubble growth and the initial portion of bubble collapse, the terminal jetting behavior is quite different, even in direction. The elastic-plastic properties chosen realistically represent real and surrogate thrombus. Simulations using the elastic-plastic model quantitatively agree with laboratory thrombolysis mass removal experiments. Inmore » the earlier simulations of laboratory experiments, walls have been remote so as to not effect the dynamics. Here the authors present two-dimensional simulations of thrombolysis with water over elastic-plastic surrogate thrombus in a geometry representative of the clinical situation. The calculations include thin cylindrical elastic walls with properties and dimensions appropriate for arteries. The presence of these artery walls does not substantially change the interface jetting predicted in unconfined simulations.« less

  5. Dynamic optical resource allocation for mobile core networks with software defined elastic optical networking.

    PubMed

    Zhao, Yongli; Chen, Zhendong; Zhang, Jie; Wang, Xinbo

    2016-07-25

    Driven by the forthcoming of 5G mobile communications, the all-IP architecture of mobile core networks, i.e. evolved packet core (EPC) proposed by 3GPP, has been greatly challenged by the users' demands for higher data rate and more reliable end-to-end connection, as well as operators' demands for low operational cost. These challenges can be potentially met by software defined optical networking (SDON), which enables dynamic resource allocation according to the users' requirement. In this article, a novel network architecture for mobile core network is proposed based on SDON. A software defined network (SDN) controller is designed to realize the coordinated control over different entities in EPC networks. We analyze the requirement of EPC-lightpath (EPCL) in data plane and propose an optical switch load balancing (OSLB) algorithm for resource allocation in optical layer. The procedure of establishment and adjustment of EPCLs is demonstrated on a SDON-based EPC testbed with extended OpenFlow protocol. We also evaluate the OSLB algorithm through simulation in terms of bandwidth blocking ratio, traffic load distribution, and resource utilization ratio compared with link-based load balancing (LLB) and MinHops algorithms.

  6. Efficiency gain from elastic optical networks

    NASA Astrophysics Data System (ADS)

    Morea, Annalisa; Rival, Olivier

    2011-12-01

    We compare the cost-efficiency of optical networks based on mixed datarates (10, 40, 100Gb/s) and datarateelastic technologies. A European backbone network is examined under various traffic assumptions (volume of transported data per demand and total number of demands) to better understand the impact of traffic characteristics on cost-efficiency. Network dimensioning is performed for static and restorable networks (resilient to one-link failure). In this paper we will investigate the trade-offs between price of interfaces, reach and reconfigurability, showing that elastic solutions can be more cost-efficient than mixed-rate solutions because of the better compatibility between different datarates, increased reach of channels and simplified wavelength allocation.

  7. A study of self-propelled elastic cylindrical micro-swimmers using modeling and computation

    NASA Astrophysics Data System (ADS)

    Shi, Lingling; Čanić, Sunčica; Quaini, Annalisa; Pan, Tsorng-Whay

    2016-06-01

    We study propulsion of micro-swimmers in 3D creeping flow. The swimmers are assumed to be made of elastic cylindrical hollow tubes. The swimming is generated by the contractions of the tube's elastic membrane walls producing a traveling wave in the form of a ;step-function; traversing the swimmer from right to left, propelling the swimmer from left to right. The problem is motivated by medical applications such as drug delivery. The influence of several non-dimensional design parameters on the velocity of the swimmer is investigated, including the swimmer aspect ratio, and the amplitude of the traveling wave relative to the swimmer radius. An immersed boundary method based on a finite element method approach is successfully combined with an elastic spring network model to simulate the two-way fluid-structure interaction coupling between the elastic cylindrical tube and the flow of a 3D viscous, incompressible fluid. To gain a deeper insight into the influence of various parameters on the swimmer speed, a reduced 1D fluid-structure interaction model was derived and validated. It was found that fast swimmers are those with large tube aspect ratios, and with the amplitude of the traveling wave which is roughly 50% of the reference swimmer radius. It was shown that the speed of our ;optimal swimmer; is around 1.5 swimmer lengths per second, which is at the top of the class of all currently manufactured micro-swimmers swimming in low Reynolds number flows (Re =10-6), reported in [11].

  8. A new model linking elastic properties and ionic conductivity of mixed network former glasses.

    PubMed

    Wang, Weimin; Christensen, Randilynn; Curtis, Brittany; Martin, Steve W; Kieffer, John

    2018-01-17

    Glasses are promising candidate materials for all-solid-state electrolytes for rechargeable batteries due to their outstanding mechanical stability, wide electrochemical stability range, and open structure for potentially high conductivity. Mechanical stiffness and ionic conductivity are two key parameters for solid-state electrolytes. In this study, we investigate two mixed-network former glass systems, sodium borosilicate 0.2Na 2 O + 0.8[xBO 1.5 + (1 - x)SiO 2 ] and sodium borogermanate 0.2Na 2 O + 0.8[xBO 1.5 + (1 - x)GeO 2 ] glasses. With mixed-network formers, the structure of the network changes while the network modifier mole fraction is kept constant, i.e., x = 0.2, which allows us to analyze the effect of the network structure on various properties, including ionic conductivity and elastic properties. Besides the non-linear, non-additive mixed glass former effect, we find that the longitudinal, shear and Young's moduli depend on the combined number density of tetrahedrally and octahedrally coordinated network former elements. These units provide connectivity in three dimensions, which is required for the networks to exhibit restoring forces in response to isotropic and shear deformations. Moreover, the activation energy for modifier cation, Na + , migration is strongly correlated with the bulk modulus, suggesting that the elastic strain energy associated with the passageway dilation for the sodium ions is governed by the bulk modulus of the glass. The detailed analysis provided here gives an estimate for the number of atoms in the vicinity of the migrating cation that are affected by elastic deformation during the activated process. The larger this number and the more compliant the glass network, the lower is the activation energy for the cation jump.

  9. Elastic dipoles of point defects from atomistic simulations

    NASA Astrophysics Data System (ADS)

    Varvenne, Céline; Clouet, Emmanuel

    2017-12-01

    The interaction of point defects with an external stress field or with other structural defects is usually well described within continuum elasticity by the elastic dipole approximation. Extraction of the elastic dipoles from atomistic simulations is therefore a fundamental step to connect an atomistic description of the defect with continuum models. This can be done either by a fitting of the point-defect displacement field, by a summation of the Kanzaki forces, or by a linking equation to the residual stress. We perform here a detailed comparison of these different available methods to extract elastic dipoles, and show that they all lead to the same values when the supercell of the atomistic simulations is large enough and when the anharmonic region around the point defect is correctly handled. But, for small simulation cells compatible with ab initio calculations, only the definition through the residual stress appears tractable. The approach is illustrated by considering various point defects (vacancy, self-interstitial, and hydrogen solute atom) in zirconium, using both empirical potentials and ab initio calculations.

  10. Computer Simulation of the Elastic Properties of Titanium Alloys for Medical Applications

    NASA Astrophysics Data System (ADS)

    Estevez, Elsa Paz; Burganova, R. M.; Lysogorskii, Yu. V.

    2016-09-01

    Results of a computer simulation of the elastic properties of α+β- and β-titanium alloys, used for medical purposes, within the framework of the molecular-dynamics method are presented. It is shown that β-titanium alloys are best suited for the use as bone implants because of their small moduli of elasticity. The advisability of the use of the molecular-dynamics method for the study of the elastic properties of titanium alloys, serving as bone implants, is demonstrated.

  11. A model for compression-weakening materials and the elastic fields due to contractile cells

    NASA Astrophysics Data System (ADS)

    Rosakis, Phoebus; Notbohm, Jacob; Ravichandran, Guruswami

    2015-12-01

    We construct a homogeneous, nonlinear elastic constitutive law that models aspects of the mechanical behavior of inhomogeneous fibrin networks. Fibers in such networks buckle when in compression. We model this as a loss of stiffness in compression in the stress-strain relations of the homogeneous constitutive model. Problems that model a contracting biological cell in a finite matrix are solved. It is found that matrix displacements and stresses induced by cell contraction decay slower (with distance from the cell) in a compression weakening material than linear elasticity would predict. This points toward a mechanism for long-range cell mechanosensing. In contrast, an expanding cell would induce displacements that decay faster than in a linear elastic matrix.

  12. Modeling of Propagation of Interacting Cracks Under Hydraulic Pressure Gradient

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

    Huang, Hai; Mattson, Earl Douglas; Podgorney, Robert Karl

    A robust and reliable numerical model for fracture initiation and propagation, which includes the interactions among propagating fractures and the coupling between deformation, fracturing and fluid flow in fracture apertures and in the permeable rock matrix, would be an important tool for developing a better understanding of fracturing behaviors of crystalline brittle rocks driven by thermal and (or) hydraulic pressure gradients. In this paper, we present a physics-based hydraulic fracturing simulator based on coupling a quasi-static discrete element model (DEM) for deformation and fracturing with conjugate lattice network flow model for fluid flow in both fractures and porous matrix. Fracturingmore » is represented explicitly by removing broken bonds from the network to represent microcracks. Initiation of new microfractures and growth and coalescence of the microcracks leads to the formation of macroscopic fractures when external and/or internal loads are applied. The coupled DEM-network flow model reproduces realistic growth pattern of hydraulic fractures. In particular, simulation results of perforated horizontal wellbore clearly demonstrate that elastic interactions among multiple propagating fractures, fluid viscosity, strong coupling between fluid pressure fluctuations within fractures and fracturing, and lower length scale heterogeneities, collectively lead to complicated fracturing patterns.« less

  13. Piezoresistive Sensor with High Elasticity Based on 3D Hybrid Network of Sponge@CNTs@Ag NPs.

    PubMed

    Zhang, Hui; Liu, Nishuang; Shi, Yuling; Liu, Weijie; Yue, Yang; Wang, Siliang; Ma, Yanan; Wen, Li; Li, Luying; Long, Fei; Zou, Zhengguang; Gao, Yihua

    2016-08-31

    Pressure sensors with high elasticity are in great demand for the realization of intelligent sensing, but there is a need to develope a simple, inexpensive, and scalable method for the manufacture of the sensors. Here, we reported an efficient, simple, facile, and repeatable "dipping and coating" process to manufacture a piezoresistive sensor with high elasticity, based on homogeneous 3D hybrid network of carbon nanotubes@silver nanoparticles (CNTs@Ag NPs) anchored on a skeleton sponge. Highly elastic, sensitive, and wearable sensors are obtained using the porous structure of sponge and the synergy effect of CNTs/Ag NPs. Our sensor was also tested for over 2000 compression-release cycles, exhibiting excellent elasticity and cycling stability. Sensors with high performance and a simple fabrication process are promising devices for commercial production in various electronic devices, for example, sport performance monitoring and man-machine interfaces.

  14. A nonaffine network model for elastomers undergoing finite deformations

    NASA Astrophysics Data System (ADS)

    Davidson, Jacob D.; Goulbourne, N. C.

    2013-08-01

    In this work, we construct a new physics-based model of rubber elasticity to capture the strain softening, strain hardening, and deformation-state dependent response of rubber materials undergoing finite deformations. This model is unique in its ability to capture large-stretch mechanical behavior with parameters that are connected to the polymer chemistry and can also be easily identified with the important characteristics of the macroscopic stress-stretch response. The microscopic picture consists of two components: a crosslinked network of Langevin chains and an entangled network with chains confined to a nonaffine tube. These represent, respectively, changes in entropy due to thermally averaged chain conformations and changes in entropy due to the magnitude of these conformational fluctuations. A simple analytical form for the strain energy density is obtained using Rubinstein and Panyukov's single-chain description of network behavior. The model only depends on three parameters that together define the initial modulus, extent of strain softening, and the onset of strain hardening. Fits to large stretch data for natural rubber, silicone rubber, VHB 4905 (polyacrylate rubber), and b186 rubber (a carbon black-filled rubber) are presented, and a comparison is made with other similar constitutive models of large-stretch rubber elasticity. We demonstrate that the proposed model provides a complete description of elastomers undergoing large deformations for different applied loading configurations. Moreover, since the strain energy is obtained using a clear set of physical assumptions, this model may be tested and used to interpret the results of computer simulation and experiments on polymers of known microscopic structure.

  15. Spectrum-efficient multipath provisioning with content connectivity for the survivability of elastic optical datacenter networks

    NASA Astrophysics Data System (ADS)

    Gao, Tao; Li, Xin; Guo, Bingli; Yin, Shan; Li, Wenzhe; Huang, Shanguo

    2017-07-01

    Multipath provisioning is a survivable and resource efficient solution against increasing link failures caused by natural or man-made disasters in elastic optical datacenter networks (EODNs). Nevertheless, the conventional multipath provisioning scheme is designed only for connecting a specific node pair. Also, it is obvious that the number of node-disjoint paths between any two nodes is restricted to network connectivity, which has a fixed value for a given topology. Recently, the concept of content connectivity in EODNs has been proposed, which guarantees that a user can be served by any datacenter hosting the required content regardless of where it is located. From this new perspective, we propose a survivable multipath provisioning with content connectivity (MPCC) scheme, which is expected to improve the spectrum efficiency and the whole system survivability. We formulate the MPCC scheme with Integer Linear Program (ILP) in static traffic scenario and a heuristic approach is proposed for dynamic traffic scenario. Furthermore, to adapt MPCC to the variation of network state in dynamic traffic scenario, we propose a dynamic content placement (DCP) strategy in the MPCC scheme for detecting the variation of the distribution of user requests and adjusting the content location dynamically. Simulation results indicate that the MPCC scheme can reduce over 20% spectrum consumption than conventional multipath provisioning scheme in static traffic scenario. And in dynamic traffic scenario, the MPCC scheme can reduce over 20% spectrum consumption and over 50% blocking probability than conventional multipath provisioning scheme. Meanwhile, benefiting from the DCP strategy, the MPCC scheme has a good adaption to the variation of the distribution of user requests.

  16. The performance of fine-grained and coarse-grained elastic network models and its dependence on various factors.

    PubMed

    Na, Hyuntae; Song, Guang

    2015-07-01

    In a recent work we developed a method for deriving accurate simplified models that capture the essentials of conventional all-atom NMA and identified two best simplified models: ssNMA and eANM, both of which have a significantly higher correlation with NMA in mean square fluctuation calculations than existing elastic network models such as ANM and ANMr2, a variant of ANM that uses the inverse of the squared separation distances as spring constants. Here, we examine closely how the performance of these elastic network models depends on various factors, namely, the presence of hydrogen atoms in the model, the quality of input structures, and the effect of crystal packing. The study reveals the strengths and limitations of these models. Our results indicate that ssNMA and eANM are the best fine-grained elastic network models but their performance is sensitive to the quality of input structures. When the quality of input structures is poor, ANMr2 is a good alternative for computing mean-square fluctuations while ANM model is a good alternative for obtaining normal modes. © 2015 Wiley Periodicals, Inc.

  17. Near-Field to Far-Field Uncertainty Propagation and Quantification of Ground Motions Generated by the Source Physics Experiments (SPE)

    NASA Astrophysics Data System (ADS)

    Antoun, T.; Ezzedine, S. M.; Vorobiev, O.; Pitarka, A.; Hurley, R.; Hirakawa, E. T.; Glenn, L.; Walter, W. R.

    2016-12-01

    LLNL has developed a framework for uncertainty propagation and quantification using HPC numerical codes to simulate end-to-end, from source to receivers, the ground motions observed during the Source Physics Experiments (SPE) conducted in fractured granitic rock at the Nevada National Security Site (NNSS). SPE includes six underground chemical explosions designed with different yields initiated at different depths. To date we have successfully applied this framework to explain the near-field shear motions observed in the vicinity of SPE3 thru SPE5. However, systematic uncertainty propagation to the far-field seismic receiver has not been addressed yet. In the current study, we used a coupling between the non-linear inelastic hydrodynamic regime in the near-field and the seismic elastic regime in the far-field to conduct the analysis. Several realizations of the stochastic discrete fracture network were generated conditional to the observed sparse data. These realizations were then used to calculate the ground motions generated from the SPE shots up to the elastic radius. The latter serves as the handshake interface for the far-field simulations. By creating several realizations of near-field responses one can embed those sources into the far-field elastic wave code and further the uncertainty propagation to the receivers. We will present a full assessment from end-to-end for the near- and far-field measurements. Separate analyses of the effect of the different conceptual geological models are also carried over using a nested Monte Carlo scheme. We compare the observed frequency content at several gages with the simulated ones. We conclude that both regions experience different sampling of frequencies: small features are relevant to near-field simulations while larger feature are more dominant at the far-field. We finally rank the primary sensitive parameters for both regions to drive and refine the field characterization data collection.

  18. Gating Mechanisms of Mechanosensitive Channels of Large Conductance, I: A Continuum Mechanics-Based Hierarchical Framework

    PubMed Central

    Chen, Xi; Cui, Qiang; Tang, Yuye; Yoo, Jejoong; Yethiraj, Arun

    2008-01-01

    A hierarchical simulation framework that integrates information from molecular dynamics (MD) simulations into a continuum model is established to study the mechanical response of mechanosensitive channel of large-conductance (MscL) using the finite element method (FEM). The proposed MD-decorated FEM (MDeFEM) approach is used to explore the detailed gating mechanisms of the MscL in Escherichia coli embedded in a palmitoyloleoylphosphatidylethanolamine lipid bilayer. In Part I of this study, the framework of MDeFEM is established. The transmembrane and cytoplasmic helices are taken to be elastic rods, the loops are modeled as springs, and the lipid bilayer is approximated by a three-layer sheet. The mechanical properties of the continuum components, as well as their interactions, are derived from molecular simulations based on atomic force fields. In addition, analytical closed-form continuum model and elastic network model are established to complement the MDeFEM approach and to capture the most essential features of gating. In Part II of this study, the detailed gating mechanisms of E. coli-MscL under various types of loading are presented and compared with experiments, structural model, and all-atom simulations, as well as the analytical models established in Part I. It is envisioned that such a hierarchical multiscale framework will find great value in the study of a variety of biological processes involving complex mechanical deformations such as muscle contraction and mechanotransduction. PMID:18390626

  19. Radiation and ionization energy loss simulation for the GDH sum rule experiment in Hall-A at Jefferson Lab

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

    Yan, Xin -Hu; Ye, Yun -Xiu; Chen, Jian -Ping

    2015-07-17

    The radiation and ionization energy loss are presented for single arm Monte Carlo simulation for the GDH sum rule experiment in Hall-A at Jefferson Lab. Radiation and ionization energy loss are discussed formore » $$^{12}C$$ elastic scattering simulation. The relative momentum ratio $$\\frac{\\Delta p}{p}$$ and $$^{12}C$$ elastic cross section are compared without and with radiation energy loss and a reasonable shape is obtained by the simulation. The total energy loss distribution is obtained, showing a Landau shape for $$^{12}C$$ elastic scattering. This simulation work will give good support for radiation correction analysis of the GDH sum rule experiment.« less

  20. Correlation between elastic and plastic deformations of partially cured epoxy networks

    NASA Astrophysics Data System (ADS)

    Müller, Michael; Böhm, Robert; Geller, Sirko; Kupfer, Robert; Jäger, Hubert; Gude, Maik

    2018-05-01

    The thermo-mechanical behavior of polymer matrix materials is strongly dependent on the curing reaction as well as temperature and time. To date, investigations of epoxy resins and their composites mainly focused on the elastic domain because plastic deformation of cross-linked polymer networks was considered as irrelevant or not feasible. This paper presents a novel approach which combines both elastic and plastic domain. Based on an analytical framework describing the storage modulus, analogous parameter combinations are defined in order to reduce complexity when variations in temperature, strain rate and degree of cure are encountered.

  1. Shear Elasticity and Shear Viscosity Imaging in Soft Tissue

    NASA Astrophysics Data System (ADS)

    Yang, Yiqun

    In this thesis, a new approach is introduced that provides estimates of shear elasticity and shear viscosity using time-domain measurements of shear waves in viscoelastic media. Simulations of shear wave particle displacements induced by an acoustic radiation force are accelerated significantly by a GPU. The acoustic radiation force is first calculated using the fast near field method (FNM) and the angular spectrum approach (ASA). The shear waves induced by the acoustic radiation force are then simulated in elastic and viscoelastic media using Green's functions. A parallel algorithm is developed to perform these calculations on a GPU, where the shear wave particle displacements at different observation points are calculated in parallel. The resulting speed increase enables rapid evaluation of shear waves at discrete points, in 2D planes, and for push beams with different spatial samplings and for different values of the f-number (f/#). The results of these simulations show that push beams with smaller f/# require a higher spatial sampling rate. The significant amount of acceleration achieved by this approach suggests that shear wave simulations with the Green's function approach are ideally suited for high-performance GPUs. Shear wave elasticity imaging determines the mechanical parameters of soft tissue by analyzing measured shear waves induced by an acoustic radiation force. To estimate the shear elasticity value, the widely used time-of-flight method calculates the correlation between shear wave particle velocities at adjacent lateral observation points. Although this method provides accurate estimates of the shear elasticity in purely elastic media, our experience suggests that the time-of-flight (TOF) method consistently overestimates the shear elasticity values in viscoelastic media because the combined effects of diffraction, attenuation, and dispersion are not considered. To address this problem, we have developed an approach that directly accounts for all of these effects when estimating the shear elasticity. This new approach simulates shear wave particle velocities using a Green's function-based approach for the Voigt model, where the shear elasticity and viscosity values are estimated using an optimization-based approach that compares measured shear wave particle velocities with simulated shear wave particle velocities in the time-domain. The results are evaluated on a point-by-point basis to generate images. There is good agreement between the simulated and measured shear wave particle velocities, where the new approach yields much better images of the shear elasticity and shear viscosity than the TOF method. The new estimation approach is accelerated with an approximate viscoelastic Green's function model that is evaluated with shear wave data obtained from in vivo human livers. Instead of calculating shear waves with combinations of different shear elasticities and shear viscosities, shear waves are calculated with different shear elasticities on the GPU and then convolved with a viscous loss model, which accelerates the calculation dramatically. The shear elasticity and shear viscosity values are then estimated using an optimization-based approach by minimizing the difference between measured and simulated shear wave particle velocities. Shear elasticity and shear viscosity images are generated at every spatial point in a two-dimensional (2D) field-of-view (FOV). The new approach is applied to measured shear wave data obtained from in vivo human livers, and the results show that this new approach successfully generates shear elasticity and shear viscosity images from this data. The results also indicate that the shear elasticity values estimated with this approach are significantly smaller than the values estimated with the conventional TOF method and that the new approach demonstrates more consistent values for these estimates compared with the TOF method. This experience suggests that the new method is an effective approach for estimating the shear elasticity and the shear viscosity in liver and in other soft tissue.

  2. Quality of Recovery Evaluation of the Protection Schemes for Fiber-Wireless Access Networks

    NASA Astrophysics Data System (ADS)

    Fu, Minglei; Chai, Zhicheng; Le, Zichun

    2016-03-01

    With the rapid development of fiber-wireless (FiWi) access network, the protection schemes have got more and more attention due to the risk of huge data loss when failures occur. However, there are few studies on the performance evaluation of the FiWi protection schemes by the unified evaluation criterion. In this paper, quality of recovery (QoR) method was adopted to evaluate the performance of three typical protection schemes (MPMC scheme, OBOF scheme and RPMF scheme) against the segment-level failure in FiWi access network. The QoR models of the three schemes were derived in terms of availability, quality of backup path, recovery time and redundancy. To compare the performance of the three protection schemes comprehensively, five different classes of network services such as emergency service, prioritized elastic service, conversational service, etc. were utilized by means of assigning different QoR weights. Simulation results showed that, for the most service cases, RPMF scheme was proved to be the best solution to enhance the survivability when planning the FiWi access network.

  3. The Role of Network Architecture in Collagen Mechanics.

    PubMed

    Jansen, Karin A; Licup, Albert J; Sharma, Abhinav; Rens, Robbie; MacKintosh, Fred C; Koenderink, Gijsje H

    2018-06-05

    Collagen forms fibrous networks that reinforce tissues and provide an extracellular matrix for cells. These networks exhibit remarkable strain-stiffening properties that tailor the mechanical functions of tissues and regulate cell behavior. Recent models explain this nonlinear behavior as an intrinsic feature of disordered networks of stiff fibers. Here, we experimentally validate this theoretical framework by measuring the elastic properties of collagen networks over a wide range of self-assembly conditions. We show that the model allows us to quantitatively relate both the linear and nonlinear elastic behavior of collagen networks to their underlying architecture. Specifically, we identify the local coordination number (or connectivity) 〈z〉 as a key architectural parameter that governs the elastic response of collagen. The network elastic response reveals that 〈z〉 decreases from 3.5 to 3 as the polymerization temperature is raised from 26 to 37°C while being weakly dependent on concentration. We furthermore infer a Young's modulus of 1.1 MPa for the collagen fibrils from the linear modulus. Scanning electron microscopy confirms that 〈z〉 is between three and four but is unable to detect the subtle changes in 〈z〉 with polymerization conditions that rheology is sensitive to. Finally, we show that, consistent with the model, the initial stress-stiffening response of collagen networks is controlled by the negative normal stress that builds up under shear. Our work provides a predictive framework to facilitate future studies of the regulatory effect of extracellular matrix molecules on collagen mechanics. Moreover, our findings can aid mechanobiological studies of wound healing, fibrosis, and cancer metastasis, which require collagen matrices with tunable mechanical properties. Copyright © 2018 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  4. Drainage fracture networks in elastic solids with internal fluid generation

    NASA Astrophysics Data System (ADS)

    Kobchenko, Maya; Hafver, Andreas; Jettestuen, Espen; Galland, Olivier; Renard, François; Meakin, Paul; Jamtveit, Bjørn; Dysthe, Dag K.

    2013-06-01

    Experiments in which CO2 gas was generated by the yeast fermentation of sugar in an elastic layer of gelatine gel confined between two glass plates are described and analyzed theoretically. The CO2 gas pressure causes the gel layer to fracture. The gas produced is drained on short length scales by diffusion and on long length scales by flow in a fracture network, which has topological properties that are intermediate between river networks and hierarchical-fracture networks. A simple model for the experimental system with two parameters that characterize the disorder and the intermediate (river-fracture) topology of the network was developed and the results of the model were compared with the experimental results.

  5. Blade Displacement Predictions for the Full-Scale UH-60A Airloads Rotor

    NASA Technical Reports Server (NTRS)

    Bledron, Robert T.; Lee-Rausch, Elizabeth M.

    2014-01-01

    An unsteady Reynolds-Averaged Navier-Stokes solver for unstructured grids is loosely coupled to a rotorcraft comprehensive code and used to simulate two different test conditions from a wind-tunnel test of a full-scale UH-60A rotor. Performance data and sectional airloads from the simulation are compared with corresponding tunnel data to assess the level of fidelity of the aerodynamic aspects of the simulation. The focus then turns to a comparison of the blade displacements, both rigid (blade root) and elastic. Comparisons of computed root motions are made with data from three independent measurement systems. Finally, comparisons are made between computed elastic bending and elastic twist, and the corresponding measurements obtained from a photogrammetry system. Overall the correlation between computed and measured displacements was good, especially for the root pitch and lag motions and the elastic bending deformation. The correlation of root lead-lag motion and elastic twist deformation was less favorable.

  6. Jammed elastic shells - a 3D experimental soft frictionless granular system

    NASA Astrophysics Data System (ADS)

    Jose, Jissy; Blab, Gerhard A.; van Blaaderen, Alfons; Imhof, Arnout

    2015-03-01

    We present a new experimental system of monodisperse, soft, frictionless, fluorescent labelled elastic shells for the characterization of structure, universal scaling laws and force networks in 3D jammed matter. The interesting fact about these elastic shells is that they can reversibly deform and therefore serve as sensors of local stress in jammed matter. Similar to other soft particles, like emulsion droplets and bubbles in foam, the shells can be packed to volume fractions close to unity, which allows us to characterize the contact force distribution and universal scaling laws as a function of volume fraction, and to compare them with theoretical predictions and numerical simulations. However, our shells, unlike other soft particles, deform rather differently at large stresses. They deform without conserving their inner volume, by forming dimples at contact regions. At each contact one of the shells buckled with a dimple and the other remained spherical, closely resembling overlapping spheres. We conducted 3D quantitative analysis using confocal microscopy and image analysis routines specially developed for these particles. In addition, we analysed the randomness of the process of dimpling, which was found to be volume fraction dependent.

  7. Attenuation of the dynamic yield point of shocked aluminum using elastodynamic simulations of dislocation dynamics.

    PubMed

    Gurrutxaga-Lerma, Beñat; Balint, Daniel S; Dini, Daniele; Eakins, Daniel E; Sutton, Adrian P

    2015-05-01

    When a metal is subjected to extremely rapid compression, a shock wave is launched that generates dislocations as it propagates. The shock wave evolves into a characteristic two-wave structure, with an elastic wave preceding a plastic front. It has been known for more than six decades that the amplitude of the elastic wave decays the farther it travels into the metal: this is known as "the decay of the elastic precursor." The amplitude of the elastic precursor is a dynamic yield point because it marks the transition from elastic to plastic behavior. In this Letter we provide a full explanation of this attenuation using the first method of dislocation dynamics to treat the time dependence of the elastic fields of dislocations explicitly. We show that the decay of the elastic precursor is a result of the interference of the elastic shock wave with elastic waves emanating from dislocations nucleated in the shock front. Our simulations reproduce quantitatively recent experiments on the decay of the elastic precursor in aluminum and its dependence on strain rate.

  8. Hydrogen adsorption and desorption with 3D silicon nanotube-network and film-network structures: Monte Carlo simulations

    NASA Astrophysics Data System (ADS)

    Li, Ming; Huang, Xiaobo; Kang, Zhan

    2015-08-01

    Hydrogen is clean, sustainable, and renewable, thus is viewed as promising energy carrier. However, its industrial utilization is greatly hampered by the lack of effective hydrogen storage and release method. Carbon nanotubes (CNTs) were viewed as one of the potential hydrogen containers, but it has been proved that pure CNTs cannot attain the desired target capacity of hydrogen storage. In this paper, we present a numerical study on the material-driven and structure-driven hydrogen adsorption of 3D silicon networks and propose a deformation-driven hydrogen desorption approach based on molecular simulations. Two types of 3D nanostructures, silicon nanotube-network (Si-NN) and silicon film-network (Si-FN), are first investigated in terms of hydrogen adsorption and desorption capacity with grand canonical Monte Carlo simulations. It is revealed that the hydrogen storage capacity is determined by the lithium doping ratio and geometrical parameters, and the maximum hydrogen uptake can be achieved by a 3D nanostructure with optimal configuration and doping ratio obtained through design optimization technique. For hydrogen desorption, a mechanical-deformation-driven-hydrogen-release approach is proposed. Compared with temperature/pressure change-induced hydrogen desorption method, the proposed approach is so effective that nearly complete hydrogen desorption can be achieved by Si-FN nanostructures under sufficient compression but without structural failure observed. The approach is also reversible since the mechanical deformation in Si-FN nanostructures can be elastically recovered, which suggests a good reusability. This study may shed light on the mechanism of hydrogen adsorption and desorption and thus provide useful guidance toward engineering design of microstructural hydrogen (or other gas) adsorption materials.

  9. Elastic properties and short-range structural order in mixed network former glasses.

    PubMed

    Wang, Weimin; Christensen, Randilynn; Curtis, Brittany; Hynek, David; Keizer, Sydney; Wang, James; Feller, Steve; Martin, Steve W; Kieffer, John

    2017-06-21

    Elastic properties of alkali containing glasses are of great interest not only because they provide information about overall structural integrity but also they are related to other properties such as thermal conductivity and ion mobility. In this study, we investigate two mixed-network former glass systems, sodium borosilicate 0.2Na 2 O + 0.8[xBO 1.5 + (1 - x)SiO 2 ] and sodium borogermanate 0.2Na 2 O + 0.8[xBO 1.5 + (1 - x)GeO 2 ] glasses. By mixing network formers, the network topology can be changed while keeping the network modifier concentration constant, which allows for the effect of network structure on elastic properties to be analyzed over a wide parametric range. In addition to non-linear, non-additive mixed-glass former effects, maxima are observed in longitudinal, shear and Young's moduli with increasing atomic number density. By combining results from NMR spectroscopy and Brillouin light scattering with a newly developed statistical thermodynamic reaction equilibrium model, it is possible to determine the relative proportions of all network structural units. This new analysis reveals that the structural characteristic predominantly responsible for effective mechanical load transmission in these glasses is a high density of network cations coordinated by four or more bridging oxygens, as it provides for establishing a network of covalent bonds among these cations with connectivity in three dimensions.

  10. The notion of a plastic material spin in atomistic simulations

    NASA Astrophysics Data System (ADS)

    Dickel, D.; Tenev, T. G.; Gullett, P.; Horstemeyer, M. F.

    2016-12-01

    A kinematic algorithm is proposed to extend existing constructions of strain tensors from atomistic data to decouple elastic and plastic contributions to the strain. Elastic and plastic deformation and ultimately the plastic spin, useful quantities in continuum mechanics and finite element simulations, are computed from the full, discrete deformation gradient and an algorithm for the local elastic deformation gradient. This elastic deformation gradient algorithm identifies a crystal type using bond angle analysis (Ackland and Jones 2006 Phys. Rev. B 73 054104) and further exploits the relationship between bond angles to determine the local deformation from an ideal crystal lattice. Full definitions of plastic deformation follow directly using a multiplicative decomposition of the deformation gradient. The results of molecular dynamics simulations of copper in simple shear and torsion are presented to demonstrate the ability of these new discrete measures to describe plastic material spin in atomistic simulation and to compare them with continuum theory.

  11. Stress-enhanced gelation: a dynamic nonlinearity of elasticity.

    PubMed

    Yao, Norman Y; Broedersz, Chase P; Depken, Martin; Becker, Daniel J; Pollak, Martin R; Mackintosh, Frederick C; Weitz, David A

    2013-01-04

    A hallmark of biopolymer networks is their sensitivity to stress, reflected by pronounced nonlinear elastic stiffening. Here, we demonstrate a distinct dynamical nonlinearity in biopolymer networks consisting of filamentous actin cross-linked by α-actinin-4. Applied stress delays the onset of relaxation and flow, markedly enhancing gelation and extending the regime of solidlike behavior to much lower frequencies. We show that this macroscopic network response can be accounted for at the single molecule level by the increased binding affinity of the cross-linker under load, characteristic of catch-bond-like behavior.

  12. Structural Health Monitoring of a Composite Panel Based on PZT Sensors and a Transfer Impedance Framework

    PubMed Central

    Dziendzikowski, Michal; Niedbala, Patryk; Kurnyta, Artur; Kowalczyk, Kamil; Dragan, Krzysztof

    2018-01-01

    One of the ideas for development of Structural Health Monitoring (SHM) systems is based on excitation of elastic waves by a network of PZT piezoelectric transducers integrated with the structure. In the paper, a variant of the so-called Transfer Impedance (TI) approach to SHM is followed. Signal characteristics, called the Damage Indices (DIs), were proposed for data presentation and analysis. The idea underlying the definition of DIs was to maintain most of the information carried by the voltage induced on PZT sensors by elastic waves. In particular, the DIs proposed in the paper should be sensitive to all types of damage which can influence the amplitude or the phase of the voltage induced on the sensor. Properties of the proposed DIs were investigated experimentally using a GFRP composite panel equipped with PZT networks attached to its surface and embedded into its internal structure. Repeatability and stability of DI indications under controlled conditions were verified in tests. Also, some performance indicators for surface-attached and structure-embedded sensors were obtained. The DIs’ behavior was dependent mostly on the presence of a simulated damage in the structure. Anisotropy of mechanical properties of the specimen, geometrical properties of PZT network as well as, to some extent, the technology of sensor integration with the structure were irrelevant for damage indication. This property enables the method to be used for damage detection and classification. PMID:29751664

  13. Two-zone elastic-plastic single shock waves in solids.

    PubMed

    Zhakhovsky, Vasily V; Budzevich, Mikalai M; Inogamov, Nail A; Oleynik, Ivan I; White, Carter T

    2011-09-23

    By decoupling time and length scales in moving window molecular dynamics shock-wave simulations, a new regime of shock-wave propagation is uncovered characterized by a two-zone elastic-plastic shock-wave structure consisting of a leading elastic front followed by a plastic front, both moving with the same average speed and having a fixed net thickness that can extend to microns. The material in the elastic zone is in a metastable state that supports a pressure that can substantially exceed the critical pressure characteristic of the onset of the well-known split-elastic-plastic, two-wave propagation. The two-zone elastic-plastic wave is a general phenomenon observed in simulations of a broad class of crystalline materials and is within the reach of current experimental techniques.

  14. The relationship between elastic constants and structure of shock waves in a zinc single crystal

    NASA Astrophysics Data System (ADS)

    Krivosheina, M. N.; Kobenko, S. V.; Tuch, E. V.

    2017-12-01

    The paper provides a 3D finite element simulation of shock-loaded anisotropic single crystals on the example of a Zn plate under impact using a mathematical model, which allows for anisotropy in hydrostatic stress and wave velocities in elastic and plastic ranges. The simulation results agree with experimental data, showing the absence of shock wave splitting into an elastic precursor and a plastic wave in Zn single crystals impacted in the [0001] direction. It is assumed that the absence of an elastic precursor under impact loading of a zinc single crystal along the [0001] direction is determined by the anomalously large ratio of the c/a-axes and close values of the propagation velocities of longitudinal and bulk elastic waves. It is shown that an increase in only one elastic constant along the [0001] direction results in shock wave splitting into an elastic precursor and a shock wave of "plastic" compression.

  15. The application of multilayer elastic beam in MEMS safe and arming system

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

    Li, Guozhong, E-mail: liguozhong-bit@bit.edu.cn; Shi, Gengchen; Sui, Li

    In this paper, a new approach for a multilayer elastic beam to provide a driving force and driving distance for a MEMS safe and arming system is presented. In particular this is applied where a monolayer elastic beam cannot provide adequate driving force and driving distance at the same time in limited space. Compared with thicker elastic beams, the bilayer elastic beam can provide twice the driving force of a monolayer beam to guarantee the MEMS safe and arming systems work reliably without decreasing the driving distance. In this paper, the theoretical analysis, numerical simulation and experimental verification of themore » multilayer elastic beam is presented. The numerical simulation and experimental results show that the bilayer elastic provides 1.8–2 times the driving force of a monolayer, and a method that improves driving force without reducing the driving distance.« less

  16. A Coarse-Grained Elastic Network Atom Contact Model and Its Use in the Simulation of Protein Dynamics and the Prediction of the Effect of Mutations

    PubMed Central

    Frappier, Vincent; Najmanovich, Rafael J.

    2014-01-01

    Normal mode analysis (NMA) methods are widely used to study dynamic aspects of protein structures. Two critical components of NMA methods are coarse-graining in the level of simplification used to represent protein structures and the choice of potential energy functional form. There is a trade-off between speed and accuracy in different choices. In one extreme one finds accurate but slow molecular-dynamics based methods with all-atom representations and detailed atom potentials. On the other extreme, fast elastic network model (ENM) methods with Cα−only representations and simplified potentials that based on geometry alone, thus oblivious to protein sequence. Here we present ENCoM, an Elastic Network Contact Model that employs a potential energy function that includes a pairwise atom-type non-bonded interaction term and thus makes it possible to consider the effect of the specific nature of amino-acids on dynamics within the context of NMA. ENCoM is as fast as existing ENM methods and outperforms such methods in the generation of conformational ensembles. Here we introduce a new application for NMA methods with the use of ENCoM in the prediction of the effect of mutations on protein stability. While existing methods are based on machine learning or enthalpic considerations, the use of ENCoM, based on vibrational normal modes, is based on entropic considerations. This represents a novel area of application for NMA methods and a novel approach for the prediction of the effect of mutations. We compare ENCoM to a large number of methods in terms of accuracy and self-consistency. We show that the accuracy of ENCoM is comparable to that of the best existing methods. We show that existing methods are biased towards the prediction of destabilizing mutations and that ENCoM is less biased at predicting stabilizing mutations. PMID:24762569

  17. Experimental demonstration of spectrum-sliced elastic optical path network (SLICE).

    PubMed

    Kozicki, Bartłomiej; Takara, Hidehiko; Tsukishima, Yukio; Yoshimatsu, Toshihide; Yonenaga, Kazushige; Jinno, Masahiko

    2010-10-11

    We describe experimental demonstration of spectrum-sliced elastic optical path network (SLICE) architecture. We employ optical orthogonal frequency-division multiplexing (OFDM) modulation format and bandwidth-variable optical cross-connects (OXC) to generate, transmit and receive optical paths with bandwidths of up to 1 Tb/s. We experimentally demonstrate elastic optical path setup and spectrally-efficient transmission of multiple channels with bit rates ranging from 40 to 140 Gb/s between six nodes of a mesh network. We show dynamic bandwidth scalability for optical paths with bit rates of 40 to 440 Gb/s. Moreover, we demonstrate multihop transmission of a 1 Tb/s optical path over 400 km of standard single-mode fiber (SMF). Finally, we investigate the filtering properties and the required guard band width for spectrally-efficient allocation of optical paths in SLICE.

  18. Self-organization in neural networks - Applications in structural optimization

    NASA Technical Reports Server (NTRS)

    Hajela, Prabhat; Fu, B.; Berke, Laszlo

    1993-01-01

    The present paper discusses the applicability of ART (Adaptive Resonance Theory) networks, and the Hopfield and Elastic networks, in problems of structural analysis and design. A characteristic of these network architectures is the ability to classify patterns presented as inputs into specific categories. The categories may themselves represent distinct procedural solution strategies. The paper shows how this property can be adapted in the structural analysis and design problem. A second application is the use of Hopfield and Elastic networks in optimization problems. Of particular interest are problems characterized by the presence of discrete and integer design variables. The parallel computing architecture that is typical of neural networks is shown to be effective in such problems. Results of preliminary implementations in structural design problems are also included in the paper.

  19. Experimental demonstration of software defined data center optical networks with Tbps end-to-end tunability

    NASA Astrophysics Data System (ADS)

    Zhao, Yongli; Zhang, Jie; Ji, Yuefeng; Li, Hui; Wang, Huitao; Ge, Chao

    2015-10-01

    The end-to-end tunability is important to provision elastic channel for the burst traffic of data center optical networks. Then, how to complete the end-to-end tunability based on elastic optical networks? Software defined networking (SDN) based end-to-end tunability solution is proposed for software defined data center optical networks, and the protocol extension and implementation procedure are designed accordingly. For the first time, the flexible grid all optical networks with Tbps end-to-end tunable transport and switch system have been online demonstrated for data center interconnection, which are controlled by OpenDayLight (ODL) based controller. The performance of the end-to-end tunable transport and switch system has been evaluated with wavelength number tuning, bit rate tuning, and transmit power tuning procedure.

  20. Cell wall elasticity: I. A critique of the bulk elastic modulus approach and an analysis using polymer elastic principles

    NASA Technical Reports Server (NTRS)

    Wu, H. I.; Spence, R. D.; Sharpe, P. J.; Goeschl, J. D.

    1985-01-01

    The traditional bulk elastic modulus approach to plant cell pressure-volume relations is inconsistent with its definition. The relationship between the bulk modulus and Young's modulus that forms the basis of their usual application to cell pressure-volume properties is demonstrated to be physically meaningless. The bulk modulus describes stress/strain relations of solid, homogeneous bodies undergoing small deformations, whereas the plant cell is best described as a thin-shelled, fluid-filled structure with a polymer base. Because cell walls possess a polymer structure, an alternative method of mechanical analysis is presented using polymer elasticity principles. This initial study presents the groundwork of polymer mechanics as would be applied to cell walls and discusses how the matrix and microfibrillar network induce nonlinear stress/strain relationships in the cell wall in response to turgor pressure. In subsequent studies, these concepts will be expanded to include anisotropic expansion as regulated by the microfibrillar network.

  1. Actin-mediated bacterial propulsion: comet profile, velocity pulsations.

    PubMed

    Benza, V G

    2008-05-23

    The propulsion of bacteria under the action of an actin gel network is examined in terms of gel concentration dynamics. The model includes the elasticity of the network, the gel-bacterium interaction, the bulk and interface polymerization. A formula for the cruise velocity is obtained where the contributions to bacterial motility arising from elasticity and polymerization are made explicit. Higher velocities correspond to lower concentration peaks and longer tails, in agreement with experimental results. The condition for the onset of motion is explicitly given. The behavior of the system is explored by varying the growth rates and the gel elasticity. At steady state two regimes are found, respectively, of constant and pulsating velocity; in the latter case, the velocity undergoes sudden accelerations and subsequent recoveries. The transition to the pulsating regime is obtained by increasing the elastic response of the gel.

  2. Mechanical and optical behavior of a tunable liquid lens using a variable cross section membrane: modeling results

    NASA Astrophysics Data System (ADS)

    Flores-Bustamante, Mario C.; Rosete-Aguilar, Martha; Calixto, Sergio

    2016-03-01

    A lens containing a liquid medium and having at least one elastic membrane as one of its components is known as an elastic membrane lens (EML). The elastic membrane may have a constant or variable thickness. The optical properties of the EML change by modifying the profile of its elastic membrane(s). The EML formed of elastic constant thickness membrane(s) have been studied extensively. However, EML information using elastic membrane of variable thickness is limited. In this work, we present simulation results of the mechanical and optical behavior of two EML with variable thickness membranes (convex-plane membranes). The profile of its surfaces were modified by liquid medium volume increases. The model of the convex-plane membranes, as well as the simulation of its mechanical behavior, were performed using Solidworks® software; and surface's points of the deformed elastic lens were obtained. Experimental stress-strain data, obtained from a silicone rubber simple tensile test, according to ASTM D638 norm, were used in the simulation. Algebraic expressions, (Schwarzschild formula, up to four deformation coefficients, in a cylindrical coordinate system (r, z)), of the meridional profiles of the first and second surfaces of the deformed convex-plane membranes, were obtained using the results from Solidworks® and a program in the software Mathematica®. The optical performance of the EML was obtained by simulation using the software OSLO® and the algebraic expressions obtained in Mathematica®.

  3. Epistemic uncertainty in California-wide synthetic seismicity simulations

    USGS Publications Warehouse

    Pollitz, Fred F.

    2011-01-01

    The generation of seismicity catalogs on synthetic fault networks holds the promise of providing key inputs into probabilistic seismic-hazard analysis, for example, the coefficient of variation, mean recurrence time as a function of magnitude, the probability of fault-to-fault ruptures, and conditional probabilities for foreshock–mainshock triggering. I employ a seismicity simulator that includes the following ingredients: static stress transfer, viscoelastic relaxation of the lower crust and mantle, and vertical stratification of elastic and viscoelastic material properties. A cascade mechanism combined with a simple Coulomb failure criterion is used to determine the initiation, propagation, and termination of synthetic ruptures. It is employed on a 3D fault network provided by Steve Ward (unpublished data, 2009) for the Southern California Earthquake Center (SCEC) Earthquake Simulators Group. This all-California fault network, initially consisting of 8000 patches, each of ∼12 square kilometers in size, has been rediscretized into Graphic patches, each of ∼1 square kilometer in size, in order to simulate the evolution of California seismicity and crustal stress at magnitude M∼5–8. Resulting synthetic seismicity catalogs spanning 30,000 yr and about one-half million events are evaluated with magnitude-frequency and magnitude-area statistics. For a priori choices of fault-slip rates and mean stress drops, I explore the sensitivity of various constructs on input parameters, particularly mantle viscosity. Slip maps obtained for the southern San Andreas fault show that the ability of segment boundaries to inhibit slip across the boundaries (e.g., to prevent multisegment ruptures) is systematically affected by mantle viscosity.

  4. Epistemic uncertainty in California-wide synthetic seismicity simulations

    USGS Publications Warehouse

    Pollitz, F.F.

    2011-01-01

    The generation of seismicity catalogs on synthetic fault networks holds the promise of providing key inputs into probabilistic seismic-hazard analysis, for example, the coefficient of variation, mean recurrence time as a function of magnitude, the probability of fault-to-fault ruptures, and conditional probabilities for foreshock-mainshock triggering. I employ a seismicity simulator that includes the following ingredients: static stress transfer, viscoelastic relaxation of the lower crust and mantle, and vertical stratification of elastic and viscoelastic material properties. A cascade mechanism combined with a simple Coulomb failure criterion is used to determine the initiation, propagation, and termination of synthetic ruptures. It is employed on a 3D fault network provided by Steve Ward (unpublished data, 2009) for the Southern California Earthquake Center (SCEC) Earthquake Simulators Group. This all-California fault network, initially consisting of 8000 patches, each of ~12 square kilometers in size, has been rediscretized into ~100;000 patches, each of ~1 square kilometer in size, in order to simulate the evolution of California seismicity and crustal stress at magnitude M ~ 5-8. Resulting synthetic seismicity catalogs spanning 30,000 yr and about one-half million events are evaluated with magnitude-frequency and magnitude-area statistics. For a priori choices of fault-slip rates and mean stress drops, I explore the sensitivity of various constructs on input parameters, particularly mantle viscosity. Slip maps obtained for the southern San Andreas fault show that the ability of segment boundaries to inhibit slip across the boundaries (e.g., to prevent multisegment ruptures) is systematically affected by mantle viscosity.

  5. [Results of Simulation Studies

    NASA Technical Reports Server (NTRS)

    2003-01-01

    Lattice Monte Carlo and off-lattice molecular dynamics simulations of h(sub 1)t(sub 4) and h(sub 4)t(sub l) (head/tail) amphiphile solutions have been performed as a function of surfactant concentration and temperature. The lattice and off-lattice systems exhibit quite different self-assembly behavior at equivalent thermodynamic conditions. We found that in the weakly aggregating regime (no preferred-size micelles), all models yield similar micelle size distributions at the same average aggregation number, albeit at different thermodynamic conditions (temperatures). In the strongly aggregating regime, this mapping between models (through temperature adjustment) fails, and the models exhibit qualitatively different micellization behavior. Incipient micellization in a model self-associating telechelic polymer solution results in a network with a transient elastic response that decays by a two-step relaxation: the first is due to a heterogeneous jump-diffusion process involving entrapment of end-groups within well-defined clusters and this is followed by rapid diffusion to neighboring clusters and a decay (terminal relaxation) due to cluster disintegration. The viscoelastic response of the solution manifests characteristics of a glass transition and entangled polymer network.

  6. On the intrinsic flexibility of the opioid receptor through multiscale modeling approaches

    NASA Astrophysics Data System (ADS)

    Vercauteren, Daniel; FosséPré, Mathieu; Leherte, Laurence; Laaksonen, Aatto

    Numerous releases of G protein-coupled receptors crystalline structures created the opportunity for computational methods to widely explore their dynamics. Here, we study the biological implication of the intrinsic flexibility properties of opioid receptor OR. First, one performed classical all-atom (AA) Molecular Dynamics (MD) simulations of OR in its apo-form. We highlighted that the various degrees of bendability of the α-helices present important consequences on the plasticity of the binding site. Hence, this latter adopts a wide diversity of shape and volume, explaining why OR interacts with very diverse ligands. Then, one introduces a new strategy for parameterizing purely mechanical but precise coarse-grained (CG) elastic network models (ENMs). The CG ENMs reproduced in a high accurate way the flexibility properties of OR versus the AA simulations. At last, one uses network modularization to design multi-grained (MG) models. They represent a novel type of low resolution models, different in nature versus CG models as being true multi-resolution models, i . e ., each MG grouping a different number of residues. The three parts constitute hierarchical and multiscale approach for tackling the flexibility of OR.

  7. SLA-aware differentiated QoS in elastic optical networks

    NASA Astrophysics Data System (ADS)

    Agrawal, Anuj; Vyas, Upama; Bhatia, Vimal; Prakash, Shashi

    2017-07-01

    The quality of service (QoS) offered by optical networks can be improved by accurate provisioning of service level specifications (SLSs) included in the service level agreement (SLA). A large number of users coexisting in the network require different services. Thus, a pragmatic network needs to offer a differentiated QoS to a variety of users according to the SLA contracted for different services at varying costs. In conventional wavelength division multiplexed (WDM) optical networks, service differentiation is feasible only for a limited number of users because of its fixed-grid structure. Newly introduced flex-grid based elastic optical networks (EONs) are more adaptive to traffic requirements as compared to the WDM networks because of the flexibility in their grid structure. Thus, we propose an efficient SLA provisioning algorithm with improved QoS for these flex-grid EONs empowered by optical orthogonal frequency division multiplexing (O-OFDM). The proposed algorithm, called SLA-aware differentiated QoS (SADQ), employs differentiation at the level of routing, spectrum allocation, and connection survivability. The proposed SADQ aims to accurately provision the SLA using such multilevel differentiation with an objective to improve the spectrum utilization from the network operator's perspective. SADQ is evaluated for three different CoSs under various traffic demand patterns and for different ratios of the number of requests belonging to the three considered CoSs. We propose two new SLA metrics for the improvement of functional QoS requirements, namely, security, confidentiality and survivability of high class of service (CoS) traffic. Since, to the best of our knowledge, the proposed SADQ is the first scheme in optical networks to employ exhaustive differentiation at the levels of routing, spectrum allocation, and survivability in a single algorithm, we first compare the performance of SADQ in EON and currently deployed WDM networks to assess the differentiation capability of EON and WDM networks under such differentiated service environment. The proposed SADQ is then compared with two existing benchmark routing and spectrum allocation (RSA) schemes that are also designed under EONs. Simulations indicate that the performance of SADQ is distinctly better in EON than in WDM network under differentiated QoS scenario. The comparative analysis of the proposed SADQ with the considered benchmark RSA strategies designed under EON shows the improved performance of SADQ in EON paradigm for offering differentiated services as per the SLA.

  8. Analysis of oil consumption in cylinder of diesel engine for optimization of piston rings

    NASA Astrophysics Data System (ADS)

    Zhang, Junhong; Zhang, Guichang; He, Zhenpeng; Lin, Jiewei; Liu, Hai

    2013-01-01

    The performance and particulate emission of a diesel engine are affected by the consumption of lubricating oil. Most studies on oil consumption mechanism of the cylinder have been done by using the experimental method, however they are very costly. Therefore, it is very necessary to study oil consumption mechanism of the cylinder and obtain the accurate results by the calculation method. Firstly, four main modes of lubricating oil consumption in cylinder are analyzed and then the oil consumption rate under common working conditions are calculated for the four modes based on an engine. Then, the factors that affect the lubricating oil consumption such as working conditions, the second ring closed gap, the elastic force of the piston rings are also investigated for the four modes. The calculation results show that most of the lubricating oil is consumed by evaporation on the liner surface. Besides, there are three other findings: (1) The oil evaporation from the liner is determined by the working condition of an engine; (2) The increase of the ring closed gap reduces the oil blow through the top ring end gap but increases blow-by; (3) With the increase of the elastic force of the ring, both the left oil film thickness and the oil throw-off at the top ring decrease. The oil scraping of the piston top edge is consequently reduced while the friction loss between the rings and the liner increases. A neural network prediction model of the lubricating oil consumption in cylinder is established based on the BP neural network theory, and then the model is trained and validated. The main piston rings parameters which affect the oil consumption are optimized by using the BP neural network prediction model and the prediction accuracy of this BP neural network is within 8%, which is acceptable for normal engineering applications. The oil consumption is also measured experimentally. The relative errors of the calculated and experimental values are less than 10%, verifying the validity of the simulation results. Applying the established simulation model and the validated BP network model is able to generate numerical results with sufficient accuracy, which significantly reduces experimental work and provides guidance for the optimal design of the piston rings diesel engines.

  9. Simulating wave-turbulence on thin elastic plates with arbitrary boundary conditions

    NASA Astrophysics Data System (ADS)

    van Rees, Wim M.; Mahadevan, L.

    2016-11-01

    The statistical characteristics of interacting waves are described by the theory of wave turbulence, with the study of deep water gravity wave turbulence serving as a paradigmatic physical example. Here we consider the elastic analog of this problem in the context of flexural waves arising from vibrations of a thin elastic plate. Such flexural waves generate the unique sounds of so-called thunder machines used in orchestras - thin metal plates that make a thunder-like sound when forcefully shaken. Wave turbulence in elastic plates is typically investigated numerically using spectral simulations with periodic boundary conditions, which are not very realistic. We will present the results of numerical simulations of the dynamics of thin elastic plates in physical space, with arbitrary shapes, boundary conditions, anisotropy and inhomogeneity, and show first results on wave turbulence beyond the conventionally studied rectangular plates. Finally, motivated by a possible method to measure ice-sheet thicknesses in the open ocean, we will further discuss the behavior of a vibrating plate when floating on an inviscid fluid.

  10. Fully-elastic multi-granular network with space/frequency/time switching using multi-core fibres and programmable optical nodes.

    PubMed

    Amaya, N; Irfan, M; Zervas, G; Nejabati, R; Simeonidou, D; Sakaguchi, J; Klaus, W; Puttnam, B J; Miyazawa, T; Awaji, Y; Wada, N; Henning, I

    2013-04-08

    We present the first elastic, space division multiplexing, and multi-granular network based on two 7-core MCF links and four programmable optical nodes able to switch traffic utilising the space, frequency and time dimensions with over 6000-fold bandwidth granularity. Results show good end-to-end performance on all channels with power penalties between 0.75 dB and 3.7 dB.

  11. Model of a Soft Robotic Actuator with Embedded Fluidic Network

    NASA Astrophysics Data System (ADS)

    Gamus, Benny; Or, Yizhar; Gat, Amir

    2017-11-01

    Soft robotics is an emerging bio-inspired concept of actuation, with promising applications for robotic locomotion and manipulation. Focusing on actuation by pressurized embedded fluidic networks, we present analytic formulation and closed-form solutions of an elastic actuator with pressurized fluidic networks. In this work we account for the effects of solid inertia and elasticity, as well as fluid viscosity, which allows modelling the system's step-response and frequency response as well as suggesting mode elimination and isolation techniques. We also present and model the application of viscous-peeling as an actuation mechanism, simplifying the fabrication process by eliminating the need for internal cavities. The theoretical results describing the viscous-elastic-inertial dynamics of the actuator are illustrated by experiments. The approach presented in this work may pave the way for the design and implementation of soft robotic legged locomotion that exploits dynamic effects.

  12. Solvent-free, supersoft and superelastic bottlebrush melts and networks

    NASA Astrophysics Data System (ADS)

    Daniel, William F. M.; Burdyńska, Joanna; Vatankhah-Varnoosfaderani, Mohammad; Matyjaszewski, Krzysztof; Paturej, Jarosław; Rubinstein, Michael; Dobrynin, Andrey V.; Sheiko, Sergei S.

    2016-02-01

    Polymer gels are the only viable class of synthetic materials with a Young's modulus below 100 kPa conforming to biological applications, yet those gel properties require a solvent fraction. The presence of a solvent can lead to phase separation, evaporation and leakage on deformation, diminishing gel elasticity and eliciting inflammatory responses in any surrounding tissues. Here, we report solvent-free, supersoft and superelastic polymer melts and networks prepared from bottlebrush macromolecules. The brush-like architecture expands the diameter of the polymer chains, diluting their entanglements without markedly increasing stiffness. This adjustable interplay between chain diameter and stiffness makes it possible to tailor the network's elastic modulus and extensibility without the complications associated with a swollen gel. The bottlebrush melts and elastomers exhibit an unprecedented combination of low modulus (~100 Pa), high strain at break (~1,000%), and extraordinary elasticity, properties that are on par with those of designer gels.

  13. Deformable complex network for refining low-resolution X-ray structures

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

    Zhang, Chong; Wang, Qinghua; Ma, Jianpeng, E-mail: jpma@bcm.edu

    2015-10-27

    A new refinement algorithm called the deformable complex network that combines a novel angular network-based restraint with a deformable elastic network model in the target function has been developed to aid in structural refinement in macromolecular X-ray crystallography. In macromolecular X-ray crystallography, building more accurate atomic models based on lower resolution experimental diffraction data remains a great challenge. Previous studies have used a deformable elastic network (DEN) model to aid in low-resolution structural refinement. In this study, the development of a new refinement algorithm called the deformable complex network (DCN) is reported that combines a novel angular network-based restraint withmore » the DEN model in the target function. Testing of DCN on a wide range of low-resolution structures demonstrated that it constantly leads to significantly improved structural models as judged by multiple refinement criteria, thus representing a new effective refinement tool for low-resolution structural determination.« less

  14. Raman microspectroscopy as a diagnostic tool for the non-invasive analysis of fibrillin-1 deficiency in the skin and in the in vitro skin models.

    PubMed

    Brauchle, Eva; Bauer, Hannah; Fernes, Patrick; Zuk, Alexandra; Schenke-Layland, Katja; Sengle, Gerhard

    2017-04-01

    Fibrillin microfibrils and elastic fibers are critical determinants of elastic tissues where they define as tissue-specific architectures vital mechanical properties such as pliability and elastic recoil. Fibrillin microfibrils also facilitate elastic fiber formation and support the association of epithelial cells with the interstitial matrix. Mutations in fibrillin-1 (FBN1) are causative for the Marfan syndrome, a congenital multisystem disorder characterized by progressive deterioration of the fibrillin microfibril/ elastic fiber architecture in the cardiovascular, musculoskeletal, ocular, and dermal system. In this study, we utilized Raman microspectroscopy in combination with principal component analysis (PCA) to analyze the molecular consequences of fibrillin-1 deficiency in skin of a mouse model (GT8) of Marfan syndrome. In addition, full-thickness skin models incorporating murine wild-type and Fbn1 GT8/GT8 fibroblasts as well as human HaCaT keratinocytes were generated and analyzed. Skin models containing GT8 fibroblasts showed an altered epidermal morphology when compared to wild-type models indicating a new role for fibrillin-1 in dermal-epidermal crosstalk. Obtained Raman spectra together with PCA allowed to discriminate between healthy and deficient microfibrillar networks in murine dermis and skin models. Interestingly, results obtained from GT8 dermis and skin models showed similar alterations in molecular signatures triggered by fibrillin-1 deficiency such as amide III vibrations and decreased levels of glycan vibrations. Overall, this study indicates that Raman microspectroscopy has the potential to analyze subtle changes in fibrillin-1 microfibrils and elastic fiber networks. Therefore Raman microspectroscopy may be utilized as a non-invasive and sensitive diagnostic tool to identify connective tissue disorders and monitor their disease progression. Mutations in building blocks of the fibrillin microfibril/ elastic fiber network manifest in disease conditions such as aneurysms, emphysema or lax skin. Understanding how structural changes induced by fibrillin-1 mutation impact the architecture of fibrillin microfibrils, which then translates into an altered activation state of targeted growth factors, represents a huge challenge in elucidating the genotype-phenotype correlations in connective tissue disorders such as Marfan syndrome. This study shows that Raman microspectroscopy is able to reveal structural changes in fibrillin-1 microfibrils and elastic fiber networks and to discriminate between normal and diseased networks in vivo and in vitro. Therefore Raman microspectroscopy may be utilized as a non-invasive and sensitive diagnostic tool to identify connective tissue disorders and monitor their disease progression. Copyright © 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  15. Study on key technologies of vehicle networking system platform for electric automobiles based on micro-service

    NASA Astrophysics Data System (ADS)

    Ye, Fei

    2018-04-01

    With the rapid increase of electric automobiles and charging piles, the elastic expansion and online rapid upgrade were required for the vehicle networking system platform (system platform for short). At present, it is difficult to meet the operation needs due to the traditional huge rock architecture used by the system platform. This paper studied the system platform technology architecture based on "cloud platform +micro-service" to obtain a new generation of vehicle networking system platform with the combination of elastic expansion and application, thus significantly improving the service operation ability of system.

  16. Two web-based laboratories of the FisL@bs network: Hooke's and Snell's laws

    NASA Astrophysics Data System (ADS)

    de la Torre, L.; Sánchez, J.; Dormido, S.; Sánchez, J. P.; Yuste, M.; Carreras, C.

    2011-03-01

    FisL@bs is a network of remote and virtual laboratories for physics university education via the Internet that offers students the possibility of performing hands-on experiments in different fields of physics in two ways: simulation and real remote operation. This paper gives a detailed account of a novel way in physics in which distance learning students can gain practical experience autonomously. FisL@bs uses the same structure as AutomatL@bs, a network of virtual and remote laboratories for learning/teaching of control engineering, which has been in operation for four years. Students can experiment with the laboratories offered using an Internet connection and a Java-compatible web browser. This paper, specially intended for university educators but easily comprehensible even for undergraduate students, explains how the portal works and the hardware and software tools used to create it. In addition, it also describes two physics experiments already available: spring elasticity and the laws of reflection and refraction.

  17. Shocks in fragile matter

    NASA Astrophysics Data System (ADS)

    Vitelli, Vincenzo

    2012-02-01

    Non-linear sound is an extreme phenomenon typically observed in solids after violent explosions. But granular media are different. Right when they unjam, these fragile and disordered solids exhibit vanishing elastic moduli and sound speed, so that even tiny mechanical perturbations form supersonic shocks. Here, we perform simulations in which two-dimensional jammed granular packings are continuously compressed, and demonstrate that the resulting excitations are strongly nonlinear shocks, rather than linear waves. We capture the full dependence of the shock speed on pressure and compression speed by a surprisingly simple analytical model. We also treat shear shocks within a simplified viscoelastic model of nearly-isostatic random networks comprised of harmonic springs. In this case, anharmonicity does not originate locally from nonlinear interactions between particles, as in granular media; instead, it emerges from the global architecture of the network. As a result, the diverging width of the shear shocks bears a nonlinear signature of the diverging isostatic length associated with the loss of rigidity in these floppy networks.

  18. Shape memory polymer network with thermally distinct elasticity and plasticity.

    PubMed

    Zhao, Qian; Zou, Weike; Luo, Yingwu; Xie, Tao

    2016-01-01

    Stimuli-responsive materials with sophisticated yet controllable shape-changing behaviors are highly desirable for real-world device applications. Among various shape-changing materials, the elastic nature of shape memory polymers allows fixation of temporary shapes that can recover on demand, whereas polymers with exchangeable bonds can undergo permanent shape change via plasticity. We integrate the elasticity and plasticity into a single polymer network. Rational molecular design allows these two opposite behaviors to be realized at different temperature ranges without any overlap. By exploring the cumulative nature of the plasticity, we demonstrate easy manipulation of highly complex shapes that is otherwise extremely challenging. The dynamic shape-changing behavior paves a new way for fabricating geometrically complex multifunctional devices.

  19. The correlation between nano-hardness and elasticity and fullerene-like clusters in hydrogenated amorphous carbon films

    NASA Astrophysics Data System (ADS)

    Wang, Yongfu; Gao, Kaixiong; Wang, Qi; Zhang, Junyan

    2018-01-01

    Fullerene-like hydrogenated carbon films have outstanding mechanical and frictional properties, but their structures have never enjoyed elaboration. In this study, we investigate the relation between nano-hardness and elasticity and fullerene-like clusters by changing energy supply form (direct current and pulse) and H2 concentration in the feedstock. It is found that the films have a network of H-rich amorphous carbon and H-poor or -deficient fullerene-like carbon, and the network change can affect hardness and elastic recovery. This is due to the energy minimization process of the film growing system in a very short pulse period at low temperature.

  20. Simulations of X-ray diffraction of shock-compressed single-crystal tantalum with synchrotron undulator sources.

    PubMed

    Tang, M X; Zhang, Y Y; E, J C; Luo, S N

    2018-05-01

    Polychromatic synchrotron undulator X-ray sources are useful for ultrafast single-crystal diffraction under shock compression. Here, simulations of X-ray diffraction of shock-compressed single-crystal tantalum with realistic undulator sources are reported, based on large-scale molecular dynamics simulations. Purely elastic deformation, elastic-plastic two-wave structure, and severe plastic deformation under different impact velocities are explored, as well as an edge release case. Transmission-mode diffraction simulations consider crystallographic orientation, loading direction, incident beam direction, X-ray spectrum bandwidth and realistic detector size. Diffraction patterns and reciprocal space nodes are obtained from atomic configurations for different loading (elastic and plastic) and detection conditions, and interpretation of the diffraction patterns is discussed.

  1. Engineering the Mechanical Properties of Polymer Networks with Precise Doping of Primary Defects.

    PubMed

    Chan, Doreen; Ding, Yichuan; Dauskardt, Reinhold H; Appel, Eric A

    2017-12-06

    Polymer networks are extensively utilized across numerous applications ranging from commodity superabsorbent polymers and coatings to high-performance microelectronics and biomaterials. For many applications, desirable properties are known; however, achieving them has been challenging. Additionally, the accurate prediction of elastic modulus has been a long-standing difficulty owing to the presence of loops. By tuning the prepolymer formulation through precise doping of monomers, specific primary network defects can be programmed into an elastomeric scaffold, without alteration of their resulting chemistry. The addition of these monomers that respond mechanically as primary defects is used both to understand their impact on the resulting mechanical properties of the materials and as a method to engineer the mechanical properties. Indeed, these materials exhibit identical bulk and surface chemistry, yet vastly different mechanical properties. Further, we have adapted the real elastic network theory (RENT) to the case of primary defects in the absence of loops, thus providing new insights into the mechanism for material strength and failure in polymer networks arising from primary network defects, and to accurately predict the elastic modulus of the polymer system. The versatility of the approach we describe and the fundamental knowledge gained from this study can lead to new advancements in the development of novel materials with precisely defined and predictable chemical, physical, and mechanical properties.

  2. A statistical analysis of the elastic distortion and dislocation density fields in deformed crystals

    DOE PAGES

    Mohamed, Mamdouh S.; Larson, Bennett C.; Tischler, Jonathan Z.; ...

    2015-05-18

    The statistical properties of the elastic distortion fields of dislocations in deforming crystals are investigated using the method of discrete dislocation dynamics to simulate dislocation structures and dislocation density evolution under tensile loading. Probability distribution functions (PDF) and pair correlation functions (PCF) of the simulated internal elastic strains and lattice rotations are generated for tensile strain levels up to 0.85%. The PDFs of simulated lattice rotation are compared with sub-micrometer resolution three-dimensional X-ray microscopy measurements of rotation magnitudes and deformation length scales in 1.0% and 2.3% compression strained Cu single crystals to explore the linkage between experiment and the theoreticalmore » analysis. The statistical properties of the deformation simulations are analyzed through determinations of the Nye and Kr ner dislocation density tensors. The significance of the magnitudes and the length scales of the elastic strain and the rotation parts of dislocation density tensors are demonstrated, and their relevance to understanding the fundamental aspects of deformation is discussed.« less

  3. Performance evaluation of data center service localization based on virtual resource migration in software defined elastic optical network.

    PubMed

    Yang, Hui; Zhang, Jie; Ji, Yuefeng; Tan, Yuanlong; Lin, Yi; Han, Jianrui; Lee, Young

    2015-09-07

    Data center interconnection with elastic optical network is a promising scenario to meet the high burstiness and high-bandwidth requirements of data center services. In our previous work, we implemented cross stratum optimization of optical network and application stratums resources that allows to accommodate data center services. In view of this, this study extends the data center resources to user side to enhance the end-to-end quality of service. We propose a novel data center service localization (DCSL) architecture based on virtual resource migration in software defined elastic data center optical network. A migration evaluation scheme (MES) is introduced for DCSL based on the proposed architecture. The DCSL can enhance the responsiveness to the dynamic end-to-end data center demands, and effectively reduce the blocking probability to globally optimize optical network and application resources. The overall feasibility and efficiency of the proposed architecture are experimentally verified on the control plane of our OpenFlow-based enhanced SDN testbed. The performance of MES scheme under heavy traffic load scenario is also quantitatively evaluated based on DCSL architecture in terms of path blocking probability, provisioning latency and resource utilization, compared with other provisioning scheme.

  4. A neural network for controlling the configuration of frame structure with elastic members

    NASA Technical Reports Server (NTRS)

    Tsutsumi, Kazuyoshi

    1989-01-01

    A neural network for controlling the configuration of frame structure with elastic members is proposed. In the present network, the structure is modeled not by using the relative angles of the members but by using the distances between the joint locations alone. The relationship between the environment and the joints is also defined by their mutual distances. The analog neural network attains the reaching motion of the manipulator as a minimization problem of the energy constructed by the distances between the joints, the target, and the obstacles. The network can generate not only the final but also the transient configurations and the trajectory. This framework with flexibility and parallelism is very suitable for controlling the Space Telerobotic systems with many degrees of freedom.

  5. Printable elastic conductors by in situ formation of silver nanoparticles from silver flakes

    NASA Astrophysics Data System (ADS)

    Matsuhisa, Naoji; Inoue, Daishi; Zalar, Peter; Jin, Hanbit; Matsuba, Yorishige; Itoh, Akira; Yokota, Tomoyuki; Hashizume, Daisuke; Someya, Takao

    2017-08-01

    Printable elastic conductors promise large-area stretchable sensor/actuator networks for healthcare, wearables and robotics. Elastomers with metal nanoparticles are one of the best approaches to achieve high performance, but large-area utilization is limited by difficulties in their processability. Here we report a printable elastic conductor containing Ag nanoparticles that are formed in situ, solely by mixing micrometre-sized Ag flakes, fluorine rubbers, and surfactant. Our printable elastic composites exhibit conductivity higher than 4,000 S cm-1 (highest value: 6,168 S cm-1) at 0% strain, and 935 S cm-1 when stretched up to 400%. Ag nanoparticle formation is influenced by the surfactant, heating processes, and elastomer molecular weight, resulting in a drastic improvement of conductivity. Fully printed sensor networks for stretchable robots are demonstrated, sensing pressure and temperature accurately, even when stretched over 250%.

  6. Investigation of the elastic modulus, tensile and flexural strength of five skull simulant materials for impact testing of a forensic skin/skull/brain model.

    PubMed

    Falland-Cheung, Lisa; Waddell, J Neil; Chun Li, Kai; Tong, Darryl; Brunton, Paul

    2017-04-01

    Conducting in vitro research for forensic, impact and injury simulation modelling generally involves the use of a skull simulant with mechanical properties similar to those found in the human skull. For this study epoxy resin, fibre filled epoxy resin, 3D-printing filaments (PETG, PLA) and self-cure acrylic denture base resin were used to fabricate the specimens (n=20 per material group), according to ISO 527-2 IBB and ISO20795-1. Tensile and flexural testing in a universal testing machine was used to measure their tensile/flexural elastic modulus and strength. The results showed that the epoxy resin and fibre filled epoxy resin had similar tensile elastic moduli (no statistical significant difference) with lower values observed for the other materials. The fibre filled epoxy resin had a considerably higher flexural elastic modulus and strength, possibly attributed to the presence of fibres. Of the simulants tested, epoxy resin had an elastic modulus and flexural strength close to that of mean human skull values reported in the literature, and thus can be considered as a suitable skull simulant for a skin/skull/brain model for lower impact forces that do not exceed the fracture stress. For higher impact forces a 3D printing filament (PLA) may be a more suitable skull simulant material, due to its closer match to fracture stresses found in human skull bone. Influencing factors were also anisotropy, heterogeneity and viscoelasticity of human skull bone and simulant specimens. Copyright © 2017 Elsevier Ltd. All rights reserved.

  7. SDN control of optical nodes in metro networks for high capacity inter-datacentre links

    NASA Astrophysics Data System (ADS)

    Magalhães, Eduardo; Perry, Philip; Barry, Liam

    2017-11-01

    Worldwide demand for bandwidth has been growing fast for some years and continues to do so. To cover this, mega datacentres need scalable connectivity to provide rich connectivity to handle the heavy traffic across them. Therefore, hardware infrastructures must be able to play different roles according to service and traffic requirements. In this context, software defined networking (SDN) decouples the network control and forwarding functions enabling the network control to become directly programmable and the underlying infrastructure to be abstracted for applications and network services. In addition, elastic optical networking (EON) technologies enable efficient spectrum utilization by allocating variable bandwidth to each user according to their actual needs. In particular, flexible transponders and reconfigurable optical add/drop multiplexers (ROADMs) are key elements since they can offer degrees of freedom to self adapt accordingly. Thus, it is crucial to design control methods in order to optimize the hardware utilization and offer high reconfigurability, flexibility and adaptability. In this paper, we propose and analyze, using a simulation framework, a method of capacity maximization through optical power profile manipulation for inter datacentre links that use existing metropolitan optical networks by exploiting the global network view afforded by SDN. Results show that manipulating the loss profiles of the ROADMs in the metro-network can yield optical signal-to-noise ratio (OSNR) improvements up to 10 dB leading to an increase in 112% in total capacity.

  8. Image-based model of the spectrin cytoskeleton for red blood cell simulation.

    PubMed

    Fai, Thomas G; Leo-Macias, Alejandra; Stokes, David L; Peskin, Charles S

    2017-10-01

    We simulate deformable red blood cells in the microcirculation using the immersed boundary method with a cytoskeletal model that incorporates structural details revealed by tomographic images. The elasticity of red blood cells is known to be supplied by both their lipid bilayer membranes, which resist bending and local changes in area, and their cytoskeletons, which resist in-plane shear. The cytoskeleton consists of spectrin tetramers that are tethered to the lipid bilayer by ankyrin and by actin-based junctional complexes. We model the cytoskeleton as a random geometric graph, with nodes corresponding to junctional complexes and with edges corresponding to spectrin tetramers such that the edge lengths are given by the end-to-end distances between nodes. The statistical properties of this graph are based on distributions gathered from three-dimensional tomographic images of the cytoskeleton by a segmentation algorithm. We show that the elastic response of our model cytoskeleton, in which the spectrin polymers are treated as entropic springs, is in good agreement with the experimentally measured shear modulus. By simulating red blood cells in flow with the immersed boundary method, we compare this discrete cytoskeletal model to an existing continuum model and predict the extent to which dynamic spectrin network connectivity can protect against failure in the case of a red cell subjected to an applied strain. The methods presented here could form the basis of disease- and patient-specific computational studies of hereditary diseases affecting the red cell cytoskeleton.

  9. Image-based model of the spectrin cytoskeleton for red blood cell simulation

    PubMed Central

    Stokes, David L.; Peskin, Charles S.

    2017-01-01

    We simulate deformable red blood cells in the microcirculation using the immersed boundary method with a cytoskeletal model that incorporates structural details revealed by tomographic images. The elasticity of red blood cells is known to be supplied by both their lipid bilayer membranes, which resist bending and local changes in area, and their cytoskeletons, which resist in-plane shear. The cytoskeleton consists of spectrin tetramers that are tethered to the lipid bilayer by ankyrin and by actin-based junctional complexes. We model the cytoskeleton as a random geometric graph, with nodes corresponding to junctional complexes and with edges corresponding to spectrin tetramers such that the edge lengths are given by the end-to-end distances between nodes. The statistical properties of this graph are based on distributions gathered from three-dimensional tomographic images of the cytoskeleton by a segmentation algorithm. We show that the elastic response of our model cytoskeleton, in which the spectrin polymers are treated as entropic springs, is in good agreement with the experimentally measured shear modulus. By simulating red blood cells in flow with the immersed boundary method, we compare this discrete cytoskeletal model to an existing continuum model and predict the extent to which dynamic spectrin network connectivity can protect against failure in the case of a red cell subjected to an applied strain. The methods presented here could form the basis of disease- and patient-specific computational studies of hereditary diseases affecting the red cell cytoskeleton. PMID:28991926

  10. Greenland GPS network: Measurements and Models of 3D Elastic deformation

    NASA Astrophysics Data System (ADS)

    Khan, S. A.; van Dam, T. M.; Bevis, M. G.; Sasgen, I.; Bamber, J. L.; Helm, V.; Bjork, A. A.; Liu, L.; Kjaer, K. H.; Knudsen, P.; Kjeldsen, K. K.

    2017-12-01

    The Greenland GPS Network (GNET) uses the Global Positioning System (GPS) to measure the displacement of bedrock exposed near the margins of the Greenland ice sheet. The entire network is uplifting in response to past and present-day changes in ice mass. Here, we focus on present-day changes and compare measurements with models. To retrieve 3D elastic displacements from GPS time series, we correct our observations for glacial-isostatic adjustment and tectonic plate motion, and study the effect of the underlying mantle viscosity, ice load history and Euler parameters. To model 3D elastic displacements, we first estimate mass loss using 1995-2014 NASA's Airborne Topographic Mapper (ATM) flights derived altimetry, supplemented with laser altimetry observations from the Ice, Cloud, and Land Elevation Satellite (ICESat) during 2003-2009; the airborne Land, Vegetation, and Ice Sensor (LVIS) instrument during 2007-2013; radar altimetry from the CryoSat-2 satellite during 2010-2017; and European Remote-Sensing Satellite-1 (ERS-1) and ERS-2 data during 1995-2003. We converted the volume loss rate into a mass loss rate accounting for firn compaction as described by Kuipers Munneke et al. (2015). We predict the elastic displacements by convolving mass loss estimates with Green's functions for vertical and horizontal displacements. We use a variety of elastic Green's functions and mass change grid resolutions, respectively, to study the sensitivity of 3D elastic deformation on Earth model parameters different from the Preliminary Reference Earth Reference Model (PREM; Dziewonski & Anderson 1981) and the forcing ice load.

  11. Fast Computation of High Energy Elastic Collision Scattering Angle for Electric Propulsion Plume Simulation (Conference Paper with Briefing Charts)

    DTIC Science & Technology

    2016-07-10

    Elastic Collision Scattering Angle for Electric Propulsion Plume Simulation 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6...atom needs to be sampled; however, it is confirmed that initial target atom velocity does not play significant role in typical electric propulsion ...by ANSI Std. 239.18 Fast Computation of High Energy Elastic Collision Scattering Angle for Electric Propulsion Plume Simulation∗ Samuel J. Araki1

  12. Elastic properties, reaction kinetics, and structural relaxation of an epoxy resin polymer during cure

    NASA Astrophysics Data System (ADS)

    Heili, Manon; Bielawski, Andrew; Kieffer, John

    The cure kinetics of a DGEBA/DETA epoxy is investigated using concurrent Raman and Brillouin light scattering. Raman scattering allows us to monitor the in-situ reaction and quantitatively assess the degree of cure. Brillouin scattering yields the elastic properties of the system, providing a measure of network connectivity. We show that the adiabatic modulus evolves non-uniquely as a function of cure degree, depending on the cure temperature and the molar ratio of the epoxy. Two mechanisms contribute to the increase in the elastic modulus of the material during curing. First, there is the formation of covalent bonds in the network during the curing process. Second, following bond formation, the epoxy undergoes structural relaxation toward an optimally packed network configuration, enhancing non-bonded interactions. We investigate to what extent the non-bonded interaction contribution to structural rigidity in cross-linked polymers is reversible, and to what extent it corresponds to the difference between adiabatic and isothermal moduli obtained from static tensile, i.e. the so-called relaxational modulus. To this end, we simultaneously measure the adiabatic and isothermal elastic moduli as a function of applied strain and deformation rate.

  13. A three-dimensional collagen-fiber network model of the extracellular matrix for the simulation of the mechanical behaviors and micro structures.

    PubMed

    Dong, Shoubin; Huang, Zetao; Tang, Liqun; Zhang, Xiaoyang; Zhang, Yongrou; Jiang, Yi

    2017-07-01

    The extracellular matrix (ECM) provides structural and biochemical support to cells and tissues, which is a critical factor for modulating cell dynamic behavior and intercellular communication. In order to further understand the mechanisms of the interactive relationship between cell and the ECM, we developed a three-dimensional (3D) collagen-fiber network model to simulate the micro structure and mechanical behaviors of the ECM and studied the stress-strain relationship as well as the deformation of the ECM under tension. In the model, the collagen-fiber network consists of abundant random distributed collagen fibers and some crosslinks, in which each fiber is modeled as an elastic beam and a crosslink is modeled as a linear spring with tensile limit, it means crosslinks will fail while the tensile forces exceed the limit of spring. With the given parameters of the beam and the spring, the simulated tensile stress-strain relation of the ECM highly matches the experimental results including damaged and failed behaviors. Moreover, by applying the maximal inscribed sphere method, we measured the size distribution of pores in the fiber network and learned the variation of the distribution with deformation. We also defined the alignment of the collagen-fibers to depict the orientation of fibers in the ECM quantitatively. By the study of changes of the alignment and the damaged crosslinks against the tensile strain, this paper reveals the comprehensive mechanisms of four stages of 'toe', 'linear', 'damage' and 'failure' in the tensile stress-strain relation of the ECM which can provide further insight in the study of cell-ECM interaction.

  14. Hydrogen adsorption and desorption with 3D silicon nanotube-network and film-network structures: Monte Carlo simulations

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

    Li, Ming; Kang, Zhan, E-mail: zhankang@dlut.edu.cn; Huang, Xiaobo

    2015-08-28

    Hydrogen is clean, sustainable, and renewable, thus is viewed as promising energy carrier. However, its industrial utilization is greatly hampered by the lack of effective hydrogen storage and release method. Carbon nanotubes (CNTs) were viewed as one of the potential hydrogen containers, but it has been proved that pure CNTs cannot attain the desired target capacity of hydrogen storage. In this paper, we present a numerical study on the material-driven and structure-driven hydrogen adsorption of 3D silicon networks and propose a deformation-driven hydrogen desorption approach based on molecular simulations. Two types of 3D nanostructures, silicon nanotube-network (Si-NN) and silicon film-networkmore » (Si-FN), are first investigated in terms of hydrogen adsorption and desorption capacity with grand canonical Monte Carlo simulations. It is revealed that the hydrogen storage capacity is determined by the lithium doping ratio and geometrical parameters, and the maximum hydrogen uptake can be achieved by a 3D nanostructure with optimal configuration and doping ratio obtained through design optimization technique. For hydrogen desorption, a mechanical-deformation-driven-hydrogen-release approach is proposed. Compared with temperature/pressure change-induced hydrogen desorption method, the proposed approach is so effective that nearly complete hydrogen desorption can be achieved by Si-FN nanostructures under sufficient compression but without structural failure observed. The approach is also reversible since the mechanical deformation in Si-FN nanostructures can be elastically recovered, which suggests a good reusability. This study may shed light on the mechanism of hydrogen adsorption and desorption and thus provide useful guidance toward engineering design of microstructural hydrogen (or other gas) adsorption materials.« less

  15. Packing Regularities in Biological Structures Relate to Their Dynamics

    PubMed Central

    Jernigan, Robert L.; Kloczkowski, Andrzej

    2007-01-01

    The high packing density inside proteins leads to certain geometric regularities and also is one of the most important contributors to the high extent of cooperativity manifested by proteins in their cohesive domain motions. The orientations between neighboring non-bonded residues in proteins substantially follow the similar geometric regularities, regardless of whether the residues are on the surface or buried - a direct result of hydrophobicity forces. These orientations are relatively fixed and correspond closely to small deformations from those of the face-centered cubic lattice, which is the way in which identical spheres pack at the highest density. Packing density also is related to the extent of conservation of residues, and we show this relationship for residue packing densities by averaging over a large sample or residue packings. There are three regimes: 1) over a broad range of packing densities the relationship between sequence entropy and inverse packing density is nearly linear, 2) over a limited range of low packing densities the sequence entropy is nearly constant, and 3) at extremely low packing densities the sequence entropy is highly variable. These packing results provide important justification for the simple elastic network models that have been shown for a large number of proteins to represent protein dynamics so successfully, even when the models are extremely coarse-grained. Elastic network models for polymeric chains are simple and could be combined with these protein elastic networks to represent partially denatured parts of proteins. Finally, we show results of applications of the elastic network model to study the functional motions of the ribosome, based on its known structure. These results indicate expected correlations among its components for the step-wise processing steps in protein synthesis, and suggest ways to use these elastic network models to develop more detailed mechanisms - an important possibility, since most experiments yield only static structures. PMID:16957327

  16. Effect of pendent chains on the interfacial properties of thin polydimethylsiloxane (PDMS) networks.

    PubMed

    Landherr, Lucas J T; Cohen, Claude; Archer, Lynden A

    2011-05-17

    The interfacial properties of end-linked polydimethylsiloxane (PDMS) films on silicon are examined. Thin cross-linked PDMS films (∼10 μm thick) were synthesized over a self-assembled monolayer supported on a silicon wafer. By systematically varying the concentration of monofunctional PDMS in a mixture with telechelic precursor molecules, structures ranging from near-ideal elastic networks to poorly cross-linked networks composed of a preponderance of dangling/pendent chains were synthesized. Lateral force microscopy (LFM) employing bead probes was used to quantify the effect of network structure on the interfacial friction coefficient and residual force. Indentation measurements employing an AFM in force mode were used to characterize the elastic modulus and the pull-off force for the films as a function of pendent chain content. These measurements were complemented with conventional mechanical rheometry measurements on similar thick network films to determine their bulk rheological properties. All networks studied manifested interfacial friction coefficients substantially lower than that of bare silicon. PDMS networks with the lowest pendent chain content displayed friction coefficients close to 1 order of magnitude lower than that of bare silicon, whereas networks with the highest pendent chain content manifested friction coefficients about 3 times lower than that of bare silicon. At intermediate sliding velocities, a crossover in the interfacial friction coefficient was observed, wherein cross-linked PDMS films with the least amount of pendent chains exhibit the highest friction coefficient. These observations are discussed in terms of the structure of the films and relaxation dynamics of elastic strands and dangling chains in tethered network films.

  17. Effective-medium theory of elastic waves in random networks of rods.

    PubMed

    Katz, J I; Hoffman, J J; Conradi, M S; Miller, J G

    2012-06-01

    We formulate an effective medium (mean field) theory of a material consisting of randomly distributed nodes connected by straight slender rods, hinged at the nodes. Defining wavelength-dependent effective elastic moduli, we calculate both the static moduli and the dispersion relations of ultrasonic longitudinal and transverse elastic waves. At finite wave vector k the waves are dispersive, with phase and group velocities decreasing with increasing wave vector. These results are directly applicable to networks with empty pore space. They also describe the solid matrix in two-component (Biot) theories of fluid-filled porous media. We suggest the possibility of low density materials with higher ratios of stiffness and strength to density than those of foams, aerogels, or trabecular bone.

  18. Shape memory polymer network with thermally distinct elasticity and plasticity

    PubMed Central

    Zhao, Qian; Zou, Weike; Luo, Yingwu; Xie, Tao

    2016-01-01

    Stimuli-responsive materials with sophisticated yet controllable shape-changing behaviors are highly desirable for real-world device applications. Among various shape-changing materials, the elastic nature of shape memory polymers allows fixation of temporary shapes that can recover on demand, whereas polymers with exchangeable bonds can undergo permanent shape change via plasticity. We integrate the elasticity and plasticity into a single polymer network. Rational molecular design allows these two opposite behaviors to be realized at different temperature ranges without any overlap. By exploring the cumulative nature of the plasticity, we demonstrate easy manipulation of highly complex shapes that is otherwise extremely challenging. The dynamic shape-changing behavior paves a new way for fabricating geometrically complex multifunctional devices. PMID:26824077

  19. Phase field benchmark problems for dendritic growth and linear elasticity

    DOE PAGES

    Jokisaari, Andrea M.; Voorhees, P. W.; Guyer, Jonathan E.; ...

    2018-03-26

    We present the second set of benchmark problems for phase field models that are being jointly developed by the Center for Hierarchical Materials Design (CHiMaD) and the National Institute of Standards and Technology (NIST) along with input from other members in the phase field community. As the integrated computational materials engineering (ICME) approach to materials design has gained traction, there is an increasing need for quantitative phase field results. New algorithms and numerical implementations increase computational capabilities, necessitating standard problems to evaluate their impact on simulated microstructure evolution as well as their computational performance. We propose one benchmark problem formore » solidifiication and dendritic growth in a single-component system, and one problem for linear elasticity via the shape evolution of an elastically constrained precipitate. We demonstrate the utility and sensitivity of the benchmark problems by comparing the results of 1) dendritic growth simulations performed with different time integrators and 2) elastically constrained precipitate simulations with different precipitate sizes, initial conditions, and elastic moduli. As a result, these numerical benchmark problems will provide a consistent basis for evaluating different algorithms, both existing and those to be developed in the future, for accuracy and computational efficiency when applied to simulate physics often incorporated in phase field models.« less

  20. Phase field benchmark problems for dendritic growth and linear elasticity

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

    Jokisaari, Andrea M.; Voorhees, P. W.; Guyer, Jonathan E.

    We present the second set of benchmark problems for phase field models that are being jointly developed by the Center for Hierarchical Materials Design (CHiMaD) and the National Institute of Standards and Technology (NIST) along with input from other members in the phase field community. As the integrated computational materials engineering (ICME) approach to materials design has gained traction, there is an increasing need for quantitative phase field results. New algorithms and numerical implementations increase computational capabilities, necessitating standard problems to evaluate their impact on simulated microstructure evolution as well as their computational performance. We propose one benchmark problem formore » solidifiication and dendritic growth in a single-component system, and one problem for linear elasticity via the shape evolution of an elastically constrained precipitate. We demonstrate the utility and sensitivity of the benchmark problems by comparing the results of 1) dendritic growth simulations performed with different time integrators and 2) elastically constrained precipitate simulations with different precipitate sizes, initial conditions, and elastic moduli. As a result, these numerical benchmark problems will provide a consistent basis for evaluating different algorithms, both existing and those to be developed in the future, for accuracy and computational efficiency when applied to simulate physics often incorporated in phase field models.« less

  1. Elastic Network Models For Biomolecular Dynamics: Theory and Application to Membrane Proteins and Viruses

    NASA Astrophysics Data System (ADS)

    Lezon, Timothy R.; Shrivastava, Indira H.; Yang, Zheng; Bahar, Ivet

    The following sections are included: * Introduction * Theory and Assumptions * Statistical mechanical foundations * Anisotropic network models * Gaussian network model * Rigid block models * Treatment of perturbations * Langevin dynamics * Applications * Membrane proteins * Viruses * Conclusion * References

  2. FEM simulation of the die compaction of pharmaceutical products: influence of visco-elastic phenomena and comparison with experiments.

    PubMed

    Diarra, Harona; Mazel, Vincent; Busignies, Virginie; Tchoreloff, Pierre

    2013-09-10

    This work studies the influence of visco-elastic behavior in the finite element method (FEM) modeling of die compaction of pharmaceutical products and how such a visco-elastic behavior may improve the agreement between experimental and simulated compression curves. The modeling of the process was conducted on a pharmaceutical excipient, microcrystalline cellulose (MCC), by using Drucker-Prager cap model coupled with creep behavior in Abaqus(®) software. The experimental data were obtained on a compaction simulator (STYLCAM 200R). The elastic deformation of the press was determined by performing experimental tests on a calibration disk and was introduced in the simulation. Numerical optimization was performed to characterize creep parameters. The use of creep behavior in the simulations clearly improved the agreement between the numerical and experimental compression curves (stresses, thickness), mainly during the unloading part of the compaction cycle. For the first time, it was possible to reproduce numerically the fact that the minimum tablet thickness is not obtained at the maximum compression stress. This study proves that creep behavior must be taken into account when modeling the compaction of pharmaceutical products using FEM methods. Copyright © 2013 Elsevier B.V. All rights reserved.

  3. Gelation And Mechanical Response of Patchy Rods

    NASA Astrophysics Data System (ADS)

    Kazem, Navid; Majidi, Carmel; Maloney, Craig

    We perform Brownian Dynamics simulations to study the gelation of suspensions of attractive, rod-like particles. We show that details of the particle-particle interactions can dramatically affect the dynamics of gelation and the structure and mechanics of the networks that form. If the attraction between the rods is perfectly smooth along their length, they will collapse into compact bundles. If the attraction is sufficiently corrugated or patchy, over time, a rigid space spanning network forms. We study the structure and mechanical properties of the networks that form as a function of the fraction of the surface that is allowed to bind. Surprisingly, the structural and mechanical properties are non-monotonic in the surface coverage. At low coverage, there are not a sufficient number of cross-linking sites to form networks. At high coverage, rods bundle and form disconnected clusters. At intermediate coverage, robust networks form. The elastic modulus and yield stress are both non-monotonic in the surface coverage. The stiffest and strongest networks show an essentially homogeneous deformation under strain with rods re-orienting along the extensional axis. Weaker, clumpy networks at high surface coverage exhibit relatively little re-orienting with strong non-affine deformation. These results suggest design strategies for tailoring surface interactions between rods to yield rigid networks with optimal properties. National Science Foundation and the Air Force Office of Scientific Research.

  4. Variation of the energy release rate as a crack approaches and passes through an elastic inclusion

    NASA Astrophysics Data System (ADS)

    Li, Rongshun; Chudnovsky, A.

    1993-02-01

    The variation of the energy release rate (ERP) at the tip of a crack penetrating an elastic inclusion is analyzed using an approach involving modeling the random array of microcracks or other defects by an elastic inclusion with effective elastic properties. Computations are carried out using a finite element procedure. The eight-noded isoparametric serendipity element with the shift of the midpoint to the quarter-point is used to simulate the singularity at the crack tip, and the crack growth is accommodated by implementing a mesh regeneration technique. The ERP values were calculated for various crack tip positions which simulate the process of the crack approaching and penetrating the inclusion.

  5. Variation of the energy release rate as a crack approaches and passes through an elastic inclusion

    NASA Technical Reports Server (NTRS)

    Li, Rongshun; Chudnovsky, A.

    1993-01-01

    The variation of the energy release rate (ERP) at the tip of a crack penetrating an elastic inclusion is analyzed using an approach involving modeling the random array of microcracks or other defects by an elastic inclusion with effective elastic properties. Computations are carried out using a finite element procedure. The eight-noded isoparametric serendipity element with the shift of the midpoint to the quarter-point is used to simulate the singularity at the crack tip, and the crack growth is accommodated by implementing a mesh regeneration technique. The ERP values were calculated for various crack tip positions which simulate the process of the crack approaching and penetrating the inclusion.

  6. Buckling of paramagnetic chains in soft gels

    NASA Astrophysics Data System (ADS)

    Huang, Shilin; Pessot, Giorgio; Cremer, Peet; Weeber, Rudolf; Holm, Christian; Nowak, Johannes; Odenbach, Stefan; Menzel, Andreas M.; Auernhammer, Günter K.

    We study the magneto-elastic coupling behavior of paramagnetic chains in soft polymer gels exposed to external magnetic fields. To this end, a laser scanning confocal microscope is used to observe the morphology of the paramagnetic chains together with the deformation field of the surrounding gel network. The paramagnetic chains in soft polymer gels show rich morphological shape changes under oblique magnetic fields, in particular a pronounced buckling deformation. The details of the resulting morphological shapes depend on the length of the chain, the strength of the external magnetic field, and the modulus of the gel. Based on the observation that the magnetic chains are strongly coupled to the surrounding polymer network, a simplified model is developed to describe their buckling behavior. A coarse-grained molecular dynamics simulation model featuring an increased matrix stiffness on the surfaces of the particles leads to morphologies in agreement with the experimentally observed buckling effects.

  7. Simulation of Degraded Properties of 2D plain Woven C/SiC Composites under Preloading Oxidation Atmosphere

    NASA Astrophysics Data System (ADS)

    Chen, Xihui; Sun, Zhigang; Sun, Jianfen; Song, Yingdong

    2017-12-01

    In this paper, a numerical model which incorporates the oxidation damage model and the finite element model of 2D plain woven composites is presented for simulation of the oxidation behaviors of 2D plain woven C/SiC composite under preloading oxidation atmosphere. The equal proportional reduction method is firstly proposed to calculate the residual moduli and strength of unidirectional C/SiC composite. The multi-scale method is developed to simulate the residual elastic moduli and strength of 2D plain woven C/SiC composite. The multi-scale method is able to accurately predict the residual elastic modulus and strength of the composite. Besides, the simulated residual elastic moduli and strength of 2D plain woven C/SiC composites under preloading oxidation atmosphere show good agreements with experimental results. Furthermore, the preload, oxidation time, temperature and fiber volume fractions of the composite are investigated to show their influences upon the residual elastic modulus and strength of 2D plain woven C/SiC composites.

  8. Dynamic rheology of food protein networks

    USDA-ARS?s Scientific Manuscript database

    Small amplitude oscillatory shear analyses of samples containing protein are useful for determining the nature of the protein matrix without damaging it. Elastic modulus, viscous modulus, and loss tangent (the ratio of viscous modulus to elastic modulus) give information on the strength of the netw...

  9. Probing the cross-effect of strains in non-linear elasticity of nearly regular polymer networks by pure shear deformation.

    PubMed

    Katashima, Takuya; Urayama, Kenji; Chung, Ung-il; Sakai, Takamasa

    2015-05-07

    The pure shear deformation of the Tetra-polyethylene glycol gels reveals the presence of an explicit cross-effect of strains in the strain energy density function even for the polymer networks with nearly regular structure including no appreciable amount of structural defect such as trapped entanglement. This result is in contrast to the expectation of the classical Gaussian network model (Neo Hookean model), i.e., the vanishing of the cross effect in regular networks with no trapped entanglement. The results show that (1) the cross effect of strains is not dependent on the network-strand length; (2) the cross effect is not affected by the presence of non-network strands; (3) the cross effect is proportional to the network polymer concentration including both elastically effective and ineffective strands; (4) no cross effect is expected exclusively in zero limit of network concentration in real polymer networks. These features indicate that the real polymer networks with regular network structures have an explicit cross-effect of strains, which originates from some interaction between network strands (other than entanglement effect) such as nematic interaction, topological interaction, and excluded volume interaction.

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

    Tudyka, Konrad, E-mail: konrad.tudyka@polsl.pl; Adamiec, Grzegorz; Bluszcz, Andrzej

    We report on a Monte Carlo simulation study of afterpulses due to trace gases in EMI 9235QA photomultipliers that are widely used in many luminescence detection systems operating in single photon counting mode. The numerical simulation takes into account the nonuniform electric field distribution and processes including elastic scattering: e + He → e + He, excitation: e + He → e + He{sup ∗}, ionization: e + He → 2e + He{sup +}, elastic scattering: He{sup +} + He → He{sup +} + He, charge transfer: He{sup +} + He → He{sub f} + He{sup +} (He{sub f} indicatesmore » a fast neutral) and elastic scattering: He{sub f} + He → He{sub f} + He{sub (f)}. The simulated and the measured time of flight distributions agree well. In addition, the above simulated processes demonstrate mechanisms of the observed series of pulses brought about by a single helium atom ionization.« less

  11. Nonlinear Site Response Validation Studies Using KIK-net Strong Motion Data

    NASA Astrophysics Data System (ADS)

    Asimaki, D.; Shi, J.

    2014-12-01

    Earthquake simulations are nowadays producing realistic ground motion time-series in the range of engineering design applications. Of particular significance to engineers are simulations of near-field motions and large magnitude events, for which observations are scarce. With the engineering community slowly adopting the use of simulated ground motions, site response models need to be re-evaluated in terms of their capabilities and limitations to 'translate' the simulated time-series from rock surface output to structural analyses input. In this talk, we evaluate three one-dimensional site response models: linear viscoelastic, equivalent linear and nonlinear. We evaluate the performance of the models by comparing predictions to observations at 30 downhole stations of the Japanese network KIK-Net that have recorded several strong events, including the 2011 Tohoku earthquake. Velocity profiles are used as the only input to all models, while additional parameters such as quality factor, density and nonlinear dynamic soil properties are estimated from empirical correlations. We quantify the differences of ground surface predictions and observations in terms of both seismological and engineering intensity measures, including bias ratios of peak ground response and visual comparisons of elastic spectra, and inelastic to elastic deformation ratio for multiple ductility ratios. We observe that PGV/Vs,30 — as measure of strain— is a better predictor of site nonlinearity than PGA, and that incremental nonlinear analyses are necessary to produce reliable estimates of high-frequency ground motion components at soft sites. We finally discuss the implications of our findings on the parameterization of nonlinear amplification factors in GMPEs, and on the extensive use of equivalent linear analyses in probabilistic seismic hazard procedures.

  12. Ionic supramolecular networks fully based on chemicals coming from renewable sources.

    PubMed

    Aboudzadeh, Ali; Fernandez, Mercedes; Muñoz, Maria Eugenia; Santamaría, Antxon; Mecerreyes, David

    2014-02-01

    New supramolecular ionic networks are synthesized by proton transfer reaction between a bio-based fatty diamine molecule (Priamine 1074) and a series of naturally occurring carboxylic acids such as malonic acid, citric acid, tartaric acid, and 2,5-furandicarboxylic acid. The resulting solid soft material exhibits a thermoreversible transition becoming a viscoelastic liquid at high temperatures. All the networks show an elastic behavior at low temperatures/high frequencies, with elastic modulus values ranging from 4.5 × 10(6) to 4.5 × 10(7) Pa and soft network to liquid transitions T(nl) between -10 and 60 °C. The supramolecular ionic network based on cationic Priamine 1074 and anionic citrate shows promising self-healing properties at room temperature as well as relatively high ionic conductivity values close to 10(-6) S cm(-1). © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Optimal Electricity Charge Strategy Based on Price Elasticity of Demand for Users

    NASA Astrophysics Data System (ADS)

    Li, Xin; Xu, Daidai; Zang, Chuanzhi

    The price elasticity is very important for the prediction of electricity demand. This paper mainly establishes the price elasticity coefficient for electricity in single period and inter-temporal. Then, a charging strategy is established based on these coefficients. To evaluate the strategy proposed, simulations of the two elastic coefficients are carried out based on the history data of a certain region.

  14. Elastin: a representative ideal protein elastomer.

    PubMed Central

    Urry, D W; Hugel, T; Seitz, M; Gaub, H E; Sheiba, L; Dea, J; Xu, J; Parker, T

    2002-01-01

    During the last half century, identification of an ideal (predominantly entropic) protein elastomer was generally thought to require that the ideal protein elastomer be a random chain network. Here, we report two new sets of data and review previous data. The first set of new data utilizes atomic force microscopy to report single-chain force-extension curves for (GVGVP)(251) and (GVGIP)(260), and provides evidence for single-chain ideal elasticity. The second class of new data provides a direct contrast between low-frequency sound absorption (0.1-10 kHz) exhibited by random-chain network elastomers and by elastin protein-based polymers. Earlier composition, dielectric relaxation (1-1000 MHz), thermoelasticity, molecular mechanics and dynamics calculations and thermodynamic and statistical mechanical analyses are presented, that combine with the new data to contrast with random-chain network rubbers and to detail the presence of regular non-random structural elements of the elastin-based systems that lose entropic elastomeric force upon thermal denaturation. The data and analyses affirm an earlier contrary argument that components of elastin, the elastic protein of the mammalian elastic fibre, and purified elastin fibre itself contain dynamic, non-random, regularly repeating structures that exhibit dominantly entropic elasticity by means of a damping of internal chain dynamics on extension. PMID:11911774

  15. Anharmonic Normal Mode Analysis of Elastic Network Model Improves the Modeling of Atomic Fluctuations in Protein Crystal Structures

    PubMed Central

    Zheng, Wenjun

    2010-01-01

    Abstract Protein conformational dynamics, despite its significant anharmonicity, has been widely explored by normal mode analysis (NMA) based on atomic or coarse-grained potential functions. To account for the anharmonic aspects of protein dynamics, this study proposes, and has performed, an anharmonic NMA (ANMA) based on the Cα-only elastic network models, which assume elastic interactions between pairs of residues whose Cα atoms or heavy atoms are within a cutoff distance. The key step of ANMA is to sample an anharmonic potential function along the directions of eigenvectors of the lowest normal modes to determine the mean-squared fluctuations along these directions. ANMA was evaluated based on the modeling of anisotropic displacement parameters (ADPs) from a list of 83 high-resolution protein crystal structures. Significant improvement was found in the modeling of ADPs by ANMA compared with standard NMA. Further improvement in the modeling of ADPs is attained if the interactions between a protein and its crystalline environment are taken into account. In addition, this study has determined the optimal cutoff distances for ADP modeling based on elastic network models, and these agree well with the peaks of the statistical distributions of distances between Cα atoms or heavy atoms derived from a large set of protein crystal structures. PMID:20550915

  16. Theoretical study of strength of elastic-plastic water-saturated interface under constrained shear

    NASA Astrophysics Data System (ADS)

    Dimaki, Andrey V.; Shilko, Evgeny V.; Psakhie, Sergey G.

    2016-11-01

    This paper presents a theoretical study of shear strength of an elastic-plastic water-filled interface between elastic permeable blocks under compression. The medium is described within the discrete element method. The relationship between the stress-strain state of the solid skeleton and pore pressure of a liquid is described in the framework of the Biot's model of poroelasticity. The simulation demonstrates that shear strength of an elastic-plastic interface depends non-linearly on the values of permeability and loading to a great extent. We have proposed an empirical relation that approximates the obtained results of the numerical simulation in assumption of the interplay of dilation of the material and mass transfer of the liquid.

  17. Determinants of fluidlike behavior and effective viscosity in cross-linked actin networks.

    PubMed

    Kim, Taeyoon; Gardel, Margaret L; Munro, Ed

    2014-02-04

    The actin cortex has a well-documented ability to rapidly remodel and flow while maintaining long-range connectivity, but how this is achieved remains poorly understood. Here, we use computer simulations to explore how stress relaxation in cross-linked actin networks subjected to extensional stress depends on the interplay between network architecture and turnover. We characterize a regime in which a network response is nonaffine and stress relaxation is governed by the continuous dissipation of elastic energy via cyclic formation, elongation, and turnover of tension-bearing elements. Within this regime, for a wide range of network parameters, we observe a constant deformation (creep) rate that is linearly proportional to the rate of filament turnover, leading to a constant effective viscosity that is inversely proportional to turnover rate. Significantly, we observe a biphasic dependence of the creep rate on applied stress: below a critical stress threshold, the creep rate increases linearly with applied stress; above that threshold, the creep rate becomes independent of applied stress. We show that this biphasic stress dependence can be understood in terms of the nonlinear force-extension behavior of individual force-transmitting network elements. These results have important implications for understanding the origins and control of viscous flows both in the cortex of living cells and in other polymer networks. Copyright © 2014 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  18. Designing heavy metal oxide glasses with threshold properties from network rigidity

    NASA Astrophysics Data System (ADS)

    Chakraborty, Shibalik; Boolchand, P.; Malki, M.; Micoulaut, M.

    2014-01-01

    Here, we show that a new class of glasses composed of heavy metal oxides involving transition metals (V2O5-TeO2) can surprisingly be designed from very basic tools using topology and rigidity of their underlying molecular networks. When investigated as a function of composition, such glasses display abrupt changes in network packing and enthalpy of relaxation at Tg, underscoring presence of flexible to rigid elastic phase transitions. We find that these elastic phases are fully consistent with polaronic nature of electronic conductivity at high V2O5 content. Such observations have new implications for designing electronic glasses which differ from the traditional amorphous electrolytes having only mobile ions as charge carriers.

  19. Designing heavy metal oxide glasses with threshold properties from network rigidity.

    PubMed

    Chakraborty, Shibalik; Boolchand, P; Malki, M; Micoulaut, M

    2014-01-07

    Here, we show that a new class of glasses composed of heavy metal oxides involving transition metals (V2O5-TeO2) can surprisingly be designed from very basic tools using topology and rigidity of their underlying molecular networks. When investigated as a function of composition, such glasses display abrupt changes in network packing and enthalpy of relaxation at Tg, underscoring presence of flexible to rigid elastic phase transitions. We find that these elastic phases are fully consistent with polaronic nature of electronic conductivity at high V2O5 content. Such observations have new implications for designing electronic glasses which differ from the traditional amorphous electrolytes having only mobile ions as charge carriers.

  20. Anisotropy of fluctuation dynamics of proteins with an elastic network model.

    PubMed Central

    Atilgan, A R; Durell, S R; Jernigan, R L; Demirel, M C; Keskin, O; Bahar, I

    2001-01-01

    Fluctuations about the native conformation of proteins have proven to be suitably reproduced with a simple elastic network model, which has shown excellent agreement with a number of different properties for a wide variety of proteins. This scalar model simply investigates the magnitudes of motion of individual residues in the structure. To use the elastic model approach further for developing the details of protein mechanisms, it becomes essential to expand this model to include the added details of the directions of individual residue fluctuations. In this paper a new tool is presented for this purpose and applied to the retinol-binding protein, which indicates enhanced flexibility in the region of entry to the ligand binding site and for the portion of the protein binding to its carrier protein. PMID:11159421

  1. Wind Energy System Time-domain (WEST) analyzers using hybrid simulation techniques

    NASA Technical Reports Server (NTRS)

    Hoffman, J. A.

    1979-01-01

    Two stand-alone analyzers constructed for real time simulation of the complex dynamic characteristics of horizontal-axis wind energy systems are described. Mathematical models for an aeroelastic rotor, including nonlinear aerodynamic and elastic loads, are implemented with high speed digital and analog circuitry. Models for elastic supports, a power train, a control system, and a rotor gimbal system are also included. Limited correlation efforts show good comparisons between results produced by the analyzers and results produced by a large digital simulation. The digital simulation results correlate well with test data.

  2. Hydro-mechanical model for wetting/drying and fracture development in geomaterials

    DOE PAGES

    Asahina, D.; Houseworth, J. E.; Birkholzer, J. T.; ...

    2013-12-28

    This study presents a modeling approach for studying hydro-mechanical coupled processes, including fracture development, within geological formations. This is accomplished through the novel linking of two codes: TOUGH2, which is a widely used simulator of subsurface multiphase flow based on the finite volume method; and an implementation of the Rigid-Body-Spring Network (RBSN) method, which provides a discrete (lattice) representation of material elasticity and fracture development. The modeling approach is facilitated by a Voronoi-based discretization technique, capable of representing discrete fracture networks. The TOUGH–RBSN simulator is intended to predict fracture evolution, as well as mass transport through permeable media, under dynamicallymore » changing hydrologic and mechanical conditions. Numerical results are compared with those of two independent studies involving hydro-mechanical coupling: (1) numerical modeling of swelling stress development in bentonite; and (2) experimental study of desiccation cracking in a mining waste. The comparisons show good agreement with respect to moisture content, stress development with changes in pore pressure, and time to crack initiation. Finally, the observed relationship between material thickness and crack patterns (e.g., mean spacing of cracks) is captured by the proposed modeling approach.« less

  3. Approach to the unfolding and folding dynamics of add A-riboswitch upon adenine dissociation using a coarse-grained elastic network model

    NASA Astrophysics Data System (ADS)

    Li, Chunhua; Lv, Dashuai; Zhang, Lei; Yang, Feng; Wang, Cunxin; Su, Jiguo; Zhang, Yang

    2016-07-01

    Riboswitches are noncoding mRNA segments that can regulate the gene expression via altering their structures in response to specific metabolite binding. We proposed a coarse-grained Gaussian network model (GNM) to examine the unfolding and folding dynamics of adenosine deaminase (add) A-riboswitch upon the adenine dissociation, in which the RNA is modeled by a nucleotide chain with interaction networks formed by connecting adjoining atomic contacts. It was shown that the adenine binding is critical to the folding of the add A-riboswitch while the removal of the ligand can result in drastic increase of the thermodynamic fluctuations especially in the junction regions between helix domains. Under the assumption that the native contacts with the highest thermodynamic fluctuations break first, the iterative GNM simulations showed that the unfolding process of the adenine-free add A-riboswitch starts with the denature of the terminal helix stem, followed by the loops and junctions involving ligand binding pocket, and then the central helix domains. Despite the simplified coarse-grained modeling, the unfolding dynamics and pathways are shown in close agreement with the results from atomic-level MD simulations and the NMR and single-molecule force spectroscopy experiments. Overall, the study demonstrates a new avenue to investigate the binding and folding dynamics of add A-riboswitch molecule which can be readily extended for other RNA molecules.

  4. Technologies for Elastic Optical Networking Systems in Spatial, Temporal and Spectral Domains

    NASA Astrophysics Data System (ADS)

    Qin, Chuan

    As the demand for more data capacity keeps increasing, the need for the more efficient use of the data channel becomes more imperative. The fixed wavelength grid which has been in use for more than ten years in conventional wavelength division multiplexing (WDM) is a bottleneck that prevents the capacity from upgrading towards 400 Gb/s and above. A new elastic optical networking scheme where both transceivers and interconnects become flexible break the boundary of wavelength grids and allow a more efficient use of the limited optical bands for communication. This dissertation focuses on a few enabling technologies for elastic optical networking systems. Optical arbitrary waveform generation (OAWG) uses Fourier synthesis and generates user-defined broad-band scalable optical waveforms with high-fidelity through line-by-line full field control of a coherent optical frequency comb. OAWG finds its niche in elastic optical networking since it provides no grids, and scales to user-defined bandwidth. When elastic optical networking builds various connections to use an arbitrary number of subcarriers depending on the users' bandwidth needs, the flexibility also creates non-contiguous spectral fragmentation, much like a computer hard disk generating fragments. Spectral defragmentation aims to re-optimize and re-assign the optical spectrum to achieve more efficient use of the spectrum. One of the technologies is "hop tuning" defragmentation method with a fast auto-tracking local oscillator (LO). In the demonstrated defragmentation experiment, I used a field-programmable gate array (FPGA) to monitor the wavelength change in the signal laser and tune the front and rear current that controls the wavelength of the local oscillator laser. However, the control of the front and rear current needs a complete and accurate calibration of the LO laser and may not apply to a larger number of coherent communication links. A single-tone optical frequency shifter can shift the LO laser wavelength to track the signal wavelength, thus providing a technique for authentically automatic wavelength tracking. I also explored different materials and crystal orientations to reduce the radio-frequency (RF) power consumption required to shift the wavelengths. Based on the elastic optical networking in the temporal, spectral and spatial domains, an additional degree of freedom has been investigated recently to increase the data capacity. The exploration to use the spatial domain to carry more data is termed as spatial division multiplexing (SDM). One such SDM method is orbital angular momentum(OAM), which is a group of orthogonal light beams carrying orbital angular momentum exhibiting an azimuthal phase variation. The utilization of OAM states has the potential to significantly increase the spectral efficiency and channel capacity. The thesis also includes the demonstration to establish a connection by exploiting the elasticity steering in spatial, temporal and spectral domains. Beam steering based on optical phased array (OPA) is also a potential candidate of SDM to carry information when a different linear phase will distribute light to different spatial locations. The states are intrinsically orthogonal to one another. Using 4x4 3-D waveguides written by ultrafast laser inscription (ULI), we demonstrated 2-D optical phased array (OPA) beam steering that shows steering in both vertical and horizontal directions. Enabling technologies provide future pathways for elastic optical networking and will fundamentally impact optical communication systems in many ways.

  5. Highly Conductive Ionic-Liquid Gels Prepared with Orthogonal Double Networks of a Low-Molecular-Weight Gelator and Cross-Linked Polymer.

    PubMed

    Kataoka, Toshikazu; Ishioka, Yumi; Mizuhata, Minoru; Minami, Hideto; Maruyama, Tatsuo

    2015-10-21

    We prepared a heterogeneous double-network (DN) ionogel containing a low-molecular-weight gelator network and a polymer network that can exhibit high ionic conductivity and high mechanical strength. An imidazolium-based ionic liquid was first gelated by the molecular self-assembly of a low-molecular-weight gelator (benzenetricarboxamide derivative), and methyl methacrylate was polymerized with a cross-linker to form a cross-linked poly(methyl methacrylate) (PMMA) network within the ionogel. Microscopic observation and calorimetric measurement revealed that the fibrous network of the low-molecular-weight gelator was maintained in the DN ionogel. The PMMA network strengthened the ionogel of the low-molecular-weight gelator and allowed us to handle the ionogel using tweezers. The orthogonal DNs produced ionogels with a broad range of storage elastic moduli. DN ionogels with low PMMA concentrations exhibited high ionic conductivity that was comparable to that of a neat ionic liquid. The present study demonstrates that the ionic conductivities of the DN and single-network, low-molecular-weight gelator or polymer ionogels strongly depended on their storage elastic moduli.

  6. Numerical Homogenization of Jointed Rock Masses Using Wave Propagation Simulation

    NASA Astrophysics Data System (ADS)

    Gasmi, Hatem; Hamdi, Essaïeb; Bouden Romdhane, Nejla

    2014-07-01

    Homogenization in fractured rock analyses is essentially based on the calculation of equivalent elastic parameters. In this paper, a new numerical homogenization method that was programmed by means of a MATLAB code, called HLA-Dissim, is presented. The developed approach simulates a discontinuity network of real rock masses based on the International Society of Rock Mechanics (ISRM) scanline field mapping methodology. Then, it evaluates a series of classic joint parameters to characterize density (RQD, specific length of discontinuities). A pulse wave, characterized by its amplitude, central frequency, and duration, is propagated from a source point to a receiver point of the simulated jointed rock mass using a complex recursive method for evaluating the transmission and reflection coefficient for each simulated discontinuity. The seismic parameters, such as delay, velocity, and attenuation, are then calculated. Finally, the equivalent medium model parameters of the rock mass are computed numerically while taking into account the natural discontinuity distribution. This methodology was applied to 17 bench fronts from six aggregate quarries located in Tunisia, Spain, Austria, and Sweden. It allowed characterizing the rock mass discontinuity network, the resulting seismic performance, and the equivalent medium stiffness. The relationship between the equivalent Young's modulus and rock discontinuity parameters was also analyzed. For these different bench fronts, the proposed numerical approach was also compared to several empirical formulas, based on RQD and fracture density values, published in previous research studies, showing its usefulness and efficiency in estimating rapidly the Young's modulus of equivalent medium for wave propagation analysis.

  7. Fragility, network adaptation, rigidity- and stress- transitions in homogenized binary GexS100-x glasses

    NASA Astrophysics Data System (ADS)

    Chakraborty, Shibalik; Boolchand, Punit

    2014-03-01

    Binary GexS100-x glasses reveal elastic and chemical phase transitions driven by network topology. With increasing Ge content x, well defined rigidity (xc(1) =19.3%) and stress(xc(2) =24.85%) transitions and associated optical elasticity power-laws are observed in Raman scattering. Calorimetric measurements reveal a square-well like minimum with window walls that coincide with the two elastic phase transitions. Molar volumes show a trapezoidal-like minimum with edges that nearly coincide with the reversibility window. These results are signatures of the isostatically rigid nature of the elastic phase formed between the rigidity and stress transitions. Complex Cp measurements show melt fragility index, m(x) to also show a global minimum in the reversibility window, underscoring that melt dynamics encode the elastic behavior of the glass formed at Tg. The strong nature of melts formed in the IP has an important practical consequence; they lead to slow homogenization of non-stoichiometric batch compositions reacted at high temperatures. Homogenization of chalcogenides melts/glasses over a scale of a few microns is a pre-requisite to observe the intrinsic physical properties of these materials. Supported by NSF Grant DMR 0853957.

  8. On the Value of Climate Elasticity Indices to Assess the Impact of Climate Change on Streamflow Projection using an ensemble of bias corrected CMIP5 dataset

    NASA Astrophysics Data System (ADS)

    Demirel, Mehmet; Moradkhani, Hamid

    2015-04-01

    Changes in two climate elasticity indices, i.e. temperature and precipitation elasticity of streamflow, were investigated using an ensemble of bias corrected CMIP5 dataset as forcing to two hydrologic models. The Variable Infiltration Capacity (VIC) and the Sacramento Soil Moisture Accounting (SAC-SMA) hydrologic models, were calibrated at 1/16 degree resolution and the simulated streamflow was routed to the basin outlet of interest. We estimated precipitation and temperature elasticity of streamflow from: (1) observed streamflow; (2) simulated streamflow by VIC and SAC-SMA models using observed climate for the current climate (1963-2003); (3) simulated streamflow using simulated climate from 10 GCM - CMIP5 dataset for the future climate (2010-2099) including two concentration pathways (RCP4.5 and RCP8.5) and two downscaled climate products (BCSD and MACA). The streamflow sensitivity to long-term (e.g., 30-year) average annual changes in temperature and precipitation is estimated for three periods i.e. 2010-40, 2040-70 and 2070-99. We compared the results of the three cases to reflect on the value of precipitation and temperature indices to assess the climate change impacts on Columbia River streamflow. Moreover, these three cases for two models are used to assess the effects of different uncertainty sources (model forcing, model structure and different pathways) on the two climate elasticity indices.

  9. Biomechanically based simulation of brain deformations for intraoperative image correction: coupling of elastic and fluid models

    NASA Astrophysics Data System (ADS)

    Hagemann, Alexander; Rohr, Karl; Stiehl, H. Siegfried

    2000-06-01

    In order to improve the accuracy of image-guided neurosurgery, different biomechanical models have been developed to correct preoperative images w.r.t. intraoperative changes like brain shift or tumor resection. All existing biomechanical models simulate different anatomical structures by using either appropriate boundary conditions or by spatially varying material parameter values, while assuming the same physical model for all anatomical structures. In general, this leads to physically implausible results, especially in the case of adjacent elastic and fluid structures. Therefore, we propose a new approach which allows to couple different physical models. In our case, we simulate rigid, elastic, and fluid regions by using the appropriate physical description for each material, namely either the Navier equation or the Stokes equation. To solve the resulting differential equations, we derive a linear matrix system for each region by applying the finite element method (FEM). Thereafter, the linear matrix systems are linked together, ending up with one overall linear matrix system. Our approach has been tested using synthetic as well as tomographic images. It turns out from experiments, that the integrated treatment of rigid, elastic, and fluid regions significantly improves the prediction results in comparison to a pure linear elastic model.

  10. Documentation of a computer program to simulate aquifer-system compaction using the modular finite-difference ground-water flow model

    USGS Publications Warehouse

    Leake, S.A.; Prudic, David E.

    1988-01-01

    The process of permanent compaction is not routinely included in simulations of groundwater flow. To simulate storage changes from both elastic and inelastic compaction, a computer program was written for use with the U. S. Geological Survey modular finite-difference groundwater flow model. The new program is called the Interbed-Storage Package. In the Interbed-Storage Package, elastic compaction or expansion is assumed to be proportional to change in head. The constant of proportionality is the product of skeletal component of elastic specific storage and thickness of the sediments. Similarly, inelastic compaction is assumed to be proportional to decline in head. The constant of proportionality is the product of the skeletal component of inelastic specific storage and the thickness of the sediments. Storage changes are incorporated into the groundwater flow model by adding an additional term to the flow equation. Within a model time step, the package appropriately apportions storage changes between elastic and inelastic components on the basis of the relation of simulated head to the previous minimum head. Another package that allows for a time-varying specified-head boundary is also documented. This package was written to reduce the data requirements for test simulations of the Interbed-Storage Package. (USGS)

  11. Local Elastic Constants for Epoxy-Nanotube Composites from Molecular Dynamics Simulation

    NASA Technical Reports Server (NTRS)

    Frankland, S. J. V.; Gates, T. S.

    2007-01-01

    A method from molecular dynamics simulation is developed for determining local elastic constants of an epoxy/nanotube composite. The local values of C11, C33, K12, and K13 elastic constants are calculated for an epoxy/nanotube composite as a function of radial distance from the nanotube. While the results possess a significant amount of statistical uncertainty resulting from both the numerical analysis and the molecular fluctuations during the simulation, the following observations can be made. If the size of the region around the nanotube is increased from shells of 1 to 6 in thickness, then the scatter in the data reduces enough to observe trends. All the elastic constants determined are at a minimum 20 from the center of the nanotube. The C11, C33, and K12 follow similar trends as a function of radial distance from the nanotube. The K13 decreases greater distances from the nanotube and becomes negative which may be a symptom of the statistical averaging.

  12. Elastic constants from microscopic strain fluctuations

    PubMed

    Sengupta; Nielaba; Rao; Binder

    2000-02-01

    Fluctuations of the instantaneous local Lagrangian strain epsilon(ij)(r,t), measured with respect to a static "reference" lattice, are used to obtain accurate estimates of the elastic constants of model solids from atomistic computer simulations. The measured strains are systematically coarse-grained by averaging them within subsystems (of size L(b)) of a system (of total size L) in the canonical ensemble. Using a simple finite size scaling theory we predict the behavior of the fluctuations as a function of L(b)/L and extract elastic constants of the system in the thermodynamic limit at nonzero temperature. Our method is simple to implement, efficient, and general enough to be able to handle a wide class of model systems, including those with singular potentials without any essential modification. We illustrate the technique by computing isothermal elastic constants of "hard" and "soft" disk triangular solids in two dimensions from Monte Carlo and molecular dynamics simulations. We compare our results with those from earlier simulations and theory.

  13. Nonlinear to Linear Elastic Code Coupling in 2-D Axisymmetric Media.

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

    Preston, Leiph

    Explosions within the earth nonlinearly deform the local media, but at typical seismological observation distances, the seismic waves can be considered linear. Although nonlinear algorithms can simulate explosions in the very near field well, these codes are computationally expensive and inaccurate at propagating these signals to great distances. A linearized wave propagation code, coupled to a nonlinear code, provides an efficient mechanism to both accurately simulate the explosion itself and to propagate these signals to distant receivers. To this end we have coupled Sandia's nonlinear simulation algorithm CTH to a linearized elastic wave propagation code for 2-D axisymmetric media (axiElasti)more » by passing information from the nonlinear to the linear code via time-varying boundary conditions. In this report, we first develop the 2-D axisymmetric elastic wave equations in cylindrical coordinates. Next we show how we design the time-varying boundary conditions passing information from CTH to axiElasti, and finally we demonstrate the coupling code via a simple study of the elastic radius.« less

  14. The impact of baking time and bread storage temperature on bread crumb properties.

    PubMed

    Bosmans, Geertrui M; Lagrain, Bert; Fierens, Ellen; Delcour, Jan A

    2013-12-15

    Two baking times (9 and 24 min) and storage temperatures (4 and 25 °C) were used to explore the impact of heat exposure during bread baking and subsequent storage on amylopectin retrogradation, water mobility, and bread crumb firming. Shorter baking resulted in less retrogradation, a less extended starch network and smaller changes in crumb firmness and elasticity. A lower storage temperature resulted in faster retrogradation, a more rigid starch network with more water inclusion and larger changes in crumb firmness and elasticity. Crumb to crust moisture migration was lower for breads baked shorter and stored at lower temperature, resulting in better plasticized biopolymer networks in crumb. Network stiffening, therefore, contributed less to crumb firmness. A negative relation was found between proton mobilities of water and biopolymers in the crumb gel network and crumb firmness. The slope of this linear function was indicative for the strength of the starch network. Copyright © 2013 Elsevier Ltd. All rights reserved.

  15. Quantifying Risks and Uncertainties Associated with Induced Seismicity due to CO2 Injection into Geologic Formations with Faults

    NASA Astrophysics Data System (ADS)

    Hou, Z.; Nguyen, B. N.; Bacon, D. H.; White, M. D.; Murray, C. J.

    2016-12-01

    A multiphase flow and reactive transport simulator named STOMP-CO2-R has been developed and coupled to the ABAQUS® finite element package for geomechanical analysis enabling comprehensive thermo-hydro-geochemical-mechanical (THMC) analyses. The coupled THMC simulator has been applied to analyze faulted CO2 reservoir responses (e.g., stress and strain distributions, pressure buildup, slip tendency factor, pressure margin to fracture) with various complexities in fault and reservoir structures and mineralogy. Depending on the geological and reaction network settings, long-term injection of CO2 can have a significant effect on the elastic stiffness and permeability of formation rocks. In parallel, an uncertainty quantification framework (UQ-CO2), which consists of entropy-based prior uncertainty representation, efficient sampling, geostatistical reservoir modeling, and effective response surface analysis, has been developed for quantifying risks and uncertainties associated with CO2 sequestration. It has been demonstrated for evaluating risks in CO2 leakage through natural pathways and wellbores, and for developing predictive reduced order models. Recently, a parallel STOMP-CO2-R has been developed and the updated STOMP/ABAQUS model has been proven to have a great scalability, which makes it possible to integrate the model with the UQ framework to effectively and efficiently explore multidimensional parameter space (e.g., permeability, elastic modulus, crack orientation, fault friction coefficient) for a more systematic analysis of induced seismicity risks.

  16. Split-Ring Springback Simulations with the Non-associated Flow Rule and Evolutionary Elastic-Plasticity Models

    NASA Astrophysics Data System (ADS)

    Lee, K. J.; Choi, Y.; Choi, H. J.; Lee, J. Y.; Lee, M. G.

    2018-03-01

    Finite element simulations and experiments for the split-ring test were conducted to investigate the effect of anisotropic constitutive models on the predictive capability of sheet springback. As an alternative to the commonly employed associated flow rule, a non-associated flow rule for Hill1948 yield function was implemented in the simulations. Moreover, the evolution of anisotropy with plastic deformation was efficiently modeled by identifying equivalent plastic strain-dependent anisotropic coefficients. Comparative study with different yield surfaces and elasticity models showed that the split-ring springback could be best predicted when the anisotropy in both the R value and yield stress, their evolution and variable apparent elastic modulus were taken into account in the simulations. Detailed analyses based on deformation paths superimposed on the anisotropic yield functions predicted by different constitutive models were provided to understand the complex springback response in the split-ring test.

  17. Split-Ring Springback Simulations with the Non-associated Flow Rule and Evolutionary Elastic-Plasticity Models

    NASA Astrophysics Data System (ADS)

    Lee, K. J.; Choi, Y.; Choi, H. J.; Lee, J. Y.; Lee, M. G.

    2018-06-01

    Finite element simulations and experiments for the split-ring test were conducted to investigate the effect of anisotropic constitutive models on the predictive capability of sheet springback. As an alternative to the commonly employed associated flow rule, a non-associated flow rule for Hill1948 yield function was implemented in the simulations. Moreover, the evolution of anisotropy with plastic deformation was efficiently modeled by identifying equivalent plastic strain-dependent anisotropic coefficients. Comparative study with different yield surfaces and elasticity models showed that the split-ring springback could be best predicted when the anisotropy in both the R value and yield stress, their evolution and variable apparent elastic modulus were taken into account in the simulations. Detailed analyses based on deformation paths superimposed on the anisotropic yield functions predicted by different constitutive models were provided to understand the complex springback response in the split-ring test.

  18. A virtual surgical training system that simulates cutting of soft tissue using a modified pre-computed elastic model.

    PubMed

    Toe, Kyaw Kyar; Huang, Weimin; Yang, Tao; Duan, Yuping; Zhou, Jiayin; Su, Yi; Teo, Soo-Kng; Kumar, Selvaraj Senthil; Lim, Calvin Chi-Wan; Chui, Chee Kong; Chang, Stephen

    2015-08-01

    This work presents a surgical training system that incorporates cutting operation of soft tissue simulated based on a modified pre-computed linear elastic model in the Simulation Open Framework Architecture (SOFA) environment. A precomputed linear elastic model used for the simulation of soft tissue deformation involves computing the compliance matrix a priori based on the topological information of the mesh. While this process may require a few minutes to several hours, based on the number of vertices in the mesh, it needs only to be computed once and allows real-time computation of the subsequent soft tissue deformation. However, as the compliance matrix is based on the initial topology of the mesh, it does not allow any topological changes during simulation, such as cutting or tearing of the mesh. This work proposes a way to modify the pre-computed data by correcting the topological connectivity in the compliance matrix, without re-computing the compliance matrix which is computationally expensive.

  19. Nonlocal elasticity tensors in dislocation and disclination cores

    DOE PAGES

    Taupin, V.; Gbemou, K.; Fressengeas, C.; ...

    2017-01-07

    We introduced nonlocal elastic constitutive laws for crystals containing defects such as dislocations and disclinations. Additionally, the pointwise elastic moduli tensors adequately reflect the elastic response of defect-free regions by relating stresses to strains and couple-stresses to curvatures, elastic cross-moduli tensors relating strains to couple-stresses and curvatures to stresses within convolution integrals are derived from a nonlocal analysis of strains and curvatures in the defects cores. Sufficient conditions are derived for positive-definiteness of the resulting free energy, and stability of elastic solutions is ensured. The elastic stress/couple stress fields associated with prescribed dislocation/disclination density distributions and solving the momentum andmore » moment of momentum balance equations in periodic media are determined by using a Fast Fourier Transform spectral method. Here, the convoluted cross-moduli bring the following results: (i) Nonlocal stresses and couple stresses oppose their local counterparts in the defects core regions, playing the role of restoring forces and possibly ensuring spatio-temporal stability of the simulated defects, (ii) The couple stress fields are strongly affected by nonlocality. Such effects favor the stability of the simulated grain boundaries and allow investigating their elastic interactions with extrinsic defects, (iii) Driving forces inducing grain growth or refinement derive from the self-stress and couple stress fields of grain boundaries in nanocrystalline configurations.« less

  20. Temperature and Pressure Dependences of the Elastic Properties of Tantalum Single Crystals Under <100> Tensile Loading: A Molecular Dynamics Study

    NASA Astrophysics Data System (ADS)

    Li, Wei-bing; Li, Kang; Fan, Kan-qi; Zhang, Da-xing; Wang, Wei-dong

    2018-04-01

    Atomistic simulations are capable of providing insights into physical mechanisms responsible for mechanical properties of the transition metal of Tantalum (Ta). By using molecular dynamics (MD) method, temperature and pressure dependences of the elastic properties of Ta single crystals are investigated through <100> tensile loading. First of all, a comparative study between two types of embedded-atom method (EAM) potentials is made in term of the elastic properties of Ta single crystals. The results show that Ravelo-EAM (Physical Review B, 2013, 88: 134101) potential behaves well at different hydrostatic pressures. Then, the MD simulation results based on the Ravelo-EAM potential show that Ta will experience a body-centered-cubic (BCC) to face-centered-cubic (FCC) phase transition before fracture under <100> tensile loading at 1 K temperature, and model size and strain rate have no obvious effects on tensile behaviors of Ta. Next, from the simulation results at the system temperature from 1 to 1500 K, it can be derived that the elastic modulus of E 100 linearly decrease with the increasing temperature, while the yielding stress decrease with conforming a quadratic polynomial formula. Finally, the pressure dependence of the elastic properties is performed from 0 to 140 GPa and the observations show that the elastic modulus increases with the increasing pressure overall.

  1. Temperature and Pressure Dependences of the Elastic Properties of Tantalum Single Crystals Under <100> Tensile Loading: A Molecular Dynamics Study.

    PubMed

    Li, Wei-Bing; Li, Kang; Fan, Kang-Qi; Zhang, Da-Xing; Wang, Wei-Dong

    2018-04-24

    Atomistic simulations are capable of providing insights into physical mechanisms responsible for mechanical properties of the transition metal of Tantalum (Ta). By using molecular dynamics (MD) method, temperature and pressure dependences of the elastic properties of Ta single crystals are investigated through <100> tensile loading. First of all, a comparative study between two types of embedded-atom method (EAM) potentials is made in term of the elastic properties of Ta single crystals. The results show that Ravelo-EAM (Physical Review B, 2013, 88: 134101) potential behaves well at different hydrostatic pressures. Then, the MD simulation results based on the Ravelo-EAM potential show that Ta will experience a body-centered-cubic (BCC) to face-centered-cubic (FCC) phase transition before fracture under <100> tensile loading at 1 K temperature, and model size and strain rate have no obvious effects on tensile behaviors of Ta. Next, from the simulation results at the system temperature from 1 to 1500 K, it can be derived that the elastic modulus of E 100 linearly decrease with the increasing temperature, while the yielding stress decrease with conforming a quadratic polynomial formula. Finally, the pressure dependence of the elastic properties is performed from 0 to 140 GPa and the observations show that the elastic modulus increases with the increasing pressure overall.

  2. Analysis of maxillary arch force/couple systems for a simulated high canine malocclusion: Part 2. Elastic ligation.

    PubMed

    Fok, Jonathan; Toogood, Roger W; Badawi, Hisham; Carey, Jason P; Major, Paul W

    2011-11-01

    To better understand the mechanics of bracket/archwire interaction through analysis of force and couple distribution along the maxillary arch using elastic ligation and to compare these results with passive ligation. An orthodontic simulator was used to study a high canine malocclusion. Force and couple distributions produced by elastic ligation and round wire were measured. Forces and couples were referenced to the center of resistance of each tooth. Tests were repeated for 12 bracket sets with 12 wires per set. Data were compared with those derived from similar tests for passive ligation. Propagation of the force/couple systems around the arch using elastic ligation was extensive. Elastic ligation produced significantly more resistance to sliding, contributing to higher forces and couples at the center of resistance than were observed for passive ligation. The results of this study suggest some potential mechanical advantages of passive over elastic ligation. In particular, limited propagation around the arch in passive ligation reduces the occurrence of unwanted force/couple systems compared with elastic ligation. These advantages may not transfer to a clinical setting because of the conditions of the tests; additional testing would be required to determine whether these advantages can be generalized.

  3. Simulation-Based Joint Estimation of Body Deformation and Elasticity Parameters for Medical Image Analysis

    PubMed Central

    Foskey, Mark; Niethammer, Marc; Krajcevski, Pavel; Lin, Ming C.

    2014-01-01

    Estimation of tissue stiffness is an important means of noninvasive cancer detection. Existing elasticity reconstruction methods usually depend on a dense displacement field (inferred from ultrasound or MR images) and known external forces. Many imaging modalities, however, cannot provide details within an organ and therefore cannot provide such a displacement field. Furthermore, force exertion and measurement can be difficult for some internal organs, making boundary forces another missing parameter. We propose a general method for estimating elasticity and boundary forces automatically using an iterative optimization framework, given the desired (target) output surface. During the optimization, the input model is deformed by the simulator, and an objective function based on the distance between the deformed surface and the target surface is minimized numerically. The optimization framework does not depend on a particular simulation method and is therefore suitable for different physical models. We show a positive correlation between clinical prostate cancer stage (a clinical measure of severity) and the recovered elasticity of the organ. Since the surface correspondence is established, our method also provides a non-rigid image registration, where the quality of the deformation fields is guaranteed, as they are computed using a physics-based simulation. PMID:22893381

  4. Modeling universal dynamics of cell spreading on elastic substrates.

    PubMed

    Fan, Houfu; Li, Shaofan

    2015-11-01

    A three-dimensional (3D) multiscale moving contact line model is combined with a soft matter cell model to study the universal dynamics of cell spreading over elastic substrates. We have studied both the early stage and the late stage cell spreading by taking into account the actin tension effect. In this work, the cell is modeled as an active nematic droplet, and the substrate is modeled as a St. Venant Kirchhoff elastic medium. A complete 3D simulation of cell spreading has been carried out. The simulation results show that the spreading area versus spreading time at different stages obeys specific power laws, which is in good agreement with experimental data and theoretical prediction reported in the literature. Moreover, the simulation results show that the substrate elasticity may affect force dipole distribution inside the cell. The advantage of this approach is that it combines the hydrodynamics of actin retrograde flow with moving contact line model so that it can naturally include actin tension effect resulting from actin polymerization and actomyosin contraction, and thus it might be capable of simulating complex cellular scale phenomenon, such as cell spreading or even crawling.

  5. Turbofan Volume Dynamics Model for Investigations of Aero-Propulso-Servo-Elastic Effects in a Supersonic Commercial Transport

    NASA Technical Reports Server (NTRS)

    Connolly, Joseph W.; Kopasakis, George; Lemon, Kimberly A.

    2010-01-01

    A turbofan simulation has been developed for use in aero-propulso-servo-elastic coupling studies, on supersonic vehicles. A one-dimensional lumped volume approach is used whereby each component (fan, high-pressure compressor, combustor, etc.) is represented as a single volume using characteristic performance maps and conservation equations for continuity, momentum and energy. The simulation is developed in the MATLAB/SIMULINK (The MathWorks, Inc.) environment in order to facilitate controls development, and ease of integration with a future aero-servo-elastic vehicle model being developed at NASA Langley. The complete simulation demonstrated steady state results that closely match a proposed engine suitable for a supersonic business jet at the cruise condition. Preliminary investigation of the transient simulation revealed expected trends for fuel flow disturbances as well as upstream pressure disturbances. A framework for system identification enables development of linear models for controller design. Utilizing this framework, a transfer function modeling an upstream pressure disturbance s impacts on the engine speed is developed as an illustrative case of the system identification. This work will eventually enable an overall vehicle aero-propulso-servo-elastic model

  6. The elastic properties of woven polymeric fabric

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

    Warren, W.E.

    1989-01-01

    The in-plane linear elastic constants of woven fabric are determined in terms of the specific fabric microstructure. The fabric is assumed to be a spatially periodic interlaced network of orthogonal yarns and the individual yarns are modeled as extensible elastica. These results indicate that a significant coupling of bending and stretching effects occurs during deformation. Results of this theoretical analysis compare favorable with measured in-plane elastic constants for Vincel yarn fabrics. 17 refs., 2 figs., 1 tab.

  7. Hybrid continuum-coarse-grained modeling of erythrocytes

    NASA Astrophysics Data System (ADS)

    Lyu, Jinming; Chen, Paul G.; Boedec, Gwenn; Leonetti, Marc; Jaeger, Marc

    2018-06-01

    The red blood cell (RBC) membrane is a composite structure, consisting of a phospholipid bilayer and an underlying membrane-associated cytoskeleton. Both continuum and particle-based coarse-grained RBC models make use of a set of vertices connected by edges to represent the RBC membrane, which can be seen as a triangular surface mesh for the former and a spring network for the latter. Here, we present a modeling approach combining an existing continuum vesicle model with a coarse-grained model for the cytoskeleton. Compared to other two-component approaches, our method relies on only one mesh, representing the cytoskeleton, whose velocity in the tangential direction of the membrane may be different from that of the lipid bilayer. The finitely extensible nonlinear elastic (FENE) spring force law in combination with a repulsive force defined as a power function (POW), called FENE-POW, is used to describe the elastic properties of the RBC membrane. The mechanical interaction between the lipid bilayer and the cytoskeleton is explicitly computed and incorporated into the vesicle model. Our model includes the fundamental mechanical properties of the RBC membrane, namely fluidity and bending rigidity of the lipid bilayer, and shear elasticity of the cytoskeleton while maintaining surface-area and volume conservation constraint. We present three simulation examples to demonstrate the effectiveness of this hybrid continuum-coarse-grained model for the study of RBCs in fluid flows.

  8. Discontinuous Galerkin method for coupled problems of compressible flow and elastic structures

    NASA Astrophysics Data System (ADS)

    Kosík, A.; Feistauer, M.; Hadrava, M.; Horáček, J.

    2013-10-01

    This paper is concerned with the numerical simulation of the interaction of 2D compressible viscous flow and an elastic structure. We consider the model of dynamical linear elasticity. Each individual problem is discretized in space by the discontinuous Galerkin method (DGM). For the time discretization we can use either the BDF (backward difference formula) method or also the DGM. The time dependence of the domain occupied by the fluid is given by the deformation of the elastic structure adjacent to the flow domain. It is treated with the aid of the Arbitrary Lagrangian-Eulerian (ALE) method. The fluid-structure interaction, given by transient conditions, is realized by an iterative process. The developed method is applied to the simulation of the biomechanical problem containing the onset of the voice production.

  9. The role of topology in microstructure-property relations: a 2D DEM based study

    NASA Astrophysics Data System (ADS)

    Saleme Ruiz, Katerine; Emelianenko, Maria

    2018-01-01

    We compare Rényi entropy-based mesoscale approaches for characterizing 2D polycrystalline network topology and geometry, based on the grain number of sides and grain areas, respectively. We study the effect of microstructure disorder on mechanical properties such as elastic and damage response by performing simulations of quasi-static uniaxial compression loading tests on an idealized material using grain-level micro-mechanical discrete element model. While not comprehensive enough to make general conclusions, this study allows us to make observations about the sensitivity of mechanical parameters such as Young's modulus, proportional limit, first yield stress, toughness and amount of microstructure damage to different entropy measures.

  10. Fiber optic voice/data network

    NASA Technical Reports Server (NTRS)

    Bergman, Larry A. (Inventor)

    1989-01-01

    An asynchronous, high-speed, fiber optic local area network originally developed for tactical environments with additional benefits for other environments such as spacecraft, and the like. The network supports ordinary data packet traffic simultaneously with synchronous T1 voice traffic over a common token ring channel; however, the techniques and apparatus of this invention can be applied to any deterministic class of packet data networks, including multitier backbones, that must transport stream data (e.g., video, SAR, sensors) as well as data. A voice interface module parses, buffers, and resynchronizes the voice data to the packet network employing elastic buffers on both the sending and receiving ends. Voice call setup and switching functions are performed external to the network with ordinary PABX equipment. Clock information is passed across network boundaries in a token passing ring by preceeding the token with an idle period of non-transmission which allows the token to be used to re-establish a clock synchronized to the data. Provision is made to monitor and compensate the elastic receiving buffers so as to prevent them from overflowing or going empty.

  11. Coupled Multi-physics analysis of Caprock Integrity and Fault Reactivation during CO2 Sequestration*

    NASA Astrophysics Data System (ADS)

    Newell, P.; Martinez, M. J.; Bishop, J.

    2012-12-01

    Structural/stratigraphic trapping beneath a low-permeable caprock layer is the primary trapping mechanism for long-term subsurface sequestration of CO2. Pre-existing fracture networks, injection induced fractures, and faults are of concern for possible CO2 leakage both during and after injection. In this work we model the effects of both caprock jointing and a fault on the caprock sealing integrity during various injection scenarios. The modeling effort uses a three-dimensional finite-element based coupled multiphase flow and geomechanics simulator. The joints within the caprock are idealized as equally spaced and parallel. Both the mechanical and flow behavior of the joint network are treated within an effective continuum formulation. The mechanical behavior of the joint network is linear elastic in shear and nonlinear elastic in the normal direction. The flow behavior of the joint network is treated using the classical cubic-law relating flow rate and aperture. The flow behavior is then upscaled to obtain an effective permeability. The fault is modeled as a finite-thickness layer with multiple joint sets. The joint sets within the fault region are modeled following the same mechanical and flow formulation as the joints within the caprock. Various injection schedules as well as fault and caprock jointing configurations within a proto-typical sequestration site have been investigated. The resulting leakage rates through the caprock and fault are compared to those assuming intact material. The predicted leakage rates are a strong nonlinear function of the injection rate. *This material is based upon work supported as part of the Center for Frontiers of Subsurface Energy Security, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0001114. Sandia is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energys National Nuclear Security Administration under Contract DE-AC04-94AL85000.

  12. Surface elastic properties in silicon nanoparticles

    NASA Astrophysics Data System (ADS)

    Melis, Claudio; Giordano, Stefano; Colombo, Luciano

    2017-09-01

    The elastic behavior of the external surface of a solid body plays a key role in nanomechanical phenomena. While bulk elasticity enjoys the benefits of a robust theoretical understanding, many surface elasticity features remain unexplored: some of them are here addressed by blending together continuum elasticity and atomistic simulations. A suitable readdressing of the surface elasticity theory allows to write the balance equations in arbitrary curvilinear coordinates and to investigate the dependence of the surface elastic parameters on the mean and Gaussian curvatures of the surface. In particular, we predict the radial strain induced by surface effects in spherical and cylindrical silicon nanoparticles and provide evidence that the surface parameters are nearly independent of curvatures and, therefore, of the surface conformation.

  13. Nanomechanics of layer-by-layer polyelectrolyte complexes: a manifestation of ionic cross-links and fixed charges.

    PubMed

    Han, Biao; Chery, Daphney R; Yin, Jie; Lu, X Lucas; Lee, Daeyeon; Han, Lin

    2016-01-28

    This study investigates the roles of two distinct features of ionically cross-linked polyelectrolyte networks - ionic cross-links and fixed charges - in determining their nanomechanical properties. The layer-by-layer assembled poly(allylamine hydrochloride)/poly(acrylic acid) (PAH/PAA) network is used as the model material. The densities of ionic cross-links and fixed charges are modulated through solution pH and ionic strength (IS), and the swelling ratio, elastic and viscoelastic properties are quantified via an array of atomic force microscopy (AFM)-based nanomechanical tools. The roles of ionic cross-links are underscored by the distinctive elastic and viscoelastic nanomechanical characters observed here. First, as ionic cross-links are highly sensitive to solution conditions, the instantaneous modulus, E0, exhibits orders-of-magnitude changes upon pH- and IS-governed swelling, distinctive from the rubber elasticity prediction based on permanent covalent cross-links. Second, ionic cross-links can break and self-re-form, and this mechanism dominates force relaxation of PAH/PAA under a constant indentation depth. In most states, the degree of relaxation is >90%, independent of ionic cross-link density. The importance of fixed charges is highlighted by the unexpectedly more elastic nature of the network despite low ionic cross-link density at pH 2.0, IS 0.01 M. Here, the complex is a net charged, loosely cross-linked, where the degree of relaxation is attenuated to ≈50% due to increased elastic contribution arising from fixed charge-induced Donnan osmotic pressure. In addition, this study develops a new method for quantifying the thickness of highly swollen polymer hydrogel films. It also underscores important technical considerations when performing nanomechanical tests on highly rate-dependent polymer hydrogel networks. These results provide new insights into the nanomechanical characters of ionic polyelectrolyte complexes, and lay the ground for further investigation of their unique time-dependent properties.

  14. Force Exertion and Transmission in Cross-Linked Actin Networks

    NASA Astrophysics Data System (ADS)

    Stam, Samantha

    Cells are responsive to external cues in their environment telling them to proliferate or migrate within their surrounding tissue. Sensing of cues that are mechanical in nature, such stiffness of a tissue or forces transmitted from other cells, is believed to involve the cytoskeleton of a cell. The cytoskeleton is a complex network of proteins consisting of polymers that provide structural support, motor proteins that remodel these structures, and many others. We do not yet have a complete understanding of how cytoskeletal components respond to either internal or external mechanical force and stiffness. Such an understanding should involve mechanisms by which constituent molecules, such as motor proteins, are responsive to mechanics. Additionally, physical models of how forces are transmitted through biopolymer networks are necessary. My research has focused on networks formed by the cytoskeletal filament actin and the molecular motor protein myosin II. Actin filaments form networks and bundles that form a structural framework of the cell, and myosin II slides actin filaments. In this thesis, we show that stiffness of an elastic load that opposes myosin-generated actin sliding has a very sharp effect on the myosin force output in simulations. Secondly, we show that the stiffness and connectivity of cytoskeletal filaments regulates the contractility and anisotropy of network deformations that transmit force on material length scales. Together, these results have implications for predicting and interpreting the deformations and forces in biopolymeric active materials.

  15. The Effect of Sedimentary Basins on Through-Passing Short-Period Surface Waves

    NASA Astrophysics Data System (ADS)

    Feng, L.; Ritzwoller, M. H.

    2017-12-01

    Surface waves propagating through sedimentary basins undergo elastic wave field complications that include multiple scattering, amplification, the formation of secondary wave fronts, and subsequent wave front healing. Unless these effects are accounted for accurately, they may introduce systematic bias to estimates of source characteristics, the inference of the anelastic structure of the Earth, and ground motion predictions for hazard assessment. Most studies of the effects of basins on surface waves have centered on waves inside the basins. In contrast, we investigate wave field effects downstream from sedimentary basins, with particular emphasis on continental basins and propagation paths, elastic structural heterogeneity, and Rayleigh waves at 10 s period. Based on wave field simulations through a recent 3D crustal and upper mantle model of East Asia, we demonstrate significant Rayleigh wave amplification downstream from sedimentary basins in eastern China such that Ms measurements obtained on the simulated wave field vary by more than a magnitude unit. We show that surface wave amplification caused by basins results predominantly from elastic focusing and that amplification effects produced through 3D basin models are reproduced using 2D membrane wave simulations through an appropriately defined phase velocity map. The principal characteristics of elastic focusing in both 2D and 3D simulations include (1) retardation of the wave front inside the basins; (2) deflection of the wave propagation direction; (3) formation of a high amplitude lineation directly downstream from the basin bracketed by two low amplitude zones; and (4) formation of a secondary wave front. Finally, by comparing the impact of elastic focusing with anelastic attenuation, we argue that on-continent sedimentary basins are expected to affect surface wave amplitudes more strongly through elastic focusing than through the anelastic attenuation.

  16. Simulation model of a twin-tail, high performance airplane

    NASA Technical Reports Server (NTRS)

    Buttrill, Carey S.; Arbuckle, P. Douglas; Hoffler, Keith D.

    1992-01-01

    The mathematical model and associated computer program to simulate a twin-tailed high performance fighter airplane (McDonnell Douglas F/A-18) are described. The simulation program is written in the Advanced Continuous Simulation Language. The simulation math model includes the nonlinear six degree-of-freedom rigid-body equations, an engine model, sensors, and first order actuators with rate and position limiting. A simplified form of the F/A-18 digital control laws (version 8.3.3) are implemented. The simulated control law includes only inner loop augmentation in the up and away flight mode. The aerodynamic forces and moments are calculated from a wind-tunnel-derived database using table look-ups with linear interpolation. The aerodynamic database has an angle-of-attack range of -10 to +90 and a sideslip range of -20 to +20 degrees. The effects of elastic deformation are incorporated in a quasi-static-elastic manner. Elastic degrees of freedom are not actively simulated. In the engine model, the throttle-commanded steady-state thrust level and the dynamic response characteristics of the engine are based on airflow rate as determined from a table look-up. Afterburner dynamics are switched in at a threshold based on the engine airflow and commanded thrust.

  17. Simulation of quasi-static hydraulic fracture propagation in porous media with XFEM

    NASA Astrophysics Data System (ADS)

    Juan-Lien Ramirez, Alina; Neuweiler, Insa; Löhnert, Stefan

    2015-04-01

    Hydraulic fracturing is the injection of a fracking fluid at high pressures into the underground. Its goal is to create and expand fracture networks to increase the rock permeability. It is a technique used, for example, for oil and gas recovery and for geothermal energy extraction, since higher rock permeability improves production. Many physical processes take place when it comes to fracking; rock deformation, fluid flow within the fractures, as well as into and through the porous rock. All these processes are strongly coupled, what makes its numerical simulation rather challenging. We present a 2D numerical model that simulates the hydraulic propagation of an embedded fracture quasi-statically in a poroelastic, fully saturated material. Fluid flow within the porous rock is described by Darcy's law and the flow within the fracture is approximated by a parallel plate model. Additionally, the effect of leak-off is taken into consideration. The solid component of the porous medium is assumed to be linear elastic and the propagation criteria are given by the energy release rate and the stress intensity factors [1]. The used numerical method for the spatial discretization is the eXtended Finite Element Method (XFEM) [2]. It is based on the standard Finite Element Method, but introduces additional degrees of freedom and enrichment functions to describe discontinuities locally in a system. Through them the geometry of the discontinuity (e.g. a fracture) becomes independent of the mesh allowing it to move freely through the domain without a mesh-adapting step. With this numerical model we are able to simulate hydraulic fracture propagation with different initial fracture geometries and material parameters. Results from these simulations will also be presented. References [1] D. Gross and T. Seelig. Fracture Mechanics with an Introduction to Micromechanics. Springer, 2nd edition, (2011) [2] T. Belytschko and T. Black. Elastic crack growth in finite elements with minimal remeshing. Int. J. Numer. Meth. Engng. 45, 601-620, (1999)

  18. An Integrated Tensorial Approach for Quantifying Porous, Fractured Rocks

    NASA Astrophysics Data System (ADS)

    Healy, David; Rizzo, Roberto; Harland, Sophie; Farrell, Natalie; Browning, John; Meredith, Phil; Mitchell, Tom; Bubeck, Alodie; Walker, Richard

    2017-04-01

    The patterns of fractures in deformed rocks are rarely uniform or random. Fracture orientations, sizes, shapes and spatial distributions often exhibit some kind of order. In detail, there may be relationships among the different fracture attributes e.g. small fractures dominated by one orientation, and larger fractures by another. These relationships are important because the mechanical (e.g. strength, anisotropy) and transport (e.g. fluids, heat) properties of rock depend on these fracture patterns and fracture attributes. Based on previously published work (Oda, Cowin, Sayers & Kachanov) this presentation describes an integrated tensorial approach to quantifying fracture networks and predicting the key properties of fractured rock: permeability and elasticity (and in turn, seismic velocities). Each of these properties can be represented as tensors, and these entities capture the essential 'directionality', or anisotropy of the property. In structural geology, we are familiar with using tensors for stress and strain, where these concepts incorporate volume averaging of many forces (in the case of the stress tensor), or many displacements (for the strain tensor), to produce more tractable and more computationally efficient quantities. It is conceptually attractive to formulate both the structure (the fracture network) and the structure-dependent properties (permeability, elasticity) in a consistent way with tensors of 2nd and 4th rank, as appropriate. Examples are provided to highlight the interdependence of the property tensors with the geometry of the fracture network. The fabric tensor (or orientation tensor of Scheidegger, Woodcock) describes the orientation distribution of fractures in the network. The crack tensor combines the fabric tensor (orientation distribution) with information about the fracture density and fracture size distribution. Changes to the fracture network, manifested in the values of the fabric and crack tensors, translate into changes in predicted permeability and elasticity (seismic velocity). Conversely, this implies that measured changes in any of the in situ properties or responses in the subsurface (e.g. permeability, seismic velocity) could be used to predict, or at least constrain, the fracture network. Explicitly linking the fracture network geometry to the permeability and elasticity (seismic velocity) through a tensorial formulation provides an exciting and efficient alternative to existing approaches.

  19. Surface-induced polymerization of actin.

    PubMed Central

    Renault, A; Lenne, P F; Zakri, C; Aradian, A; Vénien-Bryan, C; Amblard, F

    1999-01-01

    Living cells contain a very large amount of membrane surface area, which potentially influences the direction, the kinetics, and the localization of biochemical reactions. This paper quantitatively evaluates the possibility that a lipid monolayer can adsorb actin from a nonpolymerizing solution, induce its polymerization, and form a 2D network of individual actin filaments, in conditions that forbid bulk polymerization. G- and F-actin solutions were studied beneath saturated Langmuir monolayers containing phosphatidylcholine (PC, neutral) and stearylamine (SA, a positively charged surfactant) at PC:SA = 3:1 molar ratio. Ellipsometry, tensiometry, shear elastic measurements, electron microscopy, and dark-field light microscopy were used to characterize the adsorption kinetics and the interfacial polymerization of actin. In all cases studied, actin follows a monoexponential reaction-limited adsorption with similar time constants (approximately 10(3) s). At a longer time scale the shear elasticity of the monomeric actin adsorbate increases only in the presence of lipids, to a 2D shear elastic modulus of mu approximately 30 mN/m, indicating the formation of a structure coupled to the monolayer. Electron microscopy shows the formation of a 2D network of actin filaments at the PC:SA surface, and several arguments strongly suggest that this network is indeed causing the observed elasticity. Adsorption of F-actin to PC:SA leads more quickly to a slightly more rigid interface with a modulus of mu approximately 50 mN/m. PMID:10049338

  20. Dynamic Response Analysis of Microflow Electrochemical Sensors with Two Types of Elastic Membrane

    PubMed Central

    Zhou, Qiuzhan; Wang, Chunhui; Chen, Yongzhi; Chen, Shuozhang; Lin, Jun

    2016-01-01

    The Molecular Electric Transducer (MET), widely applied for vibration measurement, has excellent sensitivity and dynamic response at low frequencies. The elastic membrane in the MET is a significant factor with an obvious effect on the performance of the MET in the low frequency domain and is the focus of this paper. In simulation experiments, the elastic membrane and the reaction cavity of the MET were analysed in a model based on the multiphysics finite element method. Meanwhile, the effects caused by the elastic membrane elements are verified in this paper. With the numerical simulation and practical experiments, a suitable elastic membrane can be designed for different cavity structures. Thus, the MET can exhibit the best dynamic response characteristics to measure the vibration signals. With the new method presented in this paper, it is possible to develop and optimize the characteristics of the MET effectively, and the dynamic characteristics of the MET can be improved in a thorough and systematic manner. PMID:27171086

  1. Exciton transport in the PE545 complex: insight from atomistic QM/MM-based quantum master equations and elastic network models

    NASA Astrophysics Data System (ADS)

    Pouyandeh, Sima; Iubini, Stefano; Jurinovich, Sandro; Omar, Yasser; Mennucci, Benedetta; Piazza, Francesco

    2017-12-01

    In this paper, we work out a parameterization of environmental noise within the Haken-Strobl-Reinenker (HSR) model for the PE545 light-harvesting complex, based on atomic-level quantum mechanics/molecular mechanics (QM/MM) simulations. We use this approach to investigate the role of various auto- and cross-correlations in the HSR noise tensor, confirming that site-energy autocorrelations (pure dephasing) terms dominate the noise-induced exciton mobility enhancement, followed by site energy-coupling cross-correlations for specific triplets of pigments. Interestingly, several cross-correlations of the latter kind, together with coupling-coupling cross-correlations, display clear low-frequency signatures in their spectral densities in the 30-70 cm-1 region. These slow components lie at the limits of validity of the HSR approach, which requires that environmental fluctuations be faster than typical exciton transfer time scales. We show that a simple coarse-grained elastic-network-model (ENM) analysis of the PE545 protein naturally spotlights collective normal modes in this frequency range that represent specific concerted motions of the subnetwork of cysteines covalenty linked to the pigments. This analysis strongly suggests that protein scaffolds in light-harvesting complexes are able to express specific collective, low-frequency normal modes providing a fold-rooted blueprint of exciton transport pathways. We speculate that ENM-based mixed quantum classical methods, such as Ehrenfest dynamics, might be promising tools to disentangle the fundamental designing principles of these dynamical processes in natural and artificial light-harvesting structures.

  2. The Renormalization Group and Its Applications to Generating Coarse-Grained Models of Large Biological Molecular Systems.

    PubMed

    Koehl, Patrice; Poitevin, Frédéric; Navaza, Rafael; Delarue, Marc

    2017-03-14

    Understanding the dynamics of biomolecules is the key to understanding their biological activities. Computational methods ranging from all-atom molecular dynamics simulations to coarse-grained normal-mode analyses based on simplified elastic networks provide a general framework to studying these dynamics. Despite recent successes in studying very large systems with up to a 100,000,000 atoms, those methods are currently limited to studying small- to medium-sized molecular systems due to computational limitations. One solution to circumvent these limitations is to reduce the size of the system under study. In this paper, we argue that coarse-graining, the standard approach to such size reduction, must define a hierarchy of models of decreasing sizes that are consistent with each other, i.e., that each model contains the information of the dynamics of its predecessor. We propose a new method, Decimate, for generating such a hierarchy within the context of elastic networks for normal-mode analysis. This method is based on the concept of the renormalization group developed in statistical physics. We highlight the details of its implementation, with a special focus on its scalability to large systems of up to millions of atoms. We illustrate its application on two large systems, the capsid of a virus and the ribosome translation complex. We show that highly decimated representations of those systems, containing down to 1% of their original number of atoms, still capture qualitatively and quantitatively their dynamics. Decimate is available as an OpenSource resource.

  3. Theory of liquid crystal elastomers and polymer networks : Connection between neoclassical theory and differential geometry.

    PubMed

    Nguyen, Thanh-Son; Selinger, Jonathan V

    2017-09-01

    In liquid crystal elastomers and polymer networks, the orientational order of liquid crystals is coupled with elastic distortions of crosslinked polymers. Previous theoretical research has described these materials through two different approaches: a neoclassical theory based on the liquid crystal director and the deformation gradient tensor, and a geometric elasticity theory based on the difference between the actual metric tensor and a reference metric. Here, we connect those two approaches using a formalism based on differential geometry. Through this connection, we determine how both the director and the geometry respond to a change of temperature.

  4. Experiment study and FEM simulation on erythrocytes under linear stretching of optical micromanipulation

    NASA Astrophysics Data System (ADS)

    Liu, Ying; Song, Huadong; Zhu, Panpan; Lu, Hao; Tang, Qi

    2017-08-01

    The elasticity of erythrocytes is an important criterion to evaluate the quality of blood. This paper presents a novel research on erythrocytes' elasticity with the application of optical tweezers and the finite element method (FEM) during blood storage. In this work, the erythrocytes with different in vitro times were linearly stretched by trapping force using optical tweezers and the time dependent elasticity of erythrocytes was investigated. The experimental results indicate that the membrane shear moduli of erythrocytes increased with the increasing in vitro time, namely the elasticity was decreasing. Simultaneously, an erythrocyte shell model with two parameters (membrane thickness h and membrane shear modulus H) was built to simulate the linear stretching states of erythrocytes by the FEM, and the simulations conform to the results obtained in the experiment. The evolution process was found that the erythrocytes membrane thicknesses were decreasing. The analysis assumes that the partial proteins and lipid bilayer of erythrocyte membrane were decomposed during the in vitro preservation of blood, which results in thin thickness, weak bending resistance, and losing elasticity of erythrocyte membrane. This study implies that the FEM can be employed to investigate the inward mechanical property changes of erythrocyte in different environments, which also can be a guideline for studying the erythrocyte mechanical state suffered from different diseases.

  5. The effect of aspect ratio on adhesion and stiffness for soft elastic fibres

    PubMed Central

    Aksak, Burak; Hui, Chung-Yuen; Sitti, Metin

    2011-01-01

    The effect of aspect ratio on the pull-off stress and stiffness of soft elastic fibres is studied using elasticity and numerical analysis. The adhesive interface between a soft fibre and a smooth rigid surface is modelled using the Dugdale–Barenblatt model. Numerical simulations show that, while pull-off stress increases with decreasing aspect ratio, fibres get stiffer. Also, for sufficiently low aspect ratio fibres, failure occurs via the growth of internal cracks and pull-off stress approaches the intrinsic adhesive strength. Experiments carried out with various aspect ratio polyurethane elastomer fibres are consistent with the numerical simulations. PMID:21227962

  6. Generalized networking engineering: optimal pricing and routing in multiservice networks

    NASA Astrophysics Data System (ADS)

    Mitra, Debasis; Wang, Qiong

    2002-07-01

    One of the functions of network engineering is to allocate resources optimally to forecasted demand. We generalize the mechanism by incorporating price-demand relationships into the problem formulation, and optimizing pricing and routing jointly to maximize total revenue. We consider a network, with fixed topology and link bandwidths, that offers multiple services, such as voice and data, each having characteristic price elasticity of demand, and quality of service and policy requirements on routing. Prices, which depend on service type and origin-destination, determine demands, that are routed, subject to their constraints, so as to maximize revenue. We study the basic properties of the optimal solution and prove that link shadow costs provide the basis for both optimal prices and optimal routing policies. We investigate the impact of input parameters, such as link capacities and price elasticities, on prices, demand growth, and routing policies. Asymptotic analyses, in which network bandwidth is scaled to grow, give results that are noteworthy for their qualitative insights. Several numerical examples illustrate the analyses.

  7. Mechanical and structural model of fractal networks of fat crystals at low deformations.

    PubMed

    Narine, S S; Marangoni, A G

    1999-12-01

    Fat-crystal networks demonstrate viscoelastic behavior at very small deformations. A structural model of these networks is described and supported by polarized light and atomic-force microscopy. A mechanical model is described which allows the shear elastic modulus (G') of the system to be correlated with forces acting within the network. The fractal arrangement of the network at certain length scales is taken into consideration. It is assumed that the forces acting are due to van der Waals forces. The final expression for G' is related to the volume fraction of solid fat (Phi) via the mass fractal dimension (D) of the network, which agrees with the experimental verification of the scaling behavior of fat-crystal networks [S. S. Narine and A. G. Marangoni, Phys. Rev. E 59, 1908 (1999)]. G' was also found to be inversely proportional to the diameter of the primary particles (sigma approximately equal to 6 microm) within the network (microstructural elements) as well as to the diameter of the microstructures (xi approximately equal to 100 microm) and inversely proportional to the cube of the intermicrostructural element distance (d(0)). This formulation of the elastic modulus agrees well with experimental observations.

  8. Solvated dissipative electro-elastic network model of hydrated proteins

    NASA Astrophysics Data System (ADS)

    Martin, Daniel

    2013-03-01

    Elastic network models coarse grain proteins into a network of residue beads connected by springs. We add dissipative dynamics to this mechanical system by applying overdamped Langevin equations of motion to normal-mode vibrations of the network. In addition, the network is made heterogeneous and softened at the protein surface by accounting for hydration of the ionized residues. Solvation changes the network Hessian in two ways. Diagonal solvation terms soften the spring constants and off-diagonal dipole-dipole terms correlate displacements of the ionized residues. The model is used to formulate the response functions of the electrostatic potential and electric field appearing in theories of redox reactions and spectroscopy. We also formulate the dielectric response of the protein and find that solvation of the surface ionized residues leads to a slow relaxation peak in the dielectric loss spectrum, about two orders of magnitude slower than the main peak of protein relaxation. Finally, the solvated network is used to formulate the allosteric response of the protein to ion binding. The global thermodynamics of ion binding is not strongly affected by the network solvation, but it dramatically enhances conformational changes in response to placing a charge at the a the active site.

  9. Solvated dissipative electro-elastic network model of hydrated proteins

    NASA Astrophysics Data System (ADS)

    Martin, Daniel R.; Matyushov, Dmitry V.

    2012-10-01

    Elastic network models coarse grain proteins into a network of residue beads connected by springs. We add dissipative dynamics to this mechanical system by applying overdamped Langevin equations of motion to normal-mode vibrations of the network. In addition, the network is made heterogeneous and softened at the protein surface by accounting for hydration of the ionized residues. Solvation changes the network Hessian in two ways. Diagonal solvation terms soften the spring constants and off-diagonal dipole-dipole terms correlate displacements of the ionized residues. The model is used to formulate the response functions of the electrostatic potential and electric field appearing in theories of redox reactions and spectroscopy. We also formulate the dielectric response of the protein and find that solvation of the surface ionized residues leads to a slow relaxation peak in the dielectric loss spectrum, about two orders of magnitude slower than the main peak of protein relaxation. Finally, the solvated network is used to formulate the allosteric response of the protein to ion binding. The global thermodynamics of ion binding is not strongly affected by the network solvation, but it dramatically enhances conformational changes in response to placing a charge at the active site of the protein.

  10. Microrheology of highly crosslinked microtubule networks is dominated by force-induced crosslinker unbinding

    PubMed Central

    Yang, Yali; Bai, Mo; Klug, William S.; Levine, Alex J.

    2012-01-01

    We determine the time- and force-dependent viscoelastic responses of reconstituted networks of microtubules that have been strongly crosslinked by biotin-streptavidin bonds. To measure the microscale viscoelasticity of such networks, we use a magnetic tweezers device to apply localized forces. At short time scales, the networks respond nonlinearly to applied force, with stiffening at small forces, followed by a reduction in the stiffening response at high forces, which we attribute to the force-induced unbinding of crosslinks. At long time scales, force-induced bond unbinding leads to local network rearrangement and significant bead creep. Interestingly, the network retains its elastic modulus even under conditions of significant plastic flow, suggesting that crosslinker breakage is balanced by the formation of new bonds. To better understand this effect, we developed a finite element model of such a stiff filament network with labile crosslinkers obeying force-dependent Bell model unbinding dynamics. The coexistence of dissipation, due to bond breakage, and the elastic recovery of the network is possible because each filament has many crosslinkers. Recovery can occur as long as a sufficient number of the original crosslinkers are preserved under the loading period. When these remaining original crosslinkers are broken, plastic flow results. PMID:23577042

  11. Coupled Finite Element ? Potts Model Simulations of Grain Growth in Copper Interconnects

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

    Radhakrishnan, Balasubramaniam; Gorti, Sarma B

    The paper addresses grain growth in copper interconnects in the presence of thermal expansion mismatch stresses. The evolution of grain structure and texture in copper in the simultaneous presence of two driving forces, curvature and elastic stored energy difference, is modeled by using a hybrid Potts model simulation approach. The elastic stored energy is calculated by using the commercial finite element code ABAQUS, where the effect of elastic anisotropy on the thermal mismatch stress and strain distribution within a polycrystalline grain structure is modeled through a user material (UMAT) interface. Parametric studies on the effect of trench width and themore » height of the overburden were carried out. The results show that the grain structure and texture evolution are significantly altered by the presence of elastic strain energy.« less

  12. Simulation of hydrocephalus condition in infant head

    NASA Astrophysics Data System (ADS)

    Wijayanti, Erna; Arif, Idam

    2014-03-01

    Hydrocephalus is a condition of an excessive of cerebrospinal fluid in brain. In this paper, we try to simulate the behavior of hydrocephalus conditions in infant head by using a hydro-elastic model which is combined with orthotropic elastic skull and with the addition of suture that divide the skull into two lobes. The model then gives predictions for the case of stenosis aqueduct by varying the cerebral aqueduct diameter, time constant and brain elastic modulus. The hydrocephalus condition which is shown by the significant value of ventricle displacement, as the result shows, is occurred when the aqueduct is as resistant as brain parenchyma for the flow of cerebrospinal fluid. The decrement of brain elastic modulus causes brain parenchyma displacement value approach ventricle displacement value. The smaller of time constant value causes the smaller value of ventricle displacement.

  13. Transient pressure analysis of a volume fracturing well in fractured tight oil reservoirs

    NASA Astrophysics Data System (ADS)

    Lu, Cheng; Wang, Jiahang; Zhang, Cong; Cheng, Minhua; Wang, Xiaodong; Dong, Wenxiu; Zhou, Yingfang

    2017-12-01

    This paper presents a semi-analytical model to simulate transient pressure curves for a vertical well with a reconstructed fracture network in fractured tight oil reservoirs. In the proposed model, the reservoir is a composite system and contains two regions. The inner region is described as a formation with a finite conductivity hydraulic fracture network and the flow in the fracture is assumed to be linear, while the outer region is modeled using the classical Warren-Root model where radial flow is applied. The transient pressure curves of a vertical well in the proposed reservoir model are calculated semi-analytically using the Laplace transform and Stehfest numerical inversion. As shown in the type curves, the flow is divided into several regimes: (a) linear flow in artificial main fractures; (b) coupled boundary flow; (c) early linear flow in a fractured formation; (d) mid radial flow in the semi-fractures of the formation; (e) mid radial flow or pseudo steady flow; (f) mid cross-flow; (g) closed boundary flow. Based on our newly proposed model, the effects of some sensitive parameters, such as elastic storativity ratio, cross-flow coefficient, fracture conductivity and skin factor, on the type curves were also analyzed extensively. The simulated type curves show that for a vertical fractured well in a tight reservoir, the elastic storativity ratios and crossflow coefficients affect the time and the degree of crossflow respectively. The pressure loss increases with an increase in the fracture conductivity. To a certain extent, the effect of the fracture conductivity is more obvious than that of the half length of the fracture on improving the production effect. With an increase in the wellbore storage coefficient, the fluid compressibility is so large that it might cover the early stage fracturing characteristics. Linear or bilinear flow may not be recognized, and the pressure and pressure derivative gradually shift to the right. With an increase in the skin effect, the pressure loss increases gradually.

  14. Evolution of elastic x-ray scattering in laser-shocked warm dense lithium.

    PubMed

    Kugland, N L; Gregori, G; Bandyopadhyay, S; Brenner, C M; Brown, C R D; Constantin, C; Glenzer, S H; Khattak, F Y; Kritcher, A L; Niemann, C; Otten, A; Pasley, J; Pelka, A; Roth, M; Spindloe, C; Riley, D

    2009-12-01

    We have studied the dynamics of warm dense Li with near-elastic x-ray scattering. Li foils were heated and compressed using shock waves driven by 4-ns-long laser pulses. Separate 1-ns-long laser pulses were used to generate a bright source of 2.96 keV Cl Ly- alpha photons for x-ray scattering, and the spectrum of scattered photons was recorded at a scattering angle of 120 degrees using a highly oriented pyrolytic graphite crystal operated in the von Hamos geometry. A variable delay between the heater and backlighter laser beams measured the scattering time evolution. Comparison with radiation-hydrodynamics simulations shows that the plasma is highly coupled during the first several nanoseconds, then relaxes to a moderate coupling state at later times. Near-elastic scattering amplitudes have been successfully simulated using the screened one-component plasma model. Our main finding is that the near-elastic scattering amplitudes are quite sensitive to the mean ionization state Z[over ] and by extension to the choice of ionization model in the radiation-hydrodynamics simulations used to predict plasma properties within the shocked Li.

  15. Flexible multibody simulation of automotive systems with non-modal model reduction techniques

    NASA Astrophysics Data System (ADS)

    Shiiba, Taichi; Fehr, Jörg; Eberhard, Peter

    2012-12-01

    The stiffness of the body structure of an automobile has a strong relationship with its noise, vibration, and harshness (NVH) characteristics. In this paper, the effect of the stiffness of the body structure upon ride quality is discussed with flexible multibody dynamics. In flexible multibody simulation, the local elastic deformation of the vehicle has been described traditionally with modal shape functions. Recently, linear model reduction techniques from system dynamics and mathematics came into the focus to find more sophisticated elastic shape functions. In this work, the NVH-relevant states of a racing kart are simulated, whereas the elastic shape functions are calculated with modern model reduction techniques like moment matching by projection on Krylov-subspaces, singular value decomposition-based reduction techniques, and combinations of those. The whole elastic multibody vehicle model consisting of tyres, steering, axle, etc. is considered, and an excitation with a vibration characteristics in a wide frequency range is evaluated in this paper. The accuracy and the calculation performance of those modern model reduction techniques is investigated including a comparison of the modal reduction approach.

  16. A fast mass spring model solver for high-resolution elastic objects

    NASA Astrophysics Data System (ADS)

    Zheng, Mianlun; Yuan, Zhiyong; Zhu, Weixu; Zhang, Guian

    2017-03-01

    Real-time simulation of elastic objects is of great importance for computer graphics and virtual reality applications. The fast mass spring model solver can achieve visually realistic simulation in an efficient way. Unfortunately, this method suffers from resolution limitations and lack of mechanical realism for a surface geometry model, which greatly restricts its application. To tackle these problems, in this paper we propose a fast mass spring model solver for high-resolution elastic objects. First, we project the complex surface geometry model into a set of uniform grid cells as cages through *cages mean value coordinate method to reflect its internal structure and mechanics properties. Then, we replace the original Cholesky decomposition method in the fast mass spring model solver with a conjugate gradient method, which can make the fast mass spring model solver more efficient for detailed surface geometry models. Finally, we propose a graphics processing unit accelerated parallel algorithm for the conjugate gradient method. Experimental results show that our method can realize efficient deformation simulation of 3D elastic objects with visual reality and physical fidelity, which has a great potential for applications in computer animation.

  17. Transient response of nonlinear polymer networks: A kinetic theory

    NASA Astrophysics Data System (ADS)

    Vernerey, Franck J.

    2018-06-01

    Dynamic networks are found in a majority of natural materials, but also in engineering materials, such as entangled polymers and physically cross-linked gels. Owing to their transient bond dynamics, these networks display a rich class of behaviors, from elasticity, rheology, self-healing, or growth. Although classical theories in rheology and mechanics have enabled us to characterize these materials, there is still a gap in our understanding on how individuals (i.e., the mechanics of each building blocks and its connection with others) affect the emerging response of the network. In this work, we introduce an alternative way to think about these networks from a statistical point of view. More specifically, a network is seen as a collection of individual polymer chains connected by weak bonds that can associate and dissociate over time. From the knowledge of these individual chains (elasticity, transient attachment, and detachment events), we construct a statistical description of the population and derive an evolution equation of their distribution based on applied deformation and their local interactions. We specifically concentrate on nonlinear elastic response that follows from the strain stiffening response of individual chains of finite size. Upon appropriate averaging operations and using a mean field approximation, we show that the distribution can be replaced by a so-called chain distribution tensor that is used to determine important macroscopic measures such as stress, energy storage and dissipation in the network. Prediction of the kinetic theory are then explored against known experimental measurement of polymer responses under uniaxial loading. It is found that even under the simplest assumptions of force-independent chain kinetics, the model is able to reproduce complex time-dependent behaviors of rubber and self-healing supramolecular polymers.

  18. Mean Green operators of deformable fiber networks embedded in a compliant matrix and property estimates

    NASA Astrophysics Data System (ADS)

    Franciosi, Patrick; Spagnuolo, Mario; Salman, Oguz Umut

    2018-04-01

    Composites comprising included phases in a continuous matrix constitute a huge class of meta-materials, whose effective properties, whether they be mechanical, physical or coupled, can be selectively optimized by using appropriate phase arrangements and architectures. An important subclass is represented by "network-reinforced matrices," say those materials in which one or more of the embedded phases are co-continuous with the matrix in one or more directions. In this article, we present a method to study effective properties of simple such structures from which more complex ones can be accessible. Effective properties are shown, in the framework of linear elasticity, estimable by using the global mean Green operator for the entire embedded fiber network which is by definition through sample spanning. This network operator is obtained from one of infinite planar alignments of infinite fibers, which the network can be seen as an interpenetrated set of, with the fiber interactions being fully accounted for in the alignments. The mean operator of such alignments is given in exact closed form for isotropic elastic-like or dielectric-like matrices. We first exemplify how these operators relevantly provide, from classic homogenization frameworks, effective properties in the case of 1D fiber bundles embedded in an isotropic elastic-like medium. It is also shown that using infinite patterns with fully interacting elements over their whole influence range at any element concentration suppresses the dilute approximation limit of these frameworks. We finally present a construction method for a global operator of fiber networks described as interpenetrated such bundles.

  19. Molecular Modeling of Aerospace Polymer Matrices Including Carbon Nanotube-Enhanced Epoxy

    NASA Astrophysics Data System (ADS)

    Radue, Matthew S.

    Carbon fiber (CF) composites are increasingly replacing metals used in major structural parts of aircraft, spacecraft, and automobiles. The current limitations of carbon fiber composites are addressed through computational material design by modeling the salient aerospace matrix materials. Molecular Dynamics (MD) models of epoxies with and without carbon nanotube (CNT) reinforcement and models of pure bismaleimides (BMIs) were developed to elucidate structure-property relationships for improved selection and tailoring of matrices. The influence of monomer functionality on the mechanical properties of epoxies is studied using the Reax Force Field (ReaxFF). From deformation simulations, the Young's modulus, yield point, and Poisson's ratio are calculated and analyzed. The results demonstrate an increase in stiffness and yield strength with increasing resin functionality. Comparison between the network structures of distinct epoxies is further advanced by the Monomeric Degree Index (MDI). Experimental validation demonstrates the MD results correctly predict the relationship in Young's moduli for all epoxies modeled. Therefore, the ReaxFF is confirmed to be a useful tool for studying the mechanical behavior of epoxies. While epoxies have been well-studied using MD, there has been no concerted effort to model cured BMI polymers due to the complexity of the network-forming reactions. A novel, adaptable crosslinking framework is developed for implementing 5 distinct cure reactions of Matrimid-5292 (a BMI resin) and investigating the network structure using MD simulations. The influence of different cure reactions and extent of curing are analyzed on the several thermo-mechanical properties such as mass density, glass transition temperature, coefficient of thermal expansion, elastic moduli, and thermal conductivity. The developed crosslinked models correctly predict experimentally observed trends for various properties. Finally, the epoxies modeled (di-, tri-, and tetra-functionalresins) are simulated with embedded CNT to understand how the affinity to nanoparticles affects the mechanical response. Multiscale modeling techniques are then employed to translate the molecular phenomena observed to predict the behavior of realistic composites. The effective stiffness of hybrid composites are predicted for CNT/epoxy composites with randomly oriented CNTs, for CF/CNT/epoxy systems with aligned CFs and randomly oriented CNTs, and for woven CF/CNT/epoxy fabric with randomly oriented CNTs. The results indicate that in the CNT/epoxy systems the epoxy type has a significant influence on the elastic properties. For the CF/CNT/epoxy hybrid composites, the axial modulus is highly influenced by CF concentration, while the transverse modulus is primarily affected by the CNT weight fraction.

  20. The integration of elastic wave properties and machine learning for the distribution of petrophysical properties in reservoir modeling

    NASA Astrophysics Data System (ADS)

    Ratnam, T. C.; Ghosh, D. P.; Negash, B. M.

    2018-05-01

    Conventional reservoir modeling employs variograms to predict the spatial distribution of petrophysical properties. This study aims to improve property distribution by incorporating elastic wave properties. In this study, elastic wave properties obtained from seismic inversion are used as input for an artificial neural network to predict neutron porosity in between well locations. The method employed in this study is supervised learning based on available well logs. This method converts every seismic trace into a pseudo-well log, hence reducing the uncertainty between well locations. By incorporating the seismic response, the reliance on geostatistical methods such as variograms for the distribution of petrophysical properties is reduced drastically. The results of the artificial neural network show good correlation with the neutron porosity log which gives confidence for spatial prediction in areas where well logs are not available.

  1. Carbon nanotubes and carbon onions for modification of styrene-acrylate copolymer based nanocomposites

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

    Merijs-Meri, Remo; Zicans, Janis; Ivanova, Tatjana

    2014-05-15

    Styrene acrylate polymer (SAC) nanocomposites with various carbon nanofillers (multiwalled carbon nanotubes MWCNTs and onion like carbon OLC) are manufactured by means of latex based routes. Concentration of the carbon nanofillers is changed in a broad interval starting from 0.01 up to 10 wt. %. Elastic, dielectric and electromagnetic properties of SAC nanocomposites are investigated. Elastic modulus, electrical conductivity and electromagnetic radiation absorption of the investigated SAC nanocomposites increase along with rising nanofiller content. The effect of the addition of anisometric MWCNTs on the elastic properties of the composite is higher than in the case of the addition of OLC.more » Higher electrical conductivity of the OLC containing nanocomposites is explained with the fact that reasonable agglomeration of the nanofiller can promote the development of electrically conductive network. Efficiency of the absorption of electromagnetic radiation depends on the development of conductive network within the SAC matrix.« less

  2. Compressed glassy carbon: An ultrastrong and elastic interpenetrating graphene network

    PubMed Central

    Hu, Meng; He, Julong; Zhao, Zhisheng; Strobel, Timothy A.; Hu, Wentao; Yu, Dongli; Sun, Hao; Liu, Lingyu; Li, Zihe; Ma, Mengdong; Kono, Yoshio; Shu, Jinfu; Mao, Ho-kwang; Fei, Yingwei; Shen, Guoyin; Wang, Yanbin; Juhl, Stephen J.; Huang, Jian Yu; Liu, Zhongyuan; Xu, Bo; Tian, Yongjun

    2017-01-01

    Carbon’s unique ability to have both sp2 and sp3 bonding states gives rise to a range of physical attributes, including excellent mechanical and electrical properties. We show that a series of lightweight, ultrastrong, hard, elastic, and conductive carbons are recovered after compressing sp2-hybridized glassy carbon at various temperatures. Compression induces the local buckling of graphene sheets through sp3 nodes to form interpenetrating graphene networks with long-range disorder and short-range order on the nanometer scale. The compressed glassy carbons have extraordinary specific compressive strengths—more than two times that of commonly used ceramics—and simultaneously exhibit robust elastic recovery in response to local deformations. This type of carbon is an optimal ultralight, ultrastrong material for a wide range of multifunctional applications, and the synthesis methodology demonstrates potential to access entirely new metastable materials with exceptional properties. PMID:28630918

  3. Evaluation of copper, aluminum, and nickel interatomic potentials on predicting the elastic properties

    NASA Astrophysics Data System (ADS)

    Rassoulinejad-Mousavi, Seyed Moein; Mao, Yijin; Zhang, Yuwen

    2016-06-01

    Choice of appropriate force field is one of the main concerns of any atomistic simulation that needs to be seriously considered in order to yield reliable results. Since investigations on the mechanical behavior of materials at micro/nanoscale have been becoming much more widespread, it is necessary to determine an adequate potential which accurately models the interaction of the atoms for desired applications. In this framework, reliability of multiple embedded atom method based interatomic potentials for predicting the elastic properties was investigated. Assessments were carried out for different copper, aluminum, and nickel interatomic potentials at room temperature which is considered as the most applicable case. Examined force fields for the three species were taken from online repositories of National Institute of Standards and Technology, as well as the Sandia National Laboratories, the LAMMPS database. Using molecular dynamic simulations, the three independent elastic constants, C11, C12, and C44, were found for Cu, Al, and Ni cubic single crystals. Voigt-Reuss-Hill approximation was then implemented to convert elastic constants of the single crystals into isotropic polycrystalline elastic moduli including bulk modulus, shear modulus, and Young's modulus as well as Poisson's ratio. Simulation results from massive molecular dynamic were compared with available experimental data in the literature to justify the robustness of each potential for each species. Eventually, accurate interatomic potentials have been recommended for finding each of the elastic properties of the pure species. Exactitude of the elastic properties was found to be sensitive to the choice of the force fields. Those potentials that were fitted for a specific compound may not necessarily work accurately for all the existing pure species. Tabulated results in this paper might be used as a benchmark to increase assurance of using the interatomic potential that was designated for a problem.

  4. Effects of unidirectional flow shear stresses on the formation, fractal microstructure and rigidity of incipient whole blood clots and fibrin gels.

    PubMed

    Badiei, N; Sowedan, A M; Curtis, D J; Brown, M R; Lawrence, M J; Campbell, A I; Sabra, A; Evans, P A; Weisel, J W; Chernysh, I N; Nagaswami, C; Williams, P R; Hawkins, K

    2015-01-01

    Incipient clot formation in whole blood and fibrin gels was studied by the rheometric techniques of controlled stress parallel superposition (CSPS) and small amplitude oscillatory shear (SAOS). The effects of unidirectional shear stress on incipient clot microstructure, formation kinetics and elasticity are reported in terms of the fractal dimension (df) of the fibrin network, the gel network formation time (TGP) and the shear elastic modulus, respectively. The results of this first haemorheological application of CSPS reveal the marked sensitivity of incipient clot microstructure to physiologically relevant levels of shear stress, these being an order of magnitude lower than have previously been studied by SAOS. CSPS tests revealed that exposure of forming clots to increasing levels of shear stress produces a corresponding elevation in df, consistent with the formation of tighter, more compact clot microstructures under unidirectional flow. A corresponding increase in shear elasticity was recorded. The scaling relationship established between shear elasticity and df for fibrin clots and whole blood confirms the fibrin network as the dominant microstructural component of the incipient clot in terms of its response to imposed stress. Supplementary studies of fibrin clot formation by rheometry and microscopy revealed the substantial additional network mass required to increase df and provide evidence to support the hypothesis that microstructural changes in blood clotted under unidirectional shear may be attributed to flow enhanced thrombin generation and activation. CSPS also identified a threshold value of unidirectional shear stress above which no incipient clot formation could be detected. CSPS was shown to be a valuable haemorheological tool for the study of the effects of physiological and pathological levels of shear on clot properties.

  5. Local interaction simulation approach to modelling nonclassical, nonlinear elastic behavior in solids.

    PubMed

    Scalerandi, Marco; Agostini, Valentina; Delsanto, Pier Paolo; Van Den Abeele, Koen; Johnson, Paul A

    2003-06-01

    Recent studies show that a broad category of materials share "nonclassical" nonlinear elastic behavior much different from "classical" (Landau-type) nonlinearity. Manifestations of "nonclassical" nonlinearity include stress-strain hysteresis and discrete memory in quasistatic experiments, and specific dependencies of the harmonic amplitudes with respect to the drive amplitude in dynamic wave experiments, which are remarkably different from those predicted by the classical theory. These materials have in common soft "bond" elements, where the elastic nonlinearity originates, contained in hard matter (e.g., a rock sample). The bond system normally comprises a small fraction of the total material volume, and can be localized (e.g., a crack in a solid) or distributed, as in a rock. In this paper a model is presented in which the soft elements are treated as hysteretic or reversible elastic units connected in a one-dimensional lattice to elastic elements (grains), which make up the hard matrix. Calculations are performed in the framework of the local interaction simulation approach (LISA). Experimental observations are well predicted by the model, which is now ready both for basic investigations about the physical origins of nonlinear elasticity and for applications to material damage diagnostics.

  6. Cyclic deformation-induced solute transport in tissue scaffolds with computer designed, interconnected, pore networks: experiments and simulations.

    PubMed

    Den Buijs, Jorn Op; Dragomir-Daescu, Dan; Ritman, Erik L

    2009-08-01

    Nutrient supply and waste removal in porous tissue engineering scaffolds decrease from the periphery to the center, leading to limited depth of ingrowth of new tissue into the scaffold. However, as many tissues experience cyclic physiological strains, this may provide a mechanism to enhance solute transport in vivo before vascularization of the scaffold. The hypothesis of this study was that pore cross-sectional geometry and interconnectivity are of major importance for the effectiveness of cyclic deformation-induced solute transport. Transparent elastic polyurethane scaffolds, with computer-programmed design of pore networks in the form of interconnected channels, were fabricated using a 3D printing and injection molding technique. The scaffold pores were loaded with a colored tracer for optical contrast, cyclically compressed with deformations of 10 and 15% of the original undeformed height at 1.0 Hz. Digital imaging was used to quantify the spatial distribution of the tracer concentration within the pores. Numerical simulations of a fluid-structure interaction model of deformation-induced solute transport were compared to the experimental data. The results of experiments and modeling agreed well and showed that pore interconnectivity heavily influences deformation-induced solute transport. Pore cross-sectional geometry appears to be of less relative importance in interconnected pore networks. Validated computer models of solute transport can be used to design optimal scaffold pore geometries that will enhance the convective transport of nutrients inside the scaffold and the removal of waste, thus improving the cell survivability deep inside the scaffold.

  7. A poroelastic model coupled to a fluid network with applications in lung modelling.

    PubMed

    Berger, Lorenz; Bordas, Rafel; Burrowes, Kelly; Grau, Vicente; Tavener, Simon; Kay, David

    2016-01-01

    We develop a lung ventilation model based on a continuum poroelastic representation of lung parenchyma that is strongly coupled to a pipe network representation of the airway tree. The continuous system of equations is discretized using a low-order stabilised finite element method. The framework is applied to a realistic lung anatomical model derived from computed tomography data and an artificially generated airway tree to model the conducting airway region. Numerical simulations produce physiologically realistic solutions and demonstrate the effect of airway constriction and reduced tissue elasticity on ventilation, tissue stress and alveolar pressure distribution. The key advantage of the model is the ability to provide insight into the mutual dependence between ventilation and deformation. This is essential when studying lung diseases, such as chronic obstructive pulmonary disease and pulmonary fibrosis. Thus the model can be used to form a better understanding of integrated lung mechanics in both the healthy and diseased states. Copyright © 2015 John Wiley & Sons, Ltd. Copyright © 2015 John Wiley & Sons, Ltd.

  8. Elastic properties of compressed emulsions

    NASA Astrophysics Data System (ADS)

    Jorjadze, Ivane; Brujic, Jasna

    2012-02-01

    Visualizing the packing of a dense emulsion in 3D as a function of the external pressure allows us to characterize the geometry and the local stress distribution inside this jammed system. We first test the scaling laws of the pressure and average coordination number over two orders of magnitude in density. We find deviations from theoretical exponents due to the non-affine motion of the particles. Second, we observe that the distribution of forces changes from a broad exponential at the jamming point to a narrower Gaussian-like distribution under high compression. Finally, we calculate the density of states from the measured force network in the approximation of a harmonic potential. Close to jamming, the number of low frequency modes is high, while the application of pressure shifts the distribution to higher frequencies, indicative of a rigid network. The confocal images reveal the structural features associated with the low frequency modes, as well as their localization within the packing. These data are then compared with published results from numerical simulations.

  9. Predicting Structure-Function Relations and Survival following Surgical and Bronchoscopic Lung Volume Reduction Treatment of Emphysema.

    PubMed

    Mondoñedo, Jarred R; Suki, Béla

    2017-02-01

    Lung volume reduction surgery (LVRS) and bronchoscopic lung volume reduction (bLVR) are palliative treatments aimed at reducing hyperinflation in advanced emphysema. Previous work has evaluated functional improvements and survival advantage for these techniques, although their effects on the micromechanical environment in the lung have yet to be determined. Here, we introduce a computational model to simulate a force-based destruction of elastic networks representing emphysema progression, which we use to track the response to lung volume reduction via LVRS and bLVR. We find that (1) LVRS efficacy can be predicted based on pre-surgical network structure; (2) macroscopic functional improvements following bLVR are related to microscopic changes in mechanical force heterogeneity; and (3) both techniques improve aspects of survival and quality of life influenced by lung compliance, albeit while accelerating disease progression. Our model predictions yield unique insights into the microscopic origins underlying emphysema progression before and after lung volume reduction.

  10. Predicting Structure-Function Relations and Survival following Surgical and Bronchoscopic Lung Volume Reduction Treatment of Emphysema

    PubMed Central

    Mondoñedo, Jarred R.

    2017-01-01

    Lung volume reduction surgery (LVRS) and bronchoscopic lung volume reduction (bLVR) are palliative treatments aimed at reducing hyperinflation in advanced emphysema. Previous work has evaluated functional improvements and survival advantage for these techniques, although their effects on the micromechanical environment in the lung have yet to be determined. Here, we introduce a computational model to simulate a force-based destruction of elastic networks representing emphysema progression, which we use to track the response to lung volume reduction via LVRS and bLVR. We find that (1) LVRS efficacy can be predicted based on pre-surgical network structure; (2) macroscopic functional improvements following bLVR are related to microscopic changes in mechanical force heterogeneity; and (3) both techniques improve aspects of survival and quality of life influenced by lung compliance, albeit while accelerating disease progression. Our model predictions yield unique insights into the microscopic origins underlying emphysema progression before and after lung volume reduction. PMID:28182686

  11. In search of a corrected prescription drug elasticity estimate: a meta-regression approach.

    PubMed

    Gemmill, Marin C; Costa-Font, Joan; McGuire, Alistair

    2007-06-01

    An understanding of the relationship between cost sharing and drug consumption depends on consistent and unbiased price elasticity estimates. However, there is wide heterogeneity among studies, which constrains the applicability of elasticity estimates for empirical purposes and policy simulation. This paper attempts to provide a corrected measure of the drug price elasticity by employing meta-regression analysis (MRA). The results indicate that the elasticity estimates are significantly different from zero, and the corrected elasticity is -0.209 when the results are made robust to heteroskedasticity and clustering of observations. Elasticity values are higher when the study was published in an economic journal, when the study employed a greater number of observations, and when the study used aggregate data. Elasticity estimates are lower when the institutional setting was a tax-based health insurance system.

  12. Topology determines force distributions in one-dimensional random spring networks.

    PubMed

    Heidemann, Knut M; Sageman-Furnas, Andrew O; Sharma, Abhinav; Rehfeldt, Florian; Schmidt, Christoph F; Wardetzky, Max

    2018-02-01

    Networks of elastic fibers are ubiquitous in biological systems and often provide mechanical stability to cells and tissues. Fiber-reinforced materials are also common in technology. An important characteristic of such materials is their resistance to failure under load. Rupture occurs when fibers break under excessive force and when that failure propagates. Therefore, it is crucial to understand force distributions. Force distributions within such networks are typically highly inhomogeneous and are not well understood. Here we construct a simple one-dimensional model system with periodic boundary conditions by randomly placing linear springs on a circle. We consider ensembles of such networks that consist of N nodes and have an average degree of connectivity z but vary in topology. Using a graph-theoretical approach that accounts for the full topology of each network in the ensemble, we show that, surprisingly, the force distributions can be fully characterized in terms of the parameters (N,z). Despite the universal properties of such (N,z) ensembles, our analysis further reveals that a classical mean-field approach fails to capture force distributions correctly. We demonstrate that network topology is a crucial determinant of force distributions in elastic spring networks.

  13. Topology determines force distributions in one-dimensional random spring networks

    NASA Astrophysics Data System (ADS)

    Heidemann, Knut M.; Sageman-Furnas, Andrew O.; Sharma, Abhinav; Rehfeldt, Florian; Schmidt, Christoph F.; Wardetzky, Max

    2018-02-01

    Networks of elastic fibers are ubiquitous in biological systems and often provide mechanical stability to cells and tissues. Fiber-reinforced materials are also common in technology. An important characteristic of such materials is their resistance to failure under load. Rupture occurs when fibers break under excessive force and when that failure propagates. Therefore, it is crucial to understand force distributions. Force distributions within such networks are typically highly inhomogeneous and are not well understood. Here we construct a simple one-dimensional model system with periodic boundary conditions by randomly placing linear springs on a circle. We consider ensembles of such networks that consist of N nodes and have an average degree of connectivity z but vary in topology. Using a graph-theoretical approach that accounts for the full topology of each network in the ensemble, we show that, surprisingly, the force distributions can be fully characterized in terms of the parameters (N ,z ) . Despite the universal properties of such (N ,z ) ensembles, our analysis further reveals that a classical mean-field approach fails to capture force distributions correctly. We demonstrate that network topology is a crucial determinant of force distributions in elastic spring networks.

  14. In silico simulation and in vitro evaluation of an elastomeric scaffold using ultrasonic shear wave imaging

    NASA Astrophysics Data System (ADS)

    Yu, Jiao; Nie, Erwei; Zhu, Yanying; Hong, Yi

    2018-03-01

    Biodegradable elastomeric scaffolds for soft tissue repair represent a growing area of biomaterials research. Mechanical strength is one of the key factors to consider in the evaluation of candidate materials and the designs for tissue scaffolds. It is desirable to develop non-invasive evaluation methods of the mechanical property of scaffolds which would provide options for monitoring temporal mechanical property changes in situ. In this paper, we conduct in silico simulation and in vitro evaluation of an elastomeric scaffold using a novel ultrasonic shear wave imaging (USWI). The scaffold is fabricated from a biodegradable elastomer, poly(carbonate urethane) urea using salt leaching method. A numerical simulation is performed to test the robustness of the developed inversion algorithm for the elasticity map reconstruction which will be implemented in the phantom experiment. The generation and propagation of shear waves in a homogeneous tissue-mimicking medium with a circular scaffold inclusion is simulated and the elasticity map is well reconstructed. A PVA phantom experiment is performed to test the ability of USWI combined with the inversion algorithm to non-invasively characterize the mechanical property of a porous, biodegradable elastomeric scaffold. The elastic properties of the tested scaffold can be easily differentiated from the surrounding medium in the reconstructed image. The ability of the developed method to identify the edge of the scaffold and characterize the elasticity distribution is demonstrated. Preliminary results in this pilot study support the idea of applying the USWI based method for non-invasive elasticity characterization of tissue scaffolds.

  15. Ultrasound Shear Wave Simulation of Breast Tumor Using Nonlinear Tissue Elasticity

    PubMed Central

    Park, Dae Woo

    2016-01-01

    Shear wave elasticity imaging (SWEI) can assess the elasticity of tissues, but the shear modulus estimated in SWEI is often less sensitive to a subtle change of the stiffness that produces only small mechanical contrast to the background tissues. Because most soft tissues exhibit mechanical nonlinearity that differs in tissue types, mechanical contrast can be enhanced if the tissues are compressed. In this study, a finite element- (FE-) based simulation was performed for a breast tissue model, which consists of a circular (D: 10 mm, hard) tumor and surrounding tissue (soft). The SWEI was performed with 0% to 30% compression of the breast tissue model. The shear modulus of the tumor exhibited noticeably high nonlinearity compared to soft background tissue above 10% overall applied compression. As a result, the elastic modulus contrast of the tumor to the surrounding tissue was increased from 0.46 at 0% compression to 1.45 at 30% compression. PMID:27293476

  16. Development of computer-aided design system of elastic sensitive elements of automatic metering devices

    NASA Astrophysics Data System (ADS)

    Kalinkina, M. E.; Kozlov, A. S.; Labkovskaia, R. I.; Pirozhnikova, O. I.; Tkalich, V. L.; Shmakov, N. A.

    2018-05-01

    The object of research is the element base of devices of control and automation systems, including in its composition annular elastic sensitive elements, methods of their modeling, calculation algorithms and software complexes for automation of their design processes. The article is devoted to the development of the computer-aided design system of elastic sensitive elements used in weight- and force-measuring automation devices. Based on the mathematical modeling of deformation processes in a solid, as well as the results of static and dynamic analysis, the calculation of elastic elements is given using the capabilities of modern software systems based on numerical simulation. In the course of the simulation, the model was a divided hexagonal grid of finite elements with a maximum size not exceeding 2.5 mm. The results of modal and dynamic analysis are presented in this article.

  17. Elastic-plastic deformation of molybdenum single crystals shocked along [100

    DOE PAGES

    Mandal, A.; Gupta, Y. M.

    2017-01-24

    To understand the elastic-plastic deformation response of shock-compressed molybdenum (Mo) – a body-centered cubic (BCC) metal, single crystal samples were shocked along the [100] crystallographic orientation to an elastic impact stress of 12.5 GPa. Elastic-plastic wave profiles, measured at different propagation distances ranging between ~0.23 to 2.31 mm using laser interferometry, showed a time-dependent material response. Within experimental scatter, the measured elastic wave amplitudes were nearly constant over the propagation distances examined. These data point to a large and rapid elastic wave attenuation near the impact surface, before reaching a threshold value (elastic limit) of ~3.6 GPa. Numerical simulations ofmore » the measured wave profiles, performed using a dislocation-based continuum model, suggested that {110}<111> and/or {112}<111> slip systems are operative under shock loading. In contrast to shocked metal single crystals with close-packed structures, the measured wave profiles in Mo single crystals could not be explained in terms of dislocation multiplication alone. A dislocation generation mechanism, operative for shear stresses larger than that at the elastic limit, was required to model the rapid elastic wave attenuation and to provide a good overall match to the measured wave profiles. However, the physical basis for this mechanism was not established for the high-purity single crystal samples used in this study. As a result, the numerical simulations also suggested that Mo single crystals do not work harden significantly under shock loading in contrast to the behavior observed under quasi-static loading.« less

  18. Richtmyer-Meshkov flow in elastic solids.

    PubMed

    Piriz, A R; López Cela, J J; Tahir, N A; Hoffmann, D H H

    2006-09-01

    Richtmyer-Meshkov flow is studied by means of an analytical model which describes the asymptotic oscillations of a corrugated interface between two perfectly elastic solids after the interaction with a shock wave. The model shows that the flow stability is due to the restoring effect of the elastic force. It provides a simple approximate but still very accurate formula for the oscillation period. It also shows that as it is observed in numerical simulations, the amplitude oscillates around a mean value equal to the post-shock amplitude, and that this is a consequence of the stress free conditions of the material immediately after the shock interaction. Extensive numerical simulations are presented to validate the model results.

  19. Application of system dynamics for developing financially self-sustaining management policies for water and wastewater systems.

    PubMed

    Rehan, R; Knight, M A; Haas, C T; Unger, A J A

    2011-10-15

    Recently enacted regulations in Canada and elsewhere require water utilities to be financially self-sustaining over the long-term. This implies full cost recovery for providing water and wastewater services to users. This study proposes a new approach to help water utilities plan to meet the requirements of the new regulations. A causal loop diagram is developed for a financially self-sustaining water utility which frames water and wastewater network management as a complex system with multiple interconnections and feedback loops. The novel System Dynamics approach is used to develop a demonstration model for water and wastewater network management. This is the first known application of System Dynamics to water and wastewater network management. The network simulated is that of a typical Canadian water utility that has under invested in maintenance. Model results show that with no proactive rehabilitation strategy the utility will need to substantially increase its user fees to achieve financial sustainability. This increase is further exacerbated when price elasticity of water demand is considered. When the utility pursues proactive rehabilitation, financial sustainability is achieved with lower user fees. Having demonstrated the significance of feedback loops for financial management of water and wastewater networks, the paper makes the case for a more complete utility model that considers the complexity of the system by incorporating all feedback loops. Crown Copyright © 2011. Published by Elsevier Ltd. All rights reserved.

  20. First-Principles and Thermodynamic Simulation of Elastic Stress Effect on Energy of Hydrogen Dissolution in Alpha Iron

    NASA Astrophysics Data System (ADS)

    Rakitin, M. S.; Mirzoev, A. A.; Mirzaev, D. A.

    2018-04-01

    Mobile hydrogen, when dissolving in metals, redistributes due to the density gradients and elastic stresses, and enables destruction processes or phase transformations in local volumes of a solvent metal. It is rather important in solid state physics to investigate these interactions. The first-principle calculations performed in terms of the density functional theory, are used for thermodynamic simulation of the elastic stress effect on the energy of hydrogen dissolution in α-Fe crystal lattice. The paper presents investigations of the total energy of Fe-H system depending on the lattice parameter. As a result, the relation is obtained between the hydrogen dissolution energy and stress. A good agreement is shown between the existing data and simulation results. The extended equation is suggested for the chemical potential of hydrogen atom in iron within the local stress field. Two parameters affecting the hydrogen distribution are compared, namely local stress and phase transformations.

  1. Multi-scale imaging and elastic simulation of carbonates

    NASA Astrophysics Data System (ADS)

    Faisal, Titly Farhana; Awedalkarim, Ahmed; Jouini, Mohamed Soufiane; Jouiad, Mustapha; Chevalier, Sylvie; Sassi, Mohamed

    2016-05-01

    Digital Rock Physics (DRP) is an emerging technology that can be used to generate high quality, fast and cost effective special core analysis (SCAL) properties compared to conventional experimental techniques and modeling techniques. The primary workflow of DRP conssits of three elements: 1) image the rock sample using high resolution 3D scanning techniques (e.g. micro CT, FIB/SEM), 2) process and digitize the images by segmenting the pore and matrix phases 3) simulate the desired physical properties of the rocks such as elastic moduli and velocities of wave propagation. A Finite Element Method based algorithm, that discretizes the basic Hooke's Law equation of linear elasticity and solves it numerically using a fast conjugate gradient solver, developed by Garboczi and Day [1] is used for mechanical and elastic property simulations. This elastic algorithm works directly on the digital images by treating each pixel as an element. The images are assumed to have periodic constant-strain boundary condition. The bulk and shear moduli of the different phases are required inputs. For standard 1.5" diameter cores however the Micro-CT scanning reoslution (around 40 μm) does not reveal smaller micro- and nano- pores beyond the resolution. This results in an unresolved "microporous" phase, the moduli of which is uncertain. Knackstedt et al. [2] assigned effective elastic moduli to the microporous phase based on self-consistent theory (which gives good estimation of velocities for well cemented granular media). Jouini et al. [3] segmented the core plug CT scan image into three phases and assumed that micro porous phase is represented by a sub-extracted micro plug (which too was scanned using Micro-CT). Currently the elastic numerical simulations based on CT-images alone largely overpredict the bulk, shear and Young's modulus when compared to laboratory acoustic tests of the same rocks. For greater accuracy of numerical simulation prediction, better estimates of moduli inputs for this current unresolved phase is important. In this work we take a multi-scale imaging approach by first extracting a smaller 0.5" core and scanning at approx 13 µm, then further extracting a 5mm diameter core scanned at 5 μm. From this last scale, region of interests (containing unresolved areas) are identified for scanning at higher resolutions using Focalised Ion Beam (FIB/SEM) scanning technique reaching 50 nm resolution. Numerical simulation is run on such a small unresolved section to obtain a better estimate of the effective moduli which is then used as input for simulations performed using CT-images. Results are compared with expeirmental acoustic test moduli obtained also at two scales: 1.5" and 0.5" diameter cores.

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

    Mandal, A.; Gupta, Y. M.

    To understand the elastic-plastic deformation response of shock-compressed molybdenum (Mo) – a body-centered cubic (BCC) metal, single crystal samples were shocked along the [100] crystallographic orientation to an elastic impact stress of 12.5 GPa. Elastic-plastic wave profiles, measured at different propagation distances ranging between ~0.23 to 2.31 mm using laser interferometry, showed a time-dependent material response. Within experimental scatter, the measured elastic wave amplitudes were nearly constant over the propagation distances examined. These data point to a large and rapid elastic wave attenuation near the impact surface, before reaching a threshold value (elastic limit) of ~3.6 GPa. Numerical simulations ofmore » the measured wave profiles, performed using a dislocation-based continuum model, suggested that {110}<111> and/or {112}<111> slip systems are operative under shock loading. In contrast to shocked metal single crystals with close-packed structures, the measured wave profiles in Mo single crystals could not be explained in terms of dislocation multiplication alone. A dislocation generation mechanism, operative for shear stresses larger than that at the elastic limit, was required to model the rapid elastic wave attenuation and to provide a good overall match to the measured wave profiles. However, the physical basis for this mechanism was not established for the high-purity single crystal samples used in this study. As a result, the numerical simulations also suggested that Mo single crystals do not work harden significantly under shock loading in contrast to the behavior observed under quasi-static loading.« less

  3. Game Theoretic Models of Competition and Upgrade Investments in Communication Networks

    ERIC Educational Resources Information Center

    Wu, Shuang

    2010-01-01

    In the first part of this dissertation, we study the competition among network service providers in a parallel-link network with the presence of elastic user demand that diminishes both with higher prices and congestion. First we analyze a game where providers strategically price their service for single class of traffic. Later we analyze a game…

  4. Dynamic Simulation of VEGA SRM Bench Firing By Using Propellant Complex Characterization

    NASA Astrophysics Data System (ADS)

    Di Trapani, C. D.; Mastrella, E.; Bartoccini, D.; Squeo, E. A.; Mastroddi, F.; Coppotelli, G.; Linari, M.

    2012-07-01

    During the VEGA launcher development, from the 2004 up to now, 8 firing tests have been performed at Salto di Quirra (Sardinia, Italy) and Kourou (Guyana, Fr) with the objective to characterize and qualify of the Zefiros and P80 Solid Rocket Motors (SRM). In fact the VEGA launcher configuration foreseen 3 solid stages based on P80, Z23 and Z9 Solid Rocket Motors respectively. One of the primary objectives of the firing test is to correctly characterize the dynamic response of the SRM in order to apply such a characterization to the predictions and simulations of the VEGA launch dynamic environment. Considering that the solid propellant is around 90% of the SRM mass, it is very important to dynamically characterize it, and to increase the confidence in the simulation of the dynamic levels transmitted to the LV upper part from the SRMs. The activity is articulated in three parts: • consolidation of an experimental method for the dynamic characterization of the complex dynamic elasticity modulus of elasticity of visco-elastic materials applicable to the SRM propellant operative conditions • introduction of the complex dynamic elasticity modulus in a numerical FEM benchmark based on MSC NASTRAN solver • analysis of the effect of the introduction of the complex dynamic elasticity modulus in the Zefiros FEM focusing on experimental firing test data reproduction with numerical approach.

  5. Stiffening of Red Blood Cells Induced by Cytoskeleton Disorders: A Joint Theory-Experiment Study.

    PubMed

    Lai, Lipeng; Xu, Xiaofeng; Lim, Chwee Teck; Cao, Jianshu

    2015-12-01

    The functions and elasticities of the cell are largely related to the structures of the cytoskeletons underlying the lipid bilayer. Among various cell types, the red blood cell (RBC) possesses a relatively simple cytoskeletal structure. Underneath the membrane, the RBC cytoskeleton takes the form of a two-dimensional triangular network, consisting of nodes of actins (and other proteins) and edges of spectrins. Recent experiments focusing on the malaria-infected RBCs (iRBCs) show that there is a correlation between the elongation of spectrins in the cytoskeletal network and the stiffening of the iRBCs. Here we rationalize the correlation between these two observations by combining the wormlike chain model for single spectrins and the effective medium theory for the network elasticity. We specifically focus on how the disorders in the cytoskeletal network affect its macroscopic elasticity. Analytical and numerical solutions from our model reveal that the stiffness of the membrane increases with increasing end-to-end distances of spectrins, but has a nonmonotonic dependence on the variance of the end-to-end distance distributions. These predictions are verified quantitatively by our atomic force microscopy and micropipette aspiration measurements of iRBCs. The model may, from a molecular level, provide guidelines for future identification of new treatment methods for RBC-related diseases, such as malaria infection. Copyright © 2015 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  6. Elastic Model Transitions: a Hybrid Approach Utilizing Quadratic Inequality Constrained Least Squares (LSQI) and Direct Shape Mapping (DSM)

    NASA Technical Reports Server (NTRS)

    Jurenko, Robert J.; Bush, T. Jason; Ottander, John A.

    2014-01-01

    A method for transitioning linear time invariant (LTI) models in time varying simulation is proposed that utilizes both quadratically constrained least squares (LSQI) and Direct Shape Mapping (DSM) algorithms to determine physical displacements. This approach is applicable to the simulation of the elastic behavior of launch vehicles and other structures that utilize multiple LTI finite element model (FEM) derived mode sets that are propagated throughout time. The time invariant nature of the elastic data for discrete segments of the launch vehicle trajectory presents a problem of how to properly transition between models while preserving motion across the transition. In addition, energy may vary between flex models when using a truncated mode set. The LSQI-DSM algorithm can accommodate significant changes in energy between FEM models and carries elastic motion across FEM model transitions. Compared with previous approaches, the LSQI-DSM algorithm shows improvements ranging from a significant reduction to a complete removal of transients across FEM model transitions as well as maintaining elastic motion from the prior state.

  7. Chains are more flexible under tension

    PubMed Central

    Carrillo, Jan-Michael Y.; Rubinstein, Michael

    2010-01-01

    The mechanical response of networks, gels, and brush layers is a manifestation of the elastic properties of the individual macromolecules. Furthermore, the elastic response of macromolecules to an applied force is the foundation of the single-molecule force spectroscopy techniques. The two main classes of models describing chain elasticity include the worm-like and freely-jointed chain models. The selection between these two classes of models is based on the assumptions about chain flexibility. In many experimental situations the choice is not clear and a model describing the crossover between these two limiting classes is therefore in high demand. We are proposing a unified chain deformation model which describes the force-deformation curve in terms of the chain bending constant K and bond length b. This model demonstrates that the worm-like and freely-jointed chain models correspond to two different regimes of polymer deformation and the crossover between these two regimes depends on the chain bending rigidity and the magnitude of the applied force. Polymer chains with bending constant K>1 behave as a worm-like chain under tension in the interval of the applied forces f ≤ KkBT/b and as a freely-jointed chain for f ≥ KkBT/b (kB is the Boltzmann constant and T is the absolute temperature). The proposed crossover expression for chain deformation is in excellent agreement with the results of the molecular dynamics simulations of chain deformation and single-molecule deformation experiments of biological and synthetic macromolecules. PMID:21415940

  8. Control of the Speed of a Light-Induced Spin Transition through Mesoscale Core-Shell Architecture.

    PubMed

    Felts, Ashley C; Slimani, Ahmed; Cain, John M; Andrus, Matthew J; Ahir, Akhil R; Abboud, Khalil A; Meisel, Mark W; Boukheddaden, Kamel; Talham, Daniel R

    2018-05-02

    The rate of the light-induced spin transition in a coordination polymer network solid dramatically increases when included as the core in mesoscale core-shell particles. A series of photomagnetic coordination polymer core-shell heterostructures, based on the light-switchable Rb a Co b [Fe(CN) 6 ] c · mH 2 O (RbCoFe-PBA) as core with the isostructural K j Ni k [Cr(CN) 6 ] l · nH 2 O (KNiCr-PBA) as shell, are studied using temperature-dependent powder X-ray diffraction and SQUID magnetometry. The core RbCoFe-PBA exhibits a charge transfer-induced spin transition (CTIST), which can be thermally and optically induced. When coupled to the shell, the rate of the optically induced transition from low spin to high spin increases. Isothermal relaxation from the optically induced high spin state of the core back to the low spin state and activation energies associated with the transition between these states were measured. The presence of a shell decreases the activation energy, which is associated with the elastic properties of the core. Numerical simulations using an electro-elastic model for the spin transition in core-shell particles supports the findings, demonstrating how coupling of the core to the shell changes the elastic properties of the system. The ability to tune the rate of optically induced magnetic and structural phase transitions through control of mesoscale architecture presents a new approach to the development of photoswitchable materials with tailored properties.

  9. Rate limit of protein elastic response is tether dependent.

    PubMed

    Berkovich, Ronen; Hermans, Rodolfo I; Popa, Ionel; Stirnemann, Guillaume; Garcia-Manyes, Sergi; Berne, Bruce J; Fernandez, Julio M

    2012-09-04

    The elastic restoring force of tissues must be able to operate over the very wide range of loading rates experienced by living organisms. It is surprising that even the fastest events involving animal muscle tissues do not surpass a few hundred hertz. We propose that this limit is set in part by the elastic dynamics of tethered proteins extending and relaxing under a changing load. Here we study the elastic dynamics of tethered proteins using a fast force spectrometer with sub-millisecond time resolution, combined with Brownian and Molecular Dynamics simulations. We show that the act of tethering a polypeptide to an object, an inseparable part of protein elasticity in vivo and in experimental setups, greatly reduces the attempt frequency with which the protein samples its free energy. Indeed, our data shows that a tethered polypeptide can traverse its free-energy landscape with a surprisingly low effective diffusion coefficient D(eff) ~ 1,200 nm(2)/s. By contrast, our Molecular Dynamics simulations show that diffusion of an isolated protein under force occurs at D(eff) ~ 10(8) nm(2)/s. This discrepancy is attributed to the drag force caused by the tethering object. From the physiological time scales of tissue elasticity, we calculate that tethered elastic proteins equilibrate in vivo with D(eff) ~ 10(4)-10(6) nm(2)/s which is two to four orders magnitude smaller than the values measured for untethered proteins in bulk.

  10. An Elastic Plastic Contact Model with Strain Hardening for the LAMMPS Granular Package

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

    Kuhr, Bryan; Brake, Matthew Robert; Lechman, Jeremy B.

    2015-03-01

    The following details the implementation of an analytical elastic plastic contact model with strain hardening for normal im pacts into the LAMMPS granular package. The model assumes that, upon impact, the co llision has a period of elastic loading followed by a period of mixed elastic plas tic loading, with contributions to each mechanism estimated by a hyperbolic seca nt weight function. This function is implemented in the LAMMPS source code as the pair style gran/ep/history. Preliminary tests, simulating the pouring of pure nickel spheres, showed the elastic/plastic model took 1.66x as long as similar runs using gran/hertz/history.

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

    Wilson, Mark A.; Baljon, Arlette R. C.

    The response of associating polymers with oscillatory shear is studied through large-scale simulations. A hybrid molecular dynamics (MD), Monte Carlo (MC) algorithm is employed. Polymer chains are modeled as a coarse-grained bead-spring system. Functionalized end groups, at both ends of the polymer chains, can form reversible bonds according to MC rules. Stress-strain curves show nonlinearities indicated by a non-ellipsoidal shape. We consider two types of nonlinearities. Type I occurs at a strain amplitude much larger than one, type II at a frequency at which the elastic storage modulus dominates the viscous loss modulus. In this last case, the network topologymore » resembles that of the system at rest. The reversible bonds are broken and chains stretch when the system moves away from the zero-strain position. For type I, the chains relax and the number of reversible bonds peaks when the system is near an extreme of the motion. During the movement to the other extreme of the cycle, first a stress overshoot occurs, then a yield accompanied by shear-banding. Lastly, the network restructures. Interestingly, the system periodically restores bonds between the same associating groups. Even though major restructuring occurs, the system remembers previous network topologies.« less

  12. A theoretical and computational framework for mechanics of the cortex

    NASA Astrophysics Data System (ADS)

    Torres-SáNchez, Alejandro; Arroyo, Marino

    The cell cortex is a thin network of actin filaments lying beneath the cell surface of animal cells. Myosin motors exert contractile forces in this network leading to active stresses, which play a key role in processes such as cytokinesis or cell migration. Thus, understanding the mechanics of the cortex is fundamental to understand the mechanics of animal cells. Due to the dynamic remodeling of the actin network, the cortex behaves as a viscoelastic fluid. Furthermore, due to the difference between its thickness (tens of nanometers) and its dimensions (tens of microns), the cortex can be regarded a surface. Thus, we can model the cortex as a viscoelastic fluid, confined to a surface, that generates active stresses. Interestingly, geometric confinement results in the coupling between shape generation and material flows. In this work we present a theoretical framework to model the mechanics of the cortex that couples elasticity, hydrodynamics and force generation. We complement our theoretical description with a computational setting to simulate the resulting non-linear equations. We use this methodology to understand different processes such as asymmetric cell division or experimental probing of the rheology of the cortex We acknowledge the support of the Europen Research Council through Grant ERC CoG-681434.

  13. The Catastrophic Failure of Plant Hydraulic Networks Examined in Leaves

    NASA Astrophysics Data System (ADS)

    Marmottant, Philippe; Bienaimé, Diane; Brodribb, Timothy

    Plants live a dangerous game: they have to facilitate water transport in their xylem conduits while minimizing the consequence of hydraulic failure. Indeed, as water flows under negative pressure inside these conduits, cavitation bubbles can spontaneously occur. By preventing the sap transport, they could lead to the plant death. This failure dynamics of this hydraulic network is poorly studied, while it has important ecological and bioengineering implications. Here, by using a simple optical method, we were able to directly visualize the spreading of cavitation bubbles within leaves. The air invasion also progresses by stop and go, from largest veins to smallest ones. In fact, in plants, conducts are linked by small valves called pits. By temporarily blocking bubbles they delay air invasion, until the pressure difference exceeds a threshold. To test the impact of these singular valves on the air invasion, we build a simulation based on the electrokinetic analogy. Taking in account the elasticity of the channel, each conduct becomes a hydraulic resistance coupled with a capacity. We show that we can reproduce the stop and go propagation in a variety of different network architectures. ERC Bubbleboost Grant number 614655.

  14. Selection of the elastic scattering events in interactions of the NICA colliding proton (deuteron) beams

    NASA Astrophysics Data System (ADS)

    Sharov, Vasily

    2017-03-01

    The features of the kinematics of elastic pp (dd) scattering in the collider system, as well as some issues concerning registration and selection of elastic scattering events in the NICA colliding beams are considered. Equality and the opposite direction of the scattered particle momenta provide a powerful selection criterion for elastic collisions. Variants of the organization of the trigger signal for recording tracks of secondary particles and DAQ system are given. The estimates of the characteristics of elastic NN processes are obtained from available dσ/dΩCM data for the elastic pp and np scattering. The paper presents examples of simulations using the Monte-Carlo of elastic pp scattering in the colliding proton beams and quasi-elastic np scattering in the colliding deuteron beams and evaluates the outputs of these processes at the NICA collider.

  15. On the degelation of networks – Case of the radiochemical degradation of methyl methacrylate – ethylene glycol dimethacrylate copolymers

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

    Richaud, Emmanuel; Gilormini, Pierre; Verdu, Jacques

    2016-05-18

    Methyl methacrylate networks were synthetized and submitted to radiochemical degradation. Ageing was monitored by means of sol-gel analysis and glass transition temperature measurements. Networks were shown to undergo exclusively chain scission process leading to the degelation of network. The critical conversion degree corresponding to degelation (loss of all elastically active chains) is discussed regarding a statistical theory.

  16. Joys of Community Ensemble Playing: The Case of the Happy Roll Elastic Ensemble in Taiwan

    ERIC Educational Resources Information Center

    Hsieh, Yuan-Mei; Kao, Kai-Chi

    2012-01-01

    The Happy Roll Elastic Ensemble (HREE) is a community music ensemble supported by Tainan Culture Centre in Taiwan. With enjoyment and friendship as its primary goals, it aims to facilitate the joys of ensemble playing and the spirit of social networking. This article highlights the key aspects of HREE's development in its first two years…

  17. Anisotropy of the elastic properties of crystalline cellulose Iß from first principles density functional theory with Van der Waals interactions

    Treesearch

    Fernando L. Dri; Louis G. Jr. Hector; Robert J. Moon; Pablo D. Zavattieri

    2013-01-01

    In spite of the significant potential of cellulose nanocrystals as functional nanoparticles for numerous applications, a fundamental understanding of the mechanical properties of defect-free, crystalline cellulose is still lacking. In this paper, the elasticity matrix for cellulose Iß with hydrogen bonding network A was calculated using ab initio...

  18. Local structure controls the nonaffine shear and bulk moduli of disordered solids

    NASA Astrophysics Data System (ADS)

    Schlegel, M.; Brujic, J.; Terentjev, E. M.; Zaccone, A.

    2016-01-01

    Paradigmatic model systems, which are used to study the mechanical response of matter, are random networks of point-atoms, random sphere packings, or simple crystal lattices; all of these models assume central-force interactions between particles/atoms. Each of these models differs in the spatial arrangement and the correlations among particles. In turn, this is reflected in the widely different behaviours of the shear (G) and compression (K) elastic moduli. The relation between the macroscopic elasticity as encoded in G, K and their ratio, and the microscopic lattice structure/order, is not understood. We provide a quantitative analytical connection between the local orientational order and the elasticity in model amorphous solids with different internal microstructure, focusing on the two opposite limits of packings (strong excluded-volume) and networks (no excluded-volume). The theory predicts that, in packings, the local orientational order due to excluded-volume causes less nonaffinity (less softness or larger stiffness) under compression than under shear. This leads to lower values of G/K, a well-documented phenomenon which was lacking a microscopic explanation. The theory also provides an excellent one-parameter description of the elasticity of compressed emulsions in comparison with experimental data over a broad range of packing fractions.

  19. Development of New Elastomers and Elastic Nanocomposites from Plant Oils

    NASA Astrophysics Data System (ADS)

    Zhu, Lin; Wool, Richard

    2006-03-01

    Economic and environmental concerns lead to the development of new polymers from renewable resources. In this research, new elastomers were synthesized from plant oil based resins. Acrylated oleic methyl ester (AOME), synthesized from high oleic triglycerides, can readily undergo free radical polymerization and form a linear polymer. To achieve the elastic properties, different strategies have been developed to generate an elastic network and control the crosslink density. The elastomers are reinforced by nanoclays. The intercalated state has a network structure similar to thermoplastic elastomers in which the hard segments aggregate to give ordered crystalline domains. The selected organically modified clay and AOME matrix have similar solubility parameters, therefore intercalation of the monomer/polymer into the clay layers occurs and the nano-scale multilayered structure is stable. In situ intercalation and solution intercalation were used to prepare the elastic nanocomposites. Dramatic improvement in mechanical properties was observed. Changes of tensile strength, strain, Young's modulus and fracture energy were related to the clay concentration. The fracture surface was studied to further understand clay effects on the mechanical properties. Self-Healing of the intercalated nanobeams, thermal stability, biocompatibility and biodegradability of this new elastomer were also explored.

  20. Development of a non-linear simulation for generic hypersonic vehicles - ASUHS1

    NASA Technical Reports Server (NTRS)

    Salas, Juan; Lovell, T. Alan; Schmidt, David K.

    1993-01-01

    A nonlinear simulation is developed to model the longitudinal motion of a vehicle in hypersonic flight. The equations of motion pertinent to this study are presented. Analytic expressions for the aerodynamic forces acting on a hypersonic vehicle which were obtained from Newtonian Impact Theory are further developed. The control surface forces are further examined to incorporate vehicle elastic motion. The purpose is to establish feasible equations of motion which combine rigid body, elastic, and aeropropulsive dynamics for use in nonlinear simulations. The software package SIMULINK is used to implement the simulation. Also discussed are issues needing additional attention and potential problems associated with the implementation (with proposed solutions).

  1. Nonlinear conduction via solitons in a topological mechanical insulator.

    PubMed

    Chen, Bryan Gin-ge; Upadhyaya, Nitin; Vitelli, Vincenzo

    2014-09-09

    Networks of rigid bars connected by joints, termed linkages, provide a minimal framework to design robotic arms and mechanical metamaterials built of folding components. Here, we investigate a chain-like linkage that, according to linear elasticity, behaves like a topological mechanical insulator whose zero-energy modes are localized at the edge. Simple experiments we performed using prototypes of the chain vividly illustrate how the soft motion, initially localized at the edge, can in fact propagate unobstructed all of the way to the opposite end. Using real prototypes, simulations, and analytical models, we demonstrate that the chain is a mechanical conductor, whose carriers are nonlinear solitary waves, not captured within linear elasticity. Indeed, the linkage prototype can be regarded as the simplest example of a topological metamaterial whose protected mechanical excitations are solitons, moving domain walls between distinct topological mechanical phases. More practically, we have built a topologically protected mechanism that can perform basic tasks such as transporting a mechanical state from one location to another. Our work paves the way toward adopting the principle of topological robustness in the design of robots assembled from activated linkages as well as in the fabrication of complex molecular nanostructures.

  2. Application of nondestructive testing methods to study the damage zone underneath impact craters of MEMIN laboratory experiments

    NASA Astrophysics Data System (ADS)

    Moser, Dorothee; Poelchau, Michael H.; Stark, Florian; Grosse, Christian

    2013-01-01

    Within the framework of the Multidisciplinary Experimental and Modeling Impact Research Network (MEMIN) research group, the damage zones underneath two experimentally produced impact craters in sandstone targets were investigated using several nondestructive testing (NDT) methods. The 20 × 20 × 20 cm sandstones were impacted by steel projectiles with a radius of 1.25 mm at approximately 5 km s-1, resulting in craters with approximately 6 cm diameter and approximately 1 cm depth. Ultrasound (US) tomography and vibrational analysis were applied before and after the impact experiments to characterize the damage zone, and micro-computer tomography (μ-CT) measurements were performed to visualize subsurface fractures. The newly obtained experimental data can help to quantify the extent of the damage zone, which extends to about 8 cm depth in the target. The impacted sandstone shows a local p-wave reduction of 18% below the crater floor, and a general reduction in elastic moduli by between approximately 9 and approximately 18%, depending on the type of elastic modulus. The results contribute to a better empirical and theoretical understanding of hypervelocity events and simulations of cratering processes.

  3. Transverse compression of PPTA fibers

    NASA Astrophysics Data System (ADS)

    Singletary, James

    2000-07-01

    Results of single transverse compression testing of PPTA and PIPD fibers, using a novel test device, are presented and discussed. In the tests, short lengths of single fibers are compressed between two parallel, stiff platens. The fiber elastic deformation is analyzed as a Hertzian contact problem. The inelastic deformation is analyzed by elastic-plastic FE simulation and by laser-scanning confocal microscopy of the compressed fibers ex post facto. The results obtained are compared to those in the literature and to the theoretical predictions of PPTA fiber transverse elasticity based on PPTA crystal elasticity.

  4. Pulsatile blood flow in elastic artery with model aneurysm

    NASA Astrophysics Data System (ADS)

    Nikolov, N.; Radev, St.; Tabakova, S.

    2017-11-01

    The mathematical modeling and numerical simulations are expected to play an important role to predict the genesis of different cardiovascular diseases, such as the formation and rupture of aneurysms. In the present work, the numerical solutions of the oscillatory blood flow are constructed for an elastic artery with a model aneurysm by use of the software ANSYS. It is observed that the artery elastic strain behaves in a different way: stably or unstably depending on the different combinations between the flow parameter (outlet pressure) and the elastic modulus of the artery wall.

  5. Manufacture and Preparation of Test Specimens for Johnson-Cook Material Characterization

    DTIC Science & Technology

    2013-01-01

    modeling and simulation, and will be included in the Elastic Plastic Impact Code (EPIC) library. This report describes the welding and machining...used by the government for ballistic, blast and other types of modeling and simulation, and will be included in the Elastic Plastic Impact Code (EPIC...made of H13 tool steel with a scrolled pin and shoulder (See Figure 2-3) was used however the different heat requirements of the materials required

  6. Dynamic routing and spectrum assignment based on multilayer virtual topology and ant colony optimization in elastic software-defined optical networks

    NASA Astrophysics Data System (ADS)

    Wang, Fu; Liu, Bo; Zhang, Lijia; Zhang, Qi; Tian, Qinghua; Tian, Feng; Rao, Lan; Xin, Xiangjun

    2017-07-01

    Elastic software-defined optical networks greatly improve the flexibility of the optical switching network while it has brought challenges to the routing and spectrum assignment (RSA). A multilayer virtual topology model is proposed to solve RSA problems. Two RSA algorithms based on the virtual topology are proposed, which are the ant colony optimization (ACO) algorithm of minimum consecutiveness loss and the ACO algorithm of maximum spectrum consecutiveness. Due to the computing power of the control layer in the software-defined network, the routing algorithm avoids the frequent link-state information between routers. Based on the effect of the spectrum consecutiveness loss on the pheromone in the ACO, the path and spectrum of the minimal impact on the network are selected for the service request. The proposed algorithms have been compared with other algorithms. The results show that the proposed algorithms can reduce the blocking rate by at least 5% and perform better in spectrum efficiency. Moreover, the proposed algorithms can effectively decrease spectrum fragmentation and enhance available spectrum consecutiveness.

  7. Time-resolved observation of protein allosteric communication

    PubMed Central

    Buchenberg, Sebastian; Sittel, Florian; Stock, Gerhard

    2017-01-01

    Allostery represents a fundamental mechanism of biological regulation that is mediated via long-range communication between distant protein sites. Although little is known about the underlying dynamical process, recent time-resolved infrared spectroscopy experiments on a photoswitchable PDZ domain (PDZ2S) have indicated that the allosteric transition occurs on multiple timescales. Here, using extensive nonequilibrium molecular dynamics simulations, a time-dependent picture of the allosteric communication in PDZ2S is developed. The simulations reveal that allostery amounts to the propagation of structural and dynamical changes that are genuinely nonlinear and can occur in a nonlocal fashion. A dynamic network model is constructed that illustrates the hierarchy and exceeding structural heterogeneity of the process. In compelling agreement with experiment, three physically distinct phases of the time evolution are identified, describing elastic response (≲0.1 ns), inelastic reorganization (∼100 ns), and structural relaxation (≳1μs). Issues such as the similarity to downhill folding as well as the interpretation of allosteric pathways are discussed. PMID:28760989

  8. Molecular Dynamics Simulation Studies of Fracture in Two Dimensions

    DTIC Science & Technology

    1980-05-01

    reversibility of trajectories. The microscopic elastic constants, dispersion relation and phonon spectrum of the system were determined by lattice dynamics. These... linear elasticity theory of a two-dimensional crack embedded in an infinite medium. System con- sists of 436 particles arranged in a tri- angular lattice ...satisfying these demands. In evaluating the mechanical energy of his model, Griffith used a result from linear elasticity theory, namely that for any body

  9. Elasticity/distensibility of the ascending aorta: basal conditions and simulated conditions from space flights.

    PubMed

    Alessandri, N; Tufano, F; Petrassi, M; Alessandri, C; Lanzi, L; Fusco, L; Moscariello, F; De Angelis, C; Tomao, E

    2010-05-01

    The hysto-morfological composition of the ascending aorta wall gives to the vessel its characteristic elasticity/distensibility, which is deteriorated due to both physiological (age) and pathological events (hypertension, diabetes, dyslipidemia). This contributes to reduce the wall elasticity and to occurrence of cardiovascular events. Thirty young healthy subjects (20 males, 10 females, age <30 yr), were subjected to different postural conditions with and without Lower Body Negative Pressure (LBNP) with conventional procedures, to simulate the microgravity conditions in space flight. During this procedure the cardiovascular parameters and the aorta elasticity were assessed with ecocardiography. The observation of results and statistical comparison showed that despite different hemodynamic conditions and with significant variation of blood pressure related to posture, elasticity/distensibility did not change significantly. The elasticity/distensibility of arterial vessels is the result of two interdependent variables such as blood pressure and systolic and diastolic diameters. While blood pressure and heart rate vary physiologically in relation to posture, the compensation of the vessel diameters modifications maintains the aortic compliance invariate. Therefore, in young healthy people, despite the significant postural and the sudden pressure changes (equivalent to parietal stress) aortic compliance does not alter. This behavior might be related to the low rate of cardiovascular events that are present in healthy people aged under 30 yrs.

  10. Multiscale virtual particle based elastic network model (MVP-ENM) for normal mode analysis of large-sized biomolecules.

    PubMed

    Xia, Kelin

    2017-12-20

    In this paper, a multiscale virtual particle based elastic network model (MVP-ENM) is proposed for the normal mode analysis of large-sized biomolecules. The multiscale virtual particle (MVP) model is proposed for the discretization of biomolecular density data. With this model, large-sized biomolecular structures can be coarse-grained into virtual particles such that a balance between model accuracy and computational cost can be achieved. An elastic network is constructed by assuming "connections" between virtual particles. The connection is described by a special harmonic potential function, which considers the influence from both the mass distributions and distance relations of the virtual particles. Two independent models, i.e., the multiscale virtual particle based Gaussian network model (MVP-GNM) and the multiscale virtual particle based anisotropic network model (MVP-ANM), are proposed. It has been found that in the Debye-Waller factor (B-factor) prediction, the results from our MVP-GNM with a high resolution are as good as the ones from GNM. Even with low resolutions, our MVP-GNM can still capture the global behavior of the B-factor very well with mismatches predominantly from the regions with large B-factor values. Further, it has been demonstrated that the low-frequency eigenmodes from our MVP-ANM are highly consistent with the ones from ANM even with very low resolutions and a coarse grid. Finally, the great advantage of MVP-ANM model for large-sized biomolecules has been demonstrated by using two poliovirus virus structures. The paper ends with a conclusion.

  11. First field demonstration of cloud datacenter workflow automation employing dynamic optical transport network resources under OpenStack and OpenFlow orchestration.

    PubMed

    Szyrkowiec, Thomas; Autenrieth, Achim; Gunning, Paul; Wright, Paul; Lord, Andrew; Elbers, Jörg-Peter; Lumb, Alan

    2014-02-10

    For the first time, we demonstrate the orchestration of elastic datacenter and inter-datacenter transport network resources using a combination of OpenStack and OpenFlow. Programmatic control allows a datacenter operator to dynamically request optical lightpaths from a transport network operator to accommodate rapid changes of inter-datacenter workflows.

  12. FEM simulation of single beard hair cutting with foil-blade-shaving system.

    PubMed

    Fang, Gang; Köppl, Alois

    2015-06-01

    The performance of dry-shavers depends on the interaction of the shaving components, hair and skin. Finite element models on the ABAQUS/Explicit platform are established to simulate the process of beard hair cutting. The skin is modelled as three-layer structure with a single cylindrical hair inserted into the skin. The material properties of skin are considered as Neo-Hookean hyper-elastic (epidermis) and Prony visco-elastic (dermis and hypodermis) with finite deformations. The hair is modelled as elastic-plastic material with shear damage. The cutting system is composed of a blade and a foil of shaver. The simulation results of cutting processes are analyzed, including the skin compression, hair bending, hair cutting and hair severance. Calculations of cutting loads, skin stress, and hair damage show the impact of clearance, skin bulge height, blade dimension and shape on cutting results. The details show the build-up of finite element models for hair cutting, and highlight the challenges arising during model construction and numerical simulation. Copyright © 2015 Elsevier Ltd. All rights reserved.

  13. Multiscale Modelling for investigating single molecule effects on the mechanics of actin filaments

    NASA Astrophysics Data System (ADS)

    A, Deriu Marco; C, Bidone Tamara; Laura, Carbone; Cristina, Bignardi; M, Montevecchi Franco; Umberto, Morbiducci

    2011-12-01

    This work presents a preliminary multiscale computational investigation of the effects of nucleotides and cations on the mechanics of actin filaments (F-actin). At the molecular level, Molecular Dynamics (MD) simulations are employed to characterize the rearrangements of the actin monomers (G-actin) in terms of secondary structures evolution in physiological conditions. At the mesoscale level, a coarse grain (CG) procedure is adopted where each monomer is represented by means of Elastic Network Modeling (ENM) technique. At the macroscale level, actin filaments up to hundreds of nanometers are assumed as isotropic and elastic beams and characterized via Rotation Translation Block (RTB) analysis. F-actin bound to adenosine triphosphate (ATP) shows a persistence length around 5 μm, while actin filaments bound to adenosine diphosphate (ADP) have a persistence length of about 3 μm. With magnesium bound to the high affinity binding site of G-actin, the persistence length of F-actin decreases to about 2 μm only in the ADP-bound form of the filament, while the same ion has no effects, in terms of stiffness variation, on the ATP-bound form of F-actin. The molecular mechanisms behind these changes in flexibility are herein elucidated. Thus, this study allows to analyze how the local binding of cations and nucleotides on G-actin induce molecular rearrangements that transmit to the overall F-actin, characterizing shifts of mechanical properties, that can be related with physiological and pathological cellular phenomena, as cell migration and spreading. Further, this study provides the basis for upcoming investigating of network and cellular remodelling at higher length scales.

  14. Fast computation of high energy elastic collision scattering angle for electric propulsion plume simulation

    NASA Astrophysics Data System (ADS)

    Araki, Samuel J.

    2016-11-01

    In the plumes of Hall thrusters and ion thrusters, high energy ions experience elastic collisions with slow neutral atoms. These collisions involve a process of momentum exchange, altering the initial velocity vectors of the collision pair. In addition to the momentum exchange process, ions and atoms can exchange electrons, resulting in slow charge-exchange ions and fast atoms. In these simulations, it is particularly important to accurately perform computations of ion-atom elastic collisions in determining the plume current profile and assessing the integration of spacecraft components. The existing models are currently capable of accurate calculation but are not fast enough such that the calculation can be a bottleneck of plume simulations. This study investigates methods to accelerate an ion-atom elastic collision calculation that includes both momentum- and charge-exchange processes. The scattering angles are pre-computed through a classical approach with ab initio spin-orbit free potential and are stored in a two-dimensional array as functions of impact parameter and energy. When performing a collision calculation for an ion-atom pair, the scattering angle is computed by a table lookup and multiple linear interpolations, given the relative energy and randomly determined impact parameter. In order to further accelerate the calculations, the number of collision calculations is reduced by properly defining two cut-off cross-sections for the elastic scattering. In the MCC method, the target atom needs to be sampled; however, it is confirmed that initial target atom velocity does not play a significant role in typical electric propulsion plume simulations such that the sampling process is unnecessary. With these implementations, the computational run-time to perform a collision calculation is reduced significantly compared to previous methods, while retaining the accuracy of the high fidelity models.

  15. Elastic guided wave propagation in electrical cables.

    PubMed

    Mateo, Carlos; Talavera, Juan A; Muñoz, Antonio

    2007-07-01

    This article analyzes the propagation modes of ultrasound waves inside an electrical cable in order to assess its behavior as an acoustic transmission channel. A theoretical model for propagation of elastic waves in electric power cables is presented. The power cables are represented as viscoelastic-layered cylindrical structures with a copper core and a dielectric cover. The model equations then have been applied and numerically resolved for this and other known structures such as solid and hollow cylinders. The results are compared with available data from other models. Several experimental measures were carried out and were compared with results from the numerical simulations. Experimental and simulated results showed a significant difference between elastic wave attenuation inside standard versus bare, low-voltage power cables.

  16. Simulation and experimental analysis of nanoindentation and mechanical properties of amorphous NiAl alloys.

    PubMed

    Wang, Chih-Hao; Fang, Te-Hua; Cheng, Po-Chien; Chiang, Chia-Chin; Chao, Kuan-Chi

    2015-06-01

    This paper used numerical and experimental methods to investigate the mechanical properties of amorphous NiAl alloys during the nanoindentation process. A simulation was performed using the many-body tight-binding potential method. Temperature, plastic deformation, elastic recovery, and hardness were evaluated. The experimental method was based on nanoindentation measurements, allowing a precise prediction of Young's modulus and hardness values for comparison with the simulation results. The indentation simulation results showed a significant increase of NiAl hardness and elastic recovery with increasing Ni content. Furthermore, the results showed that hardness and Young's modulus increase with increasing Ni content. The simulation results are in good agreement with the experimental results. Adhesion test of amorphous NiAl alloys at room temperature is also described in this study.

  17. Equilibrium & Nonequilibrium Fluctuation Effects in Biopolymer Networks

    NASA Astrophysics Data System (ADS)

    Kachan, Devin Michael

    Fluctuation-induced interactions are an important organizing principle in a variety of soft matter systems. In this dissertation, I explore the role of both thermal and active fluctuations within cross-linked polymer networks. The systems I study are in large part inspired by the amazing physics found within the cytoskeleton of eukaryotic cells. I first predict and verify the existence of a thermal Casimir force between cross-linkers bound to a semi-flexible polymer. The calculation is complicated by the appearance of second order derivatives in the bending Hamiltonian for such polymers, which requires a careful evaluation of the the path integral formulation of the partition function in order to arrive at the physically correct continuum limit and properly address ultraviolet divergences. I find that cross linkers interact along a filament with an attractive logarithmic potential proportional to thermal energy. The proportionality constant depends on whether and how the cross linkers constrain the relative angle between the two filaments to which they are bound. The interaction has important implications for the synthesis of biopolymer bundles within cells. I model the cross-linkers as existing in two phases: bound to the bundle and free in solution. When the cross-linkers are bound, they behave as a one-dimensional gas of particles interacting with the Casimir force, while the free phase is a simple ideal gas. Demanding equilibrium between the two phases, I find a discontinuous transition between a sparsely and a densely bound bundle. This discontinuous condensation transition induced by the long-ranged nature of the Casimir interaction allows for a similarly abrupt structural transition in semiflexible filament networks between a low cross linker density isotropic phase and a higher cross link density bundle network. This work is supported by the results of finite element Brownian dynamics simulations of semiflexible filaments and transient cross-linkers. I speculate that cells take advantage of this equilibrium effect by tuning near the transition point, where small changes in free cross-linker density will affect large structural rearrangements between free filament networks and networks of bundles. Cells are naturally found far from equilibrium, where the active influx of energy from ATP consumption controls the dynamics. Motor proteins actively generate forces within biopolymer networks, and one may ask how these differ from the random stresses characteristic of equilibrium fluctuations. Besides the trivial observation that the magnitude is independent of temperature, I find that the processive nature of the motors creates a temporally correlated, or colored, noise spectrum. I model the network with a nonlinear scalar elastic theory in the presence of active driving, and study the long distance and large scale properties of the system with renormalization group techniques. I find that there is a new critical point associated with diverging correlation time, and that the colored noise produces novel frequency dependence in the renormalized transport coefficients. Finally, I study marginally elastic solids which have vanishing shear modulus due to the presence of soft modes, modes with zero deformation cost. Although network coordination is a useful metric for determining the mechanical response of random spring networks in mechanical equilibrium, it is insufficient for describing networks under external stress. In particular, under-constrained networks which are fluid-like at zero load will dynamically stiffen at a critical strain, as observed in numerical simulations and experimentally in many biopolymer networks. Drawing upon analogies to the stress induced unjamming of emulsions, I develop a kinetic theory to explain the rigidity transition in spring and filament networks. Describing the dynamic evolution of non-affine deformation via a simple mechanistic picture, I recover the emergent nonlinear strain-stiffening behavior and compare this behavior to the yield stress flow seen in soft glassy fluids. I extend this theory to account for coordination number inhomogeneities and predict a breakdown of universal scaling near the critical point at sufficiently high disorder, and discuss the utility for this type of model in describing biopolymer networks.

  18. Photoelectron angular distribution from free SiO2 nanoparticles as a probe of elastic electron scattering.

    PubMed

    Antonsson, E; Langer, B; Halfpap, I; Gottwald, J; Rühl, E

    2017-06-28

    In order to gain quantitative information on the surface composition of nanoparticles from X-ray photoelectron spectroscopy, a detailed understanding of photoelectron transport phenomena in these samples is needed. Theoretical results on the elastic and inelastic scattering have been reported, but a rigorous experimental verification is lacking. We report in this work on the photoelectron angular distribution from free SiO 2 nanoparticles (d = 122 ± 9 nm) after ionization by soft X-rays above the Si 2p and O 1s absorption edges, which gives insight into the relative importance of elastic and inelastic scattering channels in the sample particles. The photoelectron angular anisotropy is found to be lower for photoemission from SiO 2 nanoparticles than that expected from the theoretical values for the isolated Si and O atoms in the photoelectron kinetic energy range 20-380 eV. The reduced angular anisotropy is explained by elastic scattering of the outgoing photoelectrons from neighboring atoms, smearing out the atomic distribution. Photoelectron angular distributions yield detailed information on photoelectron elastic scattering processes allowing for a quantification of the number of elastic scattering events the photoelectrons have undergone prior to leaving the sample. The interpretation of the experimental photoelectron angular distributions is complemented by Monte Carlo simulations, which take inelastic and elastic photoelectron scattering into account using theoretical values for the scattering cross sections. The results of the simulations reproduce the experimental photoelectron angular distributions and provide further support for the assignment that elastic and inelastic electron scattering processes need to be considered.

  19. High Birefringence Liquid Crystals for Laser Hardening and IR Countermeasure

    DTIC Science & Technology

    2004-09-24

    A fast-switching and scattering-free phase modulator using polymer network liquid crystal ( PNLC ) is demonstrated at **=l.55 um for laser beam...steering application. The strong polymer network anchoring greatly reduces the visco-elastic coefficient of the liquid crystal. As a result, the PNLC

  20. ZIP2DL: An Elastic-Plastic, Large-Rotation Finite-Element Stress Analysis and Crack-Growth Simulation Program

    NASA Technical Reports Server (NTRS)

    Deng, Xiaomin; Newman, James C., Jr.

    1997-01-01

    ZIP2DL is a two-dimensional, elastic-plastic finte element program for stress analysis and crack growth simulations, developed for the NASA Langley Research Center. It has many of the salient features of the ZIP2D program. For example, ZIP2DL contains five material models (linearly elastic, elastic-perfectly plastic, power-law hardening, linear hardening, and multi-linear hardening models), and it can simulate mixed-mode crack growth for prescribed crack growth paths under plane stress, plane strain and mixed state of stress conditions. Further, as an extension of ZIP2D, it also includes a number of new capabilities. The large-deformation kinematics in ZIP2DL will allow it to handle elastic problems with large strains and large rotations, and elastic-plastic problems with small strains and large rotations. Loading conditions in terms of surface traction, concentrated load, and nodal displacement can be applied with a default linear time dependence or they can be programmed according to a user-defined time dependence through a user subroutine. The restart capability of ZIP2DL will make it possible to stop the execution of the program at any time, analyze the results and/or modify execution options and resume and continue the execution of the program. This report includes three sectons: a theoretical manual section, a user manual section, and an example manual secton. In the theoretical secton, the mathematics behind the various aspects of the program are concisely outlined. In the user manual section, a line-by-line explanation of the input data is given. In the example manual secton, three types of examples are presented to demonstrate the accuracy and illustrate the use of this program.

  1. Biaxial Testing of 2219-T87 Aluminum Alloy Using Cruciform Specimens

    NASA Technical Reports Server (NTRS)

    Dawicke, D. S.; Pollock, W. D.

    1997-01-01

    A cruciform biaxial test specimen was designed and seven biaxial tensile tests were conducted on 2219-T87 aluminum alloy. An elastic-plastic finite element analysis was used to simulate each tests and predict the yield stresses. The elastic-plastic finite analysis accurately simulated the measured load-strain behavior for each test. The yield stresses predicted by the finite element analyses indicated that the yield behavior of the 2219-T87 aluminum alloy agrees with the von Mises yield criterion.

  2. The convolutional differentiator method for numerical modelling of acoustic and elastic wavefields

    NASA Astrophysics Data System (ADS)

    Zhang, Zhong-Jie; Teng, Ji-Wen; Yang, Ding-Hui

    1996-02-01

    Based on the techniques of forward and inverse Fourier transformation, the authors discussed the design scheme of ordinary differentiator used and applied in the simulation of acoustic and elastic wavefields in isotropic media respectively. To compress Gibbs effects by truncation effectively, Hanning window is introduced in. The model computation shows that, the convolutional differentiator method has the advantages of rapidity, low requirements of computer’s inner storage and high precision, which is a potential method of numerical simulation.

  3. Models for twistable elastic polymers in Brownian dynamics, and their implementation for LAMMPS.

    PubMed

    Brackley, C A; Morozov, A N; Marenduzzo, D

    2014-04-07

    An elastic rod model for semi-flexible polymers is presented. Theory for a continuum rod is reviewed, and it is shown that a popular discretised model used in numerical simulations gives the correct continuum limit. Correlation functions relating to both bending and twisting of the rod are derived for both continuous and discrete cases, and results are compared with numerical simulations. Finally, two possible implementations of the discretised model in the multi-purpose molecular dynamics software package LAMMPS are described.

  4. Filamentary structures that self-organize due to adhesion

    NASA Astrophysics Data System (ADS)

    Sengab, A.; Picu, R. C.

    2018-03-01

    We study the self-organization of random collections of elastic filaments that interact adhesively. The evolution from an initial fully random quasi-two-dimensional state is controlled by filament elasticity, adhesion and interfilament friction, and excluded volume. Three outcomes are possible: the system may remain locked in the initial state, may organize into isolated fiber bundles, or may form a stable, connected network of bundles. The range of system parameters leading to each of these states is identified. The network of bundles is subisostatic and is stabilized by prestressed triangular features forming at bundle-to-bundle nodes, similar to the situation in foams. Interfiber friction promotes locking and expands the parametric range of nonevolving systems.

  5. New generation of elastic network models.

    PubMed

    López-Blanco, José Ramón; Chacón, Pablo

    2016-04-01

    The intrinsic flexibility of proteins and nucleic acids can be grasped from remarkably simple mechanical models of particles connected by springs. In recent decades, Elastic Network Models (ENMs) combined with Normal Model Analysis widely confirmed their ability to predict biologically relevant motions of biomolecules and soon became a popular methodology to reveal large-scale dynamics in multiple structural biology scenarios. The simplicity, robustness, low computational cost, and relatively high accuracy are the reasons behind the success of ENMs. This review focuses on recent advances in the development and application of ENMs, paying particular attention to combinations with experimental data. Successful application scenarios include large macromolecular machines, structural refinement, docking, and evolutionary conservation. Copyright © 2015 Elsevier Ltd. All rights reserved.

  6. Evaluation of copper, aluminum, and nickel interatomic potentials on predicting the elastic properties

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

    Rassoulinejad-Mousavi, Seyed Moein; Mao, Yijin; Zhang, Yuwen, E-mail: zhangyu@missouri.edu

    Choice of appropriate force field is one of the main concerns of any atomistic simulation that needs to be seriously considered in order to yield reliable results. Since investigations on the mechanical behavior of materials at micro/nanoscale have been becoming much more widespread, it is necessary to determine an adequate potential which accurately models the interaction of the atoms for desired applications. In this framework, reliability of multiple embedded atom method based interatomic potentials for predicting the elastic properties was investigated. Assessments were carried out for different copper, aluminum, and nickel interatomic potentials at room temperature which is considered asmore » the most applicable case. Examined force fields for the three species were taken from online repositories of National Institute of Standards and Technology, as well as the Sandia National Laboratories, the LAMMPS database. Using molecular dynamic simulations, the three independent elastic constants, C{sub 11}, C{sub 12}, and C{sub 44}, were found for Cu, Al, and Ni cubic single crystals. Voigt-Reuss-Hill approximation was then implemented to convert elastic constants of the single crystals into isotropic polycrystalline elastic moduli including bulk modulus, shear modulus, and Young's modulus as well as Poisson's ratio. Simulation results from massive molecular dynamic were compared with available experimental data in the literature to justify the robustness of each potential for each species. Eventually, accurate interatomic potentials have been recommended for finding each of the elastic properties of the pure species. Exactitude of the elastic properties was found to be sensitive to the choice of the force fields. Those potentials that were fitted for a specific compound may not necessarily work accurately for all the existing pure species. Tabulated results in this paper might be used as a benchmark to increase assurance of using the interatomic potential that was designated for a problem.« less

  7. Laboratory Tests of Bitumen Samples Elasticity

    NASA Astrophysics Data System (ADS)

    Ziganshin, E. R.; Usmanov, S. A.; Khasanov, D. I.; Khamidullina, G. S.

    2018-05-01

    This paper is devoted to the study of the elastic and acoustic properties of bitumen core samples. The travel velocities of the ultrasonic P- and S-waves were determined under in-situ simulation conditions. The resulting data were then used to calculate dynamic Young's modulus and Poisson's ratio. The authors studied the correlation between the elasticity and the permeability and porosity. In addition, the tests looked into how the acoustic properties had changed with temperature rise.

  8. Lattice Boltzmann method for simulating the viscous flow in large distensible blood vessels

    NASA Astrophysics Data System (ADS)

    Fang, Haiping; Wang, Zuowei; Lin, Zhifang; Liu, Muren

    2002-05-01

    A lattice Boltzmann method for simulating the viscous flow in large distensible blood vessels is presented by introducing a boundary condition for elastic and moving boundaries. The mass conservation for the boundary condition is tested in detail. The viscous flow in elastic vessels is simulated with a pressure-radius relationship similar to that of the pulmonary blood vessels. The numerical results for steady flow agree with the analytical prediction to very high accuracy, and the simulation results for pulsatile flow are comparable with those of the aortic flows observed experimentally. The model is expected to find many applications for studying blood flows in large distensible arteries, especially in those suffering from atherosclerosis, stenosis, aneurysm, etc.

  9. Simulations of X-ray diffraction of shock-compressed single-crystal tantalum with synchrotron undulator sources

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

    Tang, M. X.; Zhang, Y. Y.; E, J. C.

    Polychromatic synchrotron undulator X-ray sources are useful for ultrafast single-crystal diffraction under shock compression. Here, simulations of X-ray diffraction of shock-compressed single-crystal tantalum with realistic undulator sources are reported, based on large-scale molecular dynamics simulations. Purely elastic deformation, elastic–plastic two-wave structure, and severe plastic deformation under different impact velocities are explored, as well as an edge release case. Transmission-mode diffraction simulations consider crystallographic orientation, loading direction, incident beam direction, X-ray spectrum bandwidth and realistic detector size. Diffraction patterns and reciprocal space nodes are obtained from atomic configurations for different loading (elastic and plastic) and detection conditions, and interpretation of themore » diffraction patterns is discussed.« less

  10. A Fourier-based total-field/scattered-field technique for three-dimensional broadband simulations of elastic targets near a water-sand interface.

    PubMed

    Shao, Yu; Wang, Shumin

    2016-12-01

    The numerical simulation of acoustic scattering from elastic objects near a water-sand interface is critical to underwater target identification. Frequency-domain methods are computationally expensive, especially for large-scale broadband problems. A numerical technique is proposed to enable the efficient use of finite-difference time-domain method for broadband simulations. By incorporating a total-field/scattered-field boundary, the simulation domain is restricted inside a tightly bounded region. The incident field is further synthesized by the Fourier transform for both subcritical and supercritical incidences. Finally, the scattered far field is computed using a half-space Green's function. Numerical examples are further provided to demonstrate the accuracy and efficiency of the proposed technique.

  11. Application of bi-Helmholtz nonlocal elasticity and molecular simulations to the dynamical response of carbon nanotubes

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

    Koutsoumaris, C. Chr.; Tsamasphyros, G. J.; Vogiatzis, G. G.

    2015-12-31

    The nonlocal theory of elasticity is employed for the study of the free vibrations of carbon nanotubes (CNT). For the first time, a bi-Helmholtz operator has been used instead of the standard Helmholtz operator in a nonlocal beam model. Alongside the continuum formulation and its numerical solution, atomistic Molecular Dynamics (MD) simulations have been conducted in order to directly evaluate the eigenfrequencies of vibrating CNTs with a minimum of adjustable parameters. Our results show that the bi-Helmholtz operator is the most appropriate one to fit MD simulation results. However, the estimation of vibration eigenfrequencies from molecular simulations still remains anmore » open (albeit well-posed) problem.« less

  12. A numerical homogenization method for heterogeneous, anisotropic elastic media based on multiscale theory

    DOE PAGES

    Gao, Kai; Chung, Eric T.; Gibson, Richard L.; ...

    2015-06-05

    The development of reliable methods for upscaling fine scale models of elastic media has long been an important topic for rock physics and applied seismology. Several effective medium theories have been developed to provide elastic parameters for materials such as finely layered media or randomly oriented or aligned fractures. In such cases, the analytic solutions for upscaled properties can be used for accurate prediction of wave propagation. However, such theories cannot be applied directly to homogenize elastic media with more complex, arbitrary spatial heterogeneity. We therefore propose a numerical homogenization algorithm based on multiscale finite element methods for simulating elasticmore » wave propagation in heterogeneous, anisotropic elastic media. Specifically, our method used multiscale basis functions obtained from a local linear elasticity problem with appropriately defined boundary conditions. Homogenized, effective medium parameters were then computed using these basis functions, and the approach applied a numerical discretization that is similar to the rotated staggered-grid finite difference scheme. Comparisons of the results from our method and from conventional, analytical approaches for finely layered media showed that the homogenization reliably estimated elastic parameters for this simple geometry. Additional tests examined anisotropic models with arbitrary spatial heterogeneity where the average size of the heterogeneities ranged from several centimeters to several meters, and the ratio between the dominant wavelength and the average size of the arbitrary heterogeneities ranged from 10 to 100. Comparisons to finite-difference simulations proved that the numerical homogenization was equally accurate for these complex cases.« less

  13. Rate limit of protein elastic response is tether dependent

    PubMed Central

    Berkovich, Ronen; Hermans, Rodolfo I.; Popa, Ionel; Stirnemann, Guillaume; Garcia-Manyes, Sergi; Berne, Bruce J.; Fernandez, Julio M.

    2012-01-01

    The elastic restoring force of tissues must be able to operate over the very wide range of loading rates experienced by living organisms. It is surprising that even the fastest events involving animal muscle tissues do not surpass a few hundred hertz. We propose that this limit is set in part by the elastic dynamics of tethered proteins extending and relaxing under a changing load. Here we study the elastic dynamics of tethered proteins using a fast force spectrometer with sub-millisecond time resolution, combined with Brownian and Molecular Dynamics simulations. We show that the act of tethering a polypeptide to an object, an inseparable part of protein elasticity in vivo and in experimental setups, greatly reduces the attempt frequency with which the protein samples its free energy. Indeed, our data shows that a tethered polypeptide can traverse its free-energy landscape with a surprisingly low effective diffusion coefficient Deff ∼ 1,200 nm2/s. By contrast, our Molecular Dynamics simulations show that diffusion of an isolated protein under force occurs at Deff ∼ 108 nm2/s. This discrepancy is attributed to the drag force caused by the tethering object. From the physiological time scales of tissue elasticity, we calculate that tethered elastic proteins equilibrate in vivo with Deff ∼ 104–106 nm2/s which is two to four orders magnitude smaller than the values measured for untethered proteins in bulk. PMID:22895787

  14. Metal nanoplates: Smaller is weaker due to failure by elastic instability

    NASA Astrophysics Data System (ADS)

    Ho, Duc Tam; Kwon, Soon-Yong; Park, Harold S.; Kim, Sung Youb

    2017-11-01

    Under mechanical loading, crystalline solids deform elastically, and subsequently yield and fail via plastic deformation. Thus crystalline materials experience two mechanical regimes: elasticity and plasticity. Here, we provide numerical and theoretical evidence to show that metal nanoplates exhibit an intermediate mechanical regime that occurs between elasticity and plasticity, which we call the elastic instability regime. The elastic instability regime begins with a decrease in stress, during which the nanoplates fail via global, and not local, deformation mechanisms that are distinctly different from traditional dislocation-mediated plasticity. Because the nanoplates fail via elastic instability, the governing strength criterion is the ideal strength, rather than the yield strength, and as a result, we observe a unique "smaller is weaker" trend. We develop a simple surface-stress-based analytic model to predict the ideal strength of the metal nanoplates, which accurately reproduces the smaller is weaker behavior observed in the atomistic simulations.

  15. Negative refraction of elastic waves at the deep-subwavelength scale in a single-phase metamaterial.

    PubMed

    Zhu, R; Liu, X N; Hu, G K; Sun, C T; Huang, G L

    2014-11-24

    Negative refraction of elastic waves has been studied and experimentally demonstrated in three- and two-dimensional phononic crystals, but Bragg scattering is impractical for low-frequency wave control because of the need to scale the structures to manageable sizes. Here we present an elastic metamaterial with chiral microstructure made of a single-phase solid material that aims to achieve subwavelength negative refraction of elastic waves. Both negative effective mass density and modulus are observed owing to simultaneous translational and rotational resonances. We experimentally demonstrate negative refraction of the longitudinal elastic wave at the deep-subwavelength scale in the metamaterial fabricated in a stainless steel plate. The experimental measurements are in good agreement with numerical simulations. Moreover, wave mode conversion related with negative refraction is revealed and discussed. The proposed elastic metamaterial may thus be used as a flat lens for elastic wave focusing.

  16. Cyclic Deformation-Induced Solute Transport in Tissue Scaffolds with Computer Designed, Interconnected, Pore Networks: Experiments and Simulations

    PubMed Central

    Op Den Buijs, Jorn; Dragomir-Daescu, Dan; Ritman, Erik L.

    2014-01-01

    Nutrient supply and waste removal in porous tissue engineering scaffolds decrease from the periphery to the center, leading to limited depth of ingrowth of new tissue into the scaffold. However, as many tissues experience cyclic physiological strains, this may provide a mechanism to enhance solute transport in vivo before vascularization of the scaffold. The hypothesis of this study was that pore cross-sectional geometry and interconnectivity are of major importance for the effectiveness of cyclic deformation-induced solute transport. Transparent elastic polyurethane scaffolds, with computer-programmed design of pore networks in the form of interconnected channels, were fabricated using a 3D printing and injection molding technique. The scaffold pores were loaded with a colored tracer for optical contrast, cyclically compressed with deformations of 10 and 15% of the original undeformed height at 1.0 Hz. Digital imaging was used to quantify the spatial distribution of the tracer concentration within the pores. Numerical simulations of a fluid–structure interaction model of deformation-induced solute transport were compared to the experimental data. The results of experiments and modeling agreed well and showed that pore interconnectivity heavily influences deformation-induced solute transport. Pore cross-sectional geometry appears to be of less relative importance in interconnected pore networks. Validated computer models of solute transport can be used to design optimal scaffold pore geometries that will enhance the convective transport of nutrients inside the scaffold and the removal of waste, thus improving the cell survivability deep inside the scaffold. PMID:19466547

  17. Poly(Capro-Lactone) Networks as Actively Moving Polymers

    NASA Astrophysics Data System (ADS)

    Meng, Yuan

    Shape-memory polymers (SMPs), as a subset of actively moving polymers, form an exciting class of materials that can store and recover elastic deformation energy upon application of an external stimulus. Although engineering of SMPs nowadays has lead to robust materials that can memorize multiple temporary shapes, and can be triggered by various stimuli such as heat, light, moisture, or applied magnetic fields, further commercialization of SMPs is still constrained by the material's incapability to store large elastic energy, as well as its inherent one-way shape-change nature. This thesis develops a series of model semi-crystalline shape-memory networks that exhibit ultra-high energy storage capacity, with accurately tunable triggering temperature; by introducing a second competing network, or reconfiguring the existing network under strained state, configurational chain bias can be effectively locked-in, and give rise to two-way shape-actuators that, in the absence of an external load, elongates upon cooling and reversibly contracts upon heating. We found that well-defined network architecture plays essential role on strain-induced crystallization and on the performance of cold-drawn shape-memory polymers. Model networks with uniform molecular weight between crosslinks, and specified functionality of each net-point, results in tougher, more elastic materials with a high degree of crystallinity and outstanding shape-memory properties. The thermal behavior of the model networks can be finely modified by introducing non-crystalline small molecule linkers that effectively frustrates the crystallization of the network strands. This resulted in shape-memory networks that are ultra-sensitive to heat, as deformed materials can be efficiently triggered to revert to its permanent state upon only exposure to body temperature. We also coupled the same reaction adopted to create the model network with conventional free-radical polymerization to prepare a dual-cure "double network" that behaves as a real thermal "actuator". This approach places sub-chains under different degrees of configurational bias within the network to utilize the material's propensity to undergo stress-induced crystallization. Reconfiguration of model shape-memory networks containing photo-sensitive linkages can also be employed to program two-way actuator. Chain reshuffling of a partially reconfigurable network is initiated upon exposure to light under specific strains. Interesting photo-induced creep and stress relaxation behaviors were demonstrated and understood based on a novel transient network model we derived. In summary, delicate manipulation of shape-memory network architectures addressed critical issues constraining the application of this type of functional polymer material. Strategies developed in this thesis may provide new opportunity to the field of shape-memory polymers.

  18. Measuring the nonlinear elastic properties of tissue-like phantoms.

    PubMed

    Erkamp, Ramon Q; Skovoroda, Andrei R; Emelianov, Stanislav Y; O'Donnell, Matthew

    2004-04-01

    A direct mechanical system simultaneously measuring external force and deformation of samples over a wide dynamic range is used to obtain force-displacement curves of tissue-like phantoms under plain strain deformation. These measurements, covering a wide deformation range, then are used to characterize the nonlinear elastic properties of the phantom materials. The model assumes incompressible media, in which several strain energy potentials are considered. Finite-element analysis is used to evaluate the performance of this material characterization procedure. The procedures developed allow calibration of nonlinear elastic phantoms for elasticity imaging experiments and finite-element simulations.

  19. Generation, Analysis and Characterization of Anisotropic Engineered Meta Materials

    NASA Astrophysics Data System (ADS)

    Trifale, Ninad T.

    A methodology for a systematic generation of highly anisotropic micro-lattice structures was investigated. Multiple algorithms for generation and validation of engineered structures are developed and evaluated. Set of all possible permutations of structures for an 8-node cubic unit cell were considered and the degree of anisotropy of meta-properties in heat transport and mechanical elasticity were evaluated. Feasibility checks were performed to ensure that the generated unit cell network was repeatable and a continuous lattice structure. Four different strategies for generating permutations of the structures are discussed. Analytical models were developed to predict effective thermal, mechanical and permeability characteristics of these cellular structures.Experimentation and numerical modeling techniques were used to validate the models that are developed. A self-consistent mechanical elasticity model was developed which connects the meso-scale properties to stiffness of individual struts. A three dimensional thermal resistance network analogy was used to evaluate the effective thermal conductivity of the structures. The struts were modeled as a network of one dimensional thermal resistive elements and effective conductivity evaluated. Models were validated against numerical simulations and experimental measurements on 3D printed samples. Model was developed to predict effective permeability of these engineered structures based on Darcy's law. Drag coefficients were evaluated for individual connections in transverse and longitudinal directions and an interaction term was calibrated from the experimental data in literature in order to predict permeability. Generic optimization framework coupled to finite element solver is developed for analyzing any application involving use of porous structures. An objective functions were generated structure to address frequently observed trade-off between the stiffness, thermal conductivity, permeability and porosity. Three application were analyzed for potential use of engineered materials. Heat spreader application involving thermal and mechanical constraints, artificial bone grafts application involving mechanical and permeability constraints and structural materials applications involving mechanical, thermal and porosity constraints is analyzed. Recommendations for optimum topologies for specific operating conditions are provided.

  20. pH induced contrast in viscoelasticity imaging of biopolymers

    PubMed Central

    Yapp, R D; Insana, M F

    2009-01-01

    Understanding contrast mechanisms and identifying discriminating features is at the heart of diagnostic imaging development. This report focuses on how pH influences the viscoelastic properties of biopolymers to better understand the effects of extracellular pH on breast tumour elasticity imaging. Extracellular pH is known to decrease as much as 1 pH unit in breast tumours, thus creating a dangerous environment that increases cellular mutatation rates and therapeutic resistance. We used a gelatin hydrogel phantom to isolate the effects of pH on a polymer network with similarities to the extracellular matrix in breast stroma. Using compressive unconfined creep and stress relaxation measurements, we systematically measured the viscoelastic features sensitive to pH by way of time domain models and complex modulus analysis. These results are used to determine the sensitivity of quasi-static ultrasonic elasticity imaging to pH. We found a strong elastic response of the polymer network to pH, such that the matrix stiffness decreases as pH was reduced, however the viscous response of the medium to pH was negligible. While physiological features of breast stroma such as proteoglycans and vascular networks are not included in our hydrogel model, observations in this study provide insight into viscoelastic features specific to pH changes in the collagenous stromal network. These observations suggest that the large contrast common in breast tumours with desmoplasia may be reduced under acidic conditions, and that viscoelastic features are unlikely to improve discriminability. PMID:19174599

  1. Towards a carrier SDN: an example for elastic inter-datacenter connectivity.

    PubMed

    Velasco, L; Asensio, A; Berral, J L; Castro, A; López, V

    2014-01-13

    We propose a network-driven transfer mode for cloud operations in a step towards a carrier SDN. Inter-datacenter connectivity is requested in terms of volume of data and completion time. The SDN controller translates and forwards requests to an ABNO controller in charge of a flexgrid network.

  2. Enhanced calculation of eigen-stress field and elastic energy in atomistic interdiffusion of alloys

    NASA Astrophysics Data System (ADS)

    Cecilia, José M.; Hernández-Díaz, A. M.; Castrillo, Pedro; Jiménez-Alonso, J. F.

    2017-02-01

    The structural evolution of alloys is affected by the elastic energy associated to eigen-stress fields. However, efficient calculations of the elastic energy in evolving geometries are actually a great challenge in promising atomistic simulation techniques such as Kinetic Monte Carlo (KMC) methods. In this paper, we report two complementary algorithms to calculate the eigen-stress field by linear superposition (a.k.a. LSA, Lineal Superposition Algorithm) and the elastic energy modification in atomistic interdiffusion of alloys (the Atom Exchange Elastic Energy Evaluation (AE4) Algorithm). LSA is shown to be appropriated for fast incremental stress calculation in highly nanostructured materials, whereas AE4 provides the required input for KMC and, additionally, it can be used to evaluate the accuracy of the eigen-stress field calculated by LSA. Consequently, they are suitable to be used on-the-fly with KMC. Both algorithms are massively parallel by their definition and thus well-suited for their parallelization on modern Graphics Processing Units (GPUs). Our computational studies confirm that we can obtain significant improvements compared to conventional Finite Element Methods, and the utilization of GPUs opens up new possibilities for the development of these methods in atomistic simulation of materials.

  3. Porogranular materials composed of elastic Helmholtz resonators for acoustic wave absorption.

    PubMed

    Griffiths, Stéphane; Nennig, Benoit; Job, Stéphane

    2017-01-01

    A theoretical and experimental study of the acoustic absorption of granular porous media made of non-cohesive piles of spherical shells is presented. These shells are either rigid or elastic, possibly drilled with a neck (Helmholtz resonators), and either porous or impervious. A description is given of acoustic propagation through these media using the effective medium models proposed by Johnson (rigid particles) and Boutin (rigid Helmholtz resonators), which are extended to the configurations studied in this work. A solution is given for the local equation of elasticity of a shell coupled to the viscous flow of air through the neck and the micropores. The models and the simulations are compared to absorption spectra measured in reflection in an impedance tube. The effective medium models and the measurements show excellent agreement for configurations made of rigid particles and rigid Helmholtz resonators that induce an additional peak of absorption at low frequency. A shift of the Helmholtz resonance toward low frequencies, due to the softness of the shells is revealed by the experiments for elastic shells made of soft elastomer and is well reproduced by the simulations. It is shown that microporous shells enhance and broaden acoustic absorption compared to stiff or elastic resonators.

  4. A methodology to determine the elastic moduli of crystals by matching experimental and simulated lattice strain pole figures using discrete harmonics

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

    Wielewski, Euan; Boyce, Donald E.; Park, Jun-Sang

    Determining reliable single crystal material parameters for complex polycrystalline materials is a significant challenge for the materials community. In this work, a novel methodology for determining those parameters is outlined and successfully applied to the titanium alloy, Ti-6Al-4V. Utilizing the results from a lattice strain pole figure experiment conducted at the Cornell High Energy Synchrotron Source, an iterative approach is used to optimize the single crystal elastic moduli by comparing experimental and simulated lattice strain pole figures at discrete load steps during a uniaxial tensile test. Due to the large number of unique measurements taken during the experiments, comparisons weremore » made by using the discrete spherical harmonic modes of both the experimental and simulated lattice strain pole figures, allowing the complete pole figures to be used to determine the single crystal elastic moduli. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.« less

  5. Numerical simulations of SHPB experiments for the dynamic compressive strength and failure of ceramics

    NASA Astrophysics Data System (ADS)

    Anderson, Charles E., Jr.; O'Donoghue, Padraic E.; Lankford, James; Walker, James D.

    1992-06-01

    Complementary to a study of the compressive strength of ceramic as a function of strain rate and confinement, numerical simulations of the split-Hopkinson pressure bar (SHPB) experiments have been performed using the two-dimensional wave propagation computer program HEMP. The numerical effort had two main thrusts. Firstly, the interpretation of the experimental data relies on several assumptions. The numerical simulations were used to investigate the validity of these assumptions. The second part of the effort focused on computing the idealized constitutive response of a ceramic within the SHPB experiment. These numerical results were then compared against experimental data. Idealized models examined included a perfectly elastic material, an elastic-perfectly plastic material, and an elastic material with failure. Post-failure material was modeled as having either no strength, or a strength proportional to the mean stress. The effects of confinement were also studied. Conclusions concerning the dynamic behavior of a ceramic up to and after failure are drawn from the numerical study.

  6. The flow of power law fluids in elastic networks and porous media.

    PubMed

    Sochi, Taha

    2016-02-01

    The flow of power law fluids, which include shear thinning and shear thickening as well as Newtonian as a special case, in networks of interconnected elastic tubes is investigated using a residual-based pore scale network modeling method with the employment of newly derived formulae. Two relations describing the mechanical interaction between the local pressure and local cross-sectional area in distensible tubes of elastic nature are considered in the derivation of these formulae. The model can be used to describe shear dependent flows of mainly viscous nature. The behavior of the proposed model is vindicated by several tests in a number of special and limiting cases where the results can be verified quantitatively or qualitatively. The model, which is the first of its kind, incorporates more than one major nonlinearity corresponding to the fluid rheology and conduit mechanical properties, that is non-Newtonian effects and tube distensibility. The formulation, implementation, and performance indicate that the model enjoys certain advantages over the existing models such as being exact within the restricting assumptions on which the model is based, easy implementation, low computational costs, reliability, and smooth convergence. The proposed model can, therefore, be used as an alternative to the existing Newtonian distensible models; moreover, it stretches the capabilities of the existing modeling approaches to reach non-Newtonian rheologies.

  7. Superhard BC(3) in cubic diamond structure.

    PubMed

    Zhang, Miao; Liu, Hanyu; Li, Quan; Gao, Bo; Wang, Yanchao; Li, Hongdong; Chen, Changfeng; Ma, Yanming

    2015-01-09

    We solve the crystal structure of recently synthesized cubic BC(3) using an unbiased swarm structure search, which identifies a highly symmetric BC(3) phase in the cubic diamond structure (d-BC(3)) that contains a distinct B-B bonding network along the body diagonals of a large 64-atom unit cell. Simulated x-ray diffraction and Raman peaks of d-BC(3) are in excellent agreement with experimental data. Calculated stress-strain relations of d-BC(3) demonstrate its intrinsic superhard nature and reveal intriguing sequential bond-breaking modes that produce superior ductility and extended elasticity, which are unique among superhard solids. The present results establish the first boron carbide in the cubic diamond structure with remarkable properties, and these new findings also provide insights for exploring other covalent solids with complex bonding configurations.

  8. Engineering molecular machines

    NASA Astrophysics Data System (ADS)

    Erman, Burak

    2016-04-01

    Biological molecular motors use chemical energy, mostly in the form of ATP hydrolysis, and convert it to mechanical energy. Correlated thermal fluctuations are essential for the function of a molecular machine and it is the hydrolysis of ATP that modifies the correlated fluctuations of the system. Correlations are consequences of the molecular architecture of the protein. The idea that synthetic molecular machines may be constructed by designing the proper molecular architecture is challenging. In their paper, Sarkar et al (2016 New J. Phys. 18 043006) propose a synthetic molecular motor based on the coarse grained elastic network model of proteins and show by numerical simulations that motor function is realized, ranging from deterministic to thermal, depending on temperature. This work opens up a new range of possibilities of molecular architecture based engine design.

  9. Performance evaluation of traveling wave ultrasonic motor based on a model with visco-elastic friction layer on stator.

    PubMed

    Qu, Jianjun; Sun, Fengyan; Zhao, Chunsheng

    2006-12-01

    A new visco-elastic contact model of traveling wave ultrasonic motor (TWUSM) is proposed. In this model, the rotor is assumed to be rigid body and the friction material on stator teeth surface to be visco-elastic body. Both load characteristics of TWUSM, such as rotation speed, torque and efficiency, and effects of interface parameters between stator and rotor on output characteristic of TWUSM can be calculated and simulated numerically by using MATLAB method based on this model. This model is compared with that one of compliant slider and rigid stator. The results show that this model can obtain bigger stall torque. The simulated results are compared with test results, and found that their load characteristics have good agreement.

  10. Hybrid Simulation Modeling to Estimate U.S. Energy Elasticities

    NASA Astrophysics Data System (ADS)

    Baylin-Stern, Adam C.

    This paper demonstrates how an U.S. application of CIMS, a technologically explicit and behaviourally realistic energy-economy simulation model which includes macro-economic feedbacks, can be used to derive estimates of elasticity of substitution (ESUB) and autonomous energy efficiency index (AEEI) parameters. The ability of economies to reduce greenhouse gas emissions depends on the potential for households and industry to decrease overall energy usage, and move from higher to lower emissions fuels. Energy economists commonly refer to ESUB estimates to understand the degree of responsiveness of various sectors of an economy, and use estimates to inform computable general equilibrium models used to study climate policies. Using CIMS, I have generated a set of future, 'pseudo-data' based on a series of simulations in which I vary energy and capital input prices over a wide range. I then used this data set to estimate the parameters for transcendental logarithmic production functions using regression techniques. From the production function parameter estimates, I calculated an array of elasticity of substitution values between input pairs. Additionally, this paper demonstrates how CIMS can be used to calculate price-independent changes in energy-efficiency in the form of the AEEI, by comparing energy consumption between technologically frozen and 'business as usual' simulations. The paper concludes with some ideas for model and methodological improvement, and how these might figure into future work in the estimation of ESUBs from CIMS. Keywords: Elasticity of substitution; hybrid energy-economy model; translog; autonomous energy efficiency index; rebound effect; fuel switching.

  11. Effect of emulsifier type and concentration, aqueous phase volume and wax ratio on physical, material and mechanical properties of water in oil lipsticks.

    PubMed

    Beri, A; Norton, J E; Norton, I T

    2013-12-01

    Water-in-oil emulsions in lipsticks could have the potential to improve moisturizing properties and deliver hydrophilic molecules to the lips. The aims of this work were (i) to investigate the effect of emulsifier type (polymer vs. monomer, and saturated vs. unsaturated chain) and concentration on droplet size and (ii) to investigate the effect of wax ratio (carnauba wax, microcrystalline wax, paraffin wax and performalene) and aqueous phase volume on material properties (Young's modulus, point of fracture, elastic modulus and viscous modulus). Emulsion formation was achieved using a high shear mixer. Results showed that the saturated nature of the emulsifier had very little effect on droplet size, neither did the use of an emulsifier with a larger head group (droplet size ~18-25 μm). Polyglycerol polyricinoleate (PGPR) resulted in emulsions with the smallest droplets (~3-5 μm), as expected from previous studies that show that it produces a thick elastic interface. The results also showed that both Young's modulus and point of fracture increase with increasing percentage of carnauba wax (following a power law dependency of 3), but decrease with increasing percentage of microcrystalline wax, suggesting that the carnauba wax is included in the overall wax network formed by the saturated components, whereas the microcrystalline wax forms irregular crystals that disrupt the overall wax crystal network. Young's modulus, elastic modulus and viscous modulus all decrease with increasing aqueous phase volume in the emulsions, although the slope of the decrease in elastic and viscous moduli is dependent on the addition of solid wax, as a result of strengthening the network. This work suggests the potential use for emulsions in lipstick applications, particularly when PGPR is used as an emulsifier, and with the addition of solid wax, as it increases network strength. © 2013 Society of Cosmetic Scientists and the Société Française de Cosmétologie.

  12. The Sedimentation of Particles under Orthogonal Shear in Viscoelastic Fluids

    NASA Astrophysics Data System (ADS)

    Murch, William L.; Krishnan, Sreenath; Shaqfeh, Eric S. G.

    2016-11-01

    Many engineering applications, including oil and gas recovery, require the suspension of particles in viscoelastic fluids during fluid transport and processing. A topic of specific importance involves such particle suspensions experiencing an applied shear flow in a direction perpendicular to gravity (referred to as orthogonal shear). Previously, it has been shown that particle sedimentation coupled with an orthogonal shear flow can reduce the particle settling rate in elastic fluids. The underlying mechanism of this enhanced coupling drag is not fully understood, particularly at finite Weissenberg numbers. This talk examines the role of fluid elasticity on a single, non-Brownian, rigid sphere settling in orthogonal shear using experiments and numerical simulations. New experiments were performed in a Taylor-Couette flow cell using Boger fluids to study the coupling drag as a function of the shear and sedimentation Weissenberg numbers as well as particle confinement. The elastic effect was also studied with fully 3D simulations of flow past a rigid sphere, using the FENE-P constitutive model to describe the polymeric fluid rheology. These simulations show good agreement with the experiments and allow for further insight into the mechanism of elasticity-enhanced drag. This material is based upon work supported by the National Science Foundation Graduate Research Fellowship.

  13. Intrinsically Disordered Titin PEVK as a Molecular Velcro: Salt-Bridge Dynamics and Elasticity

    NASA Astrophysics Data System (ADS)

    Forbes, Jeffrey; Tsai, Wanxia; Wittebort, Richard; Wang, Kuan

    2009-03-01

    Titin is a giant modular protein (3-4 MDa) found in the muscle sarcomere, where the intrinsically disordered and elastic PEVK segment plays a major role in the passive tension of skeletal and heart tissues. We have proposed that salt-bridges play a central role in the elasticity of PEVK. The 50 kDa engineered PEVK polyprotein shows well-resolved NMR spectra at all concentrations. From long-range NOE's, we observed stable K to E salt-bridges. Simulated annealing with NMR restraints yielded a manifold of structures for an exon 172 trimer. Steered molecular dynamics simulations were done to study how the manifold of salt-bridges evolves during the stretching experiment. Repeated SMD simulations at slow velocity (0.0005 nm/ps) showed force spectra consistent with experimental AFM force spectra of the polyprotein. SMD shows that salt-bridges occur even at high degrees of stretch and that these short range interactions are in integral part of the mechanical properties of PEVK. We propose that the long-range, non-stereospecific nature of electrostatic interactions provide a facile mechanism to tether and untether the flexible chains, which in turn affect elasticity as well as control the accessibility of protein-protein interaction to these nanogel-like proteins.

  14. Microstructural dependence on relevant physical-mechanical properties on SiO2-Na2O-CaO-P2O5 biological glasses.

    PubMed

    Rajendran, V; Begum, A Nishara; Azooz, M A; el Batal, F H

    2002-11-01

    Bioactive glasses of the system SiO2-Na2O-CaO-P2O5 have been prepared by the normal melting and annealing technique. The elastic moduli, attenuation, Vickers hardness, fracture toughness and fracture surface energy have been obtained using the known method at room temperature. The temperature dependence of elastic moduli and attenuation measurements have been extended over a wide range of temperature from 150 to 500 K. The SiO2 content dependence of velocities, attenuation, elastic moduli, and other parameters show an interesting observation at 45 wt% of SiO2 by exhibiting an anomalous behaviour. A linear relation is developed for Tg, which explores the influence of Na2O on SiO2-Na2O-CaO-P2O5 bioactive glasses. The measured hardness, fracture toughness and fracture surface energy show a linear relation with Young's modulus. It is also interesting to note that the observed results are functions of polymerisation and the number of non-bridging oxygens (NBO) prevailing in the network with change in SiO2 content. The temperature dependence of velocities, attenuation and elastic moduli show the existence of softening in the glass network structure as temperature increases.

  15. The role of pressure in rubber elasticity

    NASA Astrophysics Data System (ADS)

    Bower, A. F.; Weiner, J. H.

    2004-06-01

    We describe a series of molecular dynamics computations that reveal an intimate connection at the atomic scale between difference stress (which resists stretches) and pressure (which resists volume changes) in an idealized elastomer, in contrast to the classical theory of rubber elasticity. Our simulations idealize the elastomer as a "pearl necklace," in which the covalent bonds are stiff linear springs, while nonbonded atoms interact through a Lennard-Jones potential with energy εLJ and radius σLJ. We calculate the difference stress t11-(t22+t33)/2 and mean stress (t11+t22+t33)/3 induced by a constant volume extension in the x1 direction, as a function of temperature T and reduced density ρ*=NσIJ3/ν. Here, N is the number of atoms in the simulation cell and ν is the cell volume. Results show that for ρ*<1, the difference stress is purely entropic and is in good agreement with the classical affine network model of rubber elasticity, which neglects nonbonded interactions. However, data presented by van Krevelen [Properties of Polymers, 3rd ed. (Elsevier, Amsterdam, 1990), p. 79] indicate that rubber at standard conditions corresponds to ρ*=1.2. For ρ*>1, the system is entropic for kT/εLJ>2, but at lower temperatures the difference stress contains an additional energy component, which increases as ρ* increases and temperature decreases. Finally, the model exhibits a glass transition for ρ*=1.2 and kT/εLJ≈2. The atomic-scale processes responsible for generating stress are explored in detail. Simulations demonstrate that the repulsive portion of the Lennard-Jones potential provides a contribution σnbr>0 to the difference stress, the attractive portion provides σnba≈0, while the covalent bonds provide σb<0. In contrast, their respective contributions to the mean stress satisfy Πnbr<0, Πnba>0, and Πb<0. Analytical calculations, together with simulations, demonstrate that mean and difference stresses are related by σnbr=-AΠnbr, σb=BΠb, where is a measure of the anisotropy of the orientation of the covalent bonds, and A and B are coefficients that depend weakly on ρ* and temperature. For high values of ρ*, we find that |σnbr|≫|σb|, and in this regime our model predicts behavior that is in good agreement with experimental data of D.L. Quested et al. [J. Appl. Phys. 52, 5977 (1981)] for the influence of pressure on the difference stress induced by stretching solithane.

  16. Probing the hydrogen equilibrium and kinetics in zeolite imidazolate frameworks via molecular dynamics and quasi-elastic neutron scattering experiments.

    PubMed

    Pantatosaki, Evangelia; Jobic, Hervé; Kolokolov, Daniil I; Karmakar, Shilpi; Biniwale, Rajesh; Papadopoulos, George K

    2013-01-21

    The problem of simulating processes involving equilibria and dynamics of guest sorbates within zeolitic imidazolate frameworks (ZIF) by means of molecular dynamics (MD) computer experiments is of growing importance because of the promising role of ZIFs as molecular "traps" for clean energy applications. A key issue for validating such an atomistic modeling attempt is the possibility of comparing the MD results, with real experiments being able to capture analogous space and time scales to the ones pertained to the computer experiments. In the present study, this prerequisite is fulfilled through the quasi-elastic neutron scattering technique (QENS) for measuring self-diffusivity, by elaborating the incoherent scattering signal of hydrogen nuclei. QENS and MD experiments were performed in parallel to probe the hydrogen motion, for the first time in ZIF members. The predicted and measured dynamics behaviors show considerable concentration variation of the hydrogen self-diffusion coefficient in the two topologically different ZIF pore networks of this study, the ZIF-3 and ZIF-8. Modeling options such as the flexibility of the entire matrix versus a rigid framework version, the mobility of the imidazolate ligand, and the inclusion of quantum mechanical effects in the potential functions were examined in detail for the sorption thermodynamics and kinetics of hydrogen and also of deuterium, by employing MD combined with Widom averaging towards studying phase equilibria. The latter methodology ensures a rigorous and efficient way for post-processing the dynamics trajectory, thereby avoiding stochastic moves via Monte Carlo simulation, over the large number of configurational degrees of freedom a nonrigid framework encompasses.

  17. A parallel interaction potential approach coupled with the immersed boundary method for fully resolved simulations of deformable interfaces and membranes

    NASA Astrophysics Data System (ADS)

    Spandan, Vamsi; Meschini, Valentina; Ostilla-Mónico, Rodolfo; Lohse, Detlef; Querzoli, Giorgio; de Tullio, Marco D.; Verzicco, Roberto

    2017-11-01

    In this paper we show and discuss how the deformation dynamics of closed liquid-liquid interfaces (for example drops and bubbles) can be replicated with use of a phenomenological interaction potential model. This new approach to simulate liquid-liquid interfaces is based on the fundamental principle of minimum potential energy where the total potential energy depends on the extent of deformation of a spring network distributed on the surface of the immersed drop or bubble. Simulating liquid-liquid interfaces using this model require computing ad-hoc elastic constants which is done through a reverse-engineered approach. The results from our simulations agree very well with previous studies on the deformation of drops in standard flow configurations such as a deforming drop in a shear flow or cross flow. The interaction potential model is highly versatile, computationally efficient and can be easily incorporated into generic single phase fluid solvers to also simulate complex fluid-structure interaction problems. This is shown by simulating flow in the left ventricle of the heart with mechanical and natural mitral valves where the imposed flow, motion of ventricle and valves dynamically govern the behaviour of each other. Results from these simulations are compared with ad-hoc in-house experimental measurements. Finally, we present a simple and easy to implement parallelisation scheme, as high performance computing is unavoidable when studying large scale problems involving several thousands of simultaneously deforming bodies in highly turbulent flows.

  18. Interfacial crowding of nanoplatelets in co-continuous polymer blends: assembly, elasticity and structure of the interfacial nanoparticle network.

    PubMed

    Altobelli, R; Salzano de Luna, M; Filippone, G

    2017-09-27

    The sequence of events which leads to the interfacial crowding of plate-like nanoparticles in co-continuous polymer blends is investigated through a combination of morphological and rheological analyses. Very low amounts (∼0.2 vol%) of organo-modified clay are sufficient to suppress phase coarsening in a co-continuous polystyrene/poly(methyl methacrylate) blend, while lower particle loading allows for a tuning of the characteristic size of the polymer phases at the μm-scale. In any case, an interfacial network of nanoparticles eventually forms, which is driven by the preferred polymer-polymer interface. The elastic features and stress-bearing ability of this peculiar nanoparticle assembly are studied in detail by means of a descriptive two-phase viscoelastic model, which allows isolation of the contribution of the filler network. The role of the co-continuous matrix in driving the space arrangement of the nanoparticles is emphasized by means of comparative analysis with systems based on the same polymers and nanoparticles, but in which the matrix is either a pure polymer or a blend with drop-in-matrix morphology. The relaxation dynamics of the interfacial network was found not to depend on the matrix microstructure, which instead substantially affects the assembly of the nanoplatelets. When the host medium is co-continuous, the particles align along the preferred polymer-polymer interface, percolating at a very low amount (∼0.17 vol%) and prevalently interacting edge-to-edge. The stress bearing ability of such a network is much higher than that in the case of matrix based on a homogeneous polymer or a drop-in-matrix blend, but its elasticity shows low sensitivity to the filler content.

  19. Confocal microscopy for automatic texture analysis of elastic fibers in histologic preparations

    NASA Astrophysics Data System (ADS)

    Adam, R. L.; Vieira, G.; Ferro, D. P.; de Thomaz, A. A.; Cesar, C., L.; Metze, K.

    2009-07-01

    Elastic fibers are an important component of many organs and tissues, such as skin, lungs, arteries, ligaments, intervertebral discs and cartilage Their function is to endow tissues with elastic recoil and resilience, to act as an important adhesion template for cells, and to regulate growth factor availability (1,2). Loss or remodeling of the elastic fiber texture occurs in many diseases. Degeneration and fragmentation of elastic fibers and aging are intimately related (3). Recently, the importance of elastin for the study of malignant tumor progression has been emphasized (4,5). Elastic tissue may be a significant reservoir of angiostatic molecules and soluble elastin as well as elastin peptides, that are inhibitors of the metastatic process in experimental tumor models (4). Elastic fibers are involved in the anatomic remodeling of chronic pulmonary diseases (6) and, especially, of diseases of the arterial wall (7, 8). The study of these phenomena is important for the understanding of the pathophysiologic basis of the diseases. Recently the role of elastic fibers in small diameter vascular graft design has been emphasized (2). The possibility to regenerate or engineer elastic fibres and tissues creates an important challenge, not only to understand the molecular basis of elastic-fibre biology (1,2), but also of its spatial arrangement and remodeling in the diseased tissues. Subtle changes of the complex elastic fiber network may be involved in the pathogenesis of diseases. Therefore a precise and objective histopathologic description is necessary.

  20. Systematic methods for defining coarse-grained maps in large biomolecules.

    PubMed

    Zhang, Zhiyong

    2015-01-01

    Large biomolecules are involved in many important biological processes. It would be difficult to use large-scale atomistic molecular dynamics (MD) simulations to study the functional motions of these systems because of the computational expense. Therefore various coarse-grained (CG) approaches have attracted rapidly growing interest, which enable simulations of large biomolecules over longer effective timescales than all-atom MD simulations. The first issue in CG modeling is to construct CG maps from atomic structures. In this chapter, we review the recent development of a novel and systematic method for constructing CG representations of arbitrarily complex biomolecules, in order to preserve large-scale and functionally relevant essential dynamics (ED) at the CG level. In this ED-CG scheme, the essential dynamics can be characterized by principal component analysis (PCA) on a structural ensemble, or elastic network model (ENM) of a single atomic structure. Validation and applications of the method cover various biological systems, such as multi-domain proteins, protein complexes, and even biomolecular machines. The results demonstrate that the ED-CG method may serve as a very useful tool for identifying functional dynamics of large biomolecules at the CG level.

  1. ClustENM: ENM-Based Sampling of Essential Conformational Space at Full Atomic Resolution

    PubMed Central

    Kurkcuoglu, Zeynep; Bahar, Ivet; Doruker, Pemra

    2016-01-01

    Accurate sampling of conformational space and, in particular, the transitions between functional substates has been a challenge in molecular dynamic (MD) simulations of large biomolecular systems. We developed an Elastic Network Model (ENM)-based computational method, ClustENM, for sampling large conformational changes of biomolecules with various sizes and oligomerization states. ClustENM is an iterative method that combines ENM with energy minimization and clustering steps. It is an unbiased technique, which requires only an initial structure as input, and no information about the target conformation. To test the performance of ClustENM, we applied it to six biomolecular systems: adenylate kinase (AK), calmodulin, p38 MAP kinase, HIV-1 reverse transcriptase (RT), triosephosphate isomerase (TIM), and the 70S ribosomal complex. The generated ensembles of conformers determined at atomic resolution show good agreement with experimental data (979 structures resolved by X-ray and/or NMR) and encompass the subspaces covered in independent MD simulations for TIM, p38, and RT. ClustENM emerges as a computationally efficient tool for characterizing the conformational space of large systems at atomic detail, in addition to generating a representative ensemble of conformers that can be advantageously used in simulating substrate/ligand-binding events. PMID:27494296

  2. Compaction-Based Deformable Terrain Model as an Interface for Real-Time Vehicle Dynamics Simulations

    DTIC Science & Technology

    2013-04-16

    to vehicular loads, and the resulting visco-elastic-plastic stress/strain on the affected soil volume. Pedo transfer functions allow for the...resulting visco-elastic-plastic stress/strain on the affected soil volume. Pedo transfer functions allow for the calculation of the soil mechanics model

  3. University of Maryland MRSEC - Research: Seed 3

    Science.gov Websites

    MRSEC Templates Opportunities Search Home » Research » Seed 3 Seed 3: Modeling Elastic Effects on controlling parameters and variables include temperature, deposition flux, external electric field and elastic simulating the effects of these controlling factors often lead to predictions that guide future experiments

  4. Searching for the light-element candidate of the Earth's inner core

    NASA Astrophysics Data System (ADS)

    Li, Y.; Vocadlo, L.; Brodholt, J. P.; Wood, I. G.

    2016-12-01

    The mismatch between the seismic observations of the Earth's inner core and observations from mineral physics (Vočadlo, 2007; Vočadlo et al., 2009; Belonoshko et al., 2007; Martorell et al., 2013) questions the basic structure of the core and also makes it more difficult to understand its other complex characteristics. The premelting elastic softening predicted in hcp Fe under inner core conditions gives a match with seismic wave velocities, but clearly the density is too high (Martorell et al., 2013); in addition, the origin of such premelting softening is not clear. Using ab-initio based simulation techniques, we have studied the structures and elastic properties of Fe alloys and compounds with C and Si that are strongly relevant to the inner core. The densities and elastic constants were obtained up to melting under inner core pressures. The premelting elastic softening observed in hcp Fe was also observed in materials like Fe7C3, and was found to be correlated with the partial weakening of the bonding network, but the density of Fe7C3 is too low to match that of the inner core. However, the density and elastic properties from calculations on the Fe-Si-C ternary alloy were found to be very close to the seismic observations of the core, suggesting that it may, finally, be possible to report a core composition which is fully matched with seismology. Belonoshko, A. B., Skorodumova, N. V., Davis, S., Osiptsov, A. N., Rosengren, A., Johansson, B., (2007). Science 316 (5831), 1603-1605. Vočadlo, L., (2007). Earth. Planet. Sci. Lett., 254 (1), 227-232. Vočadlo, L., Brodholt, J., Dobson, D.P., Knight, K., Marshall, W., Price, G.D., Wood, I.G. (2002). Earth. Planet. Sci. Lett., 203 (1) 567-575. Vočadlo, L., Dobson, D. P., Wood, I. G., (2009). Earth. Planet. Sci. Lett., 288 (3), 534-538. Martorell, B., Vočadlo, L., Brodholt, J., Wood, I. G., (2013b). Science 342 (6157), 466-468.

  5. Elastic Model Transitions: A Hybrid Approach Utilizing Quadratic Inequality Constrained Least Squares (LSQI) and Direct Shape Mapping (DSM)

    NASA Technical Reports Server (NTRS)

    Hannan, Mike R.; Jurenko, Robert J.; Bush, Jason; Ottander, John

    2014-01-01

    A method for transitioning linear time invariant (LTI) models in time varying simulation is proposed that utilizes a hybrid approach for determining physical displacements by augmenting the original quadratically constrained least squares (LSQI) algorithm with Direct Shape Mapping (DSM) and modifying the energy constraints. The approach presented is applicable to simulation of the elastic behavior of launch vehicles and other structures that utilize discrete LTI finite element model (FEM) derived mode sets (eigenvalues and eigenvectors) that are propagated throughout time. The time invariant nature of the elastic data presents a problem of how to properly transition elastic states from the prior to the new model while preserving motion across the transition and ensuring there is no truncation or excitation of the system. A previous approach utilizes a LSQI algorithm with an energy constraint to effect smooth transitions between eigenvector sets with no requirement that the models be of similar dimension or have any correlation. This approach assumes energy is conserved across the transition, which results in significant non-physical transients due to changing quasi-steady state energy between mode sets, a phenomenon seen when utilizing a truncated mode set. The computational burden of simulating a full mode set is significant so a subset of modes is often selected to reduce run time. As a result of this truncation, energy between mode sets may not be constant and solutions across transitions could produce non-physical transients. In an effort to abate these transients an improved methodology was developed based on the aforementioned approach, but this new approach can handle significant changes in energy across mode set transitions. It is proposed that physical velocities due to elastic behavior be solved for using the LSQI algorithm, but solve for displacements using a two-step process that independently addresses the quasi-steady-state and non-steady-state contributions to the elastic displacement. For structures subject to large external forces, such as thrust or atmospheric drag, it is imperative to capture these forces when solving for elastic displacement. To simplify the mathematical formulation, assumptions are made regarding mass matrix normalization, constant external forcing, and constant viscous damping. These simplifications allow for direct solutions to the quasi-steady-state displacements through a process titled Direct Shape Mapping. DSM solves for the displacements using the eigenvalues of the elastic modes and the external forcing and returns a set of elastic displacements dictated by the eigenvectors of the post-transition mode set. For the non-steady-state contributions to displacement we formulate a LSQI problem that is constrained by energy of the non-steady state terms. The contributions from the quasi-steady-state and non-steady state solutions are then combined to obtain the physical displacements associated with the new set of eigenvectors. Results for the LSQI-DSM approach show significant reduction/complete removal of transients across mode set transitions while maintaining elastic motion from the prior state. For time propagation applications employing discrete elastic models that need to be transitioned in time and where running with full a full mode set is not feasible, the method developed offers a practical solution to simulating vehicle elasticity.

  6. An overview of the DII-HEP OpenStack based CMS data analysis

    NASA Astrophysics Data System (ADS)

    Osmani, L.; Tarkoma, S.; Eerola, P.; Komu, M.; Kortelainen, M. J.; Kraemer, O.; Lindén, T.; Toor, S.; White, J.

    2015-05-01

    An OpenStack based private cloud with the Cluster File System has been built and used with both CMS analysis and Monte Carlo simulation jobs in the Datacenter Indirection Infrastructure for Secure High Energy Physics (DII-HEP) project. On the cloud we run the ARC middleware that allows running CMS applications without changes on the job submission side. Our test results indicate that the adopted approach provides a scalable and resilient solution for managing resources without compromising on performance and high availability. To manage the virtual machines (VM) dynamically in an elastic fasion, we are testing the EMI authorization service (Argus) and the Execution Environment Service (Argus-EES). An OpenStackplugin has been developed for Argus-EES. The Host Identity Protocol (HIP) has been designed for mobile networks and it provides a secure method for IP multihoming. HIP separates the end-point identifier and locator role for IP address which increases the network availability for the applications. Our solution leverages HIP for traffic management. This presentation gives an update on the status of the work and our lessons learned in creating an OpenStackbased cloud for HEP.

  7. Linking actin networks and cell membrane via a reaction-diffusion-elastic description of nonlinear filopodia initiation.

    PubMed

    Ben Isaac, Eyal; Manor, Uri; Kachar, Bechara; Yochelis, Arik; Gov, Nir S

    2013-08-01

    Reaction-diffusion models have been used to describe pattern formation on the cellular scale, and traditionally do not include feedback between cellular shape changes and biochemical reactions. We introduce here a distinct reaction-diffusion-elasticity approach: The reaction-diffusion part describes bistability between two actin orientations, coupled to the elastic energy of the cell membrane deformations. This coupling supports spatially localized patterns, even when such solutions do not exist in the uncoupled self-inhibited reaction-diffusion system. We apply this concept to describe the nonlinear (threshold driven) initiation mechanism of actin-based cellular protrusions and provide support by several experimental observations.

  8. Stress fluctuations in fracture networks from theoretical and numerical models

    NASA Astrophysics Data System (ADS)

    Davy, P.; Darcel, C.; Mas Ivars, D.; Le Goc, R.

    2017-12-01

    We analyze the spatial fluctuations of stress in a simple tridimensional model constituted by a population of disc-shaped fractures embedded in an elastic matrix with uniform and isotropic properties. The fluctuations arise from the classical stress enhancement at fracture tips and stress shadowing around fracture centers that are amplified or decreased by the interactions between close-by fractures. The distribution of local stresses is calculated at the elementary mesh scale with the 3DEC numerical program based on the distinct element method. As expected, the stress distributions vary with fracture density, the larger is the density, the wider is the distribution. For freely slipping fractures, it is mainly controlled by the percolation parameter p (i.e., the total volume of spheres surrounding fractures). For stresses smaller than the remote deviatoric stress, the distribution depends only on for the range of density that has been studied. For large stresses, the distribution decreases exponentially when increasing stress, with a characteristic stress that increases with entailing a widening of the stress distribution. We extend the analysis to fractures with plane resistance defined by an elastic shear stiffness ks and a slip Coulomb threshold. A consequence of the fracture plane resistance is to lower the stress perturbation in the surrounding matrix by a factor that depends on the ratio between ks and a fracture-matrix stiffness km mainly dependent on the ratio between Young modulus and fracture size. km is also the ratio between the remote shear stress and the displacement across the fracture plane in the case of freely slipping fractures. A complete analytical derivation of the expressions of the stress perturbations and of the fracture displacements is obtained and checked with numerical simulations. In the limit ks >> km, the stress perturbation tends to 0 and the stress state is spatially uniform. The analysis allows us to quantify the intensity of the stress fluctuations in fractured rocks as a function of both the fracture network characteristics (density and size distribution), and the mechanical properties (fracture shear stiffness vs matrix elastic properties).

  9. GPS Detection of Biot's Slow Wave in the Earth's Crust Triggered by Hurricane Sandy

    NASA Astrophysics Data System (ADS)

    Holt, W. E.; Zhang, J. H.; Blewitt, G.; Yao, Z.

    2017-12-01

    Here we show, using 5-minute GPS data observed in northeast USA around the landfall of Hurricane Sandy of October 29-30, 2012, evidence of a highly-attenuated wave propagating in the Earth's crust over hundreds of km inland at 65 m/s with peak amplitudes as great as 12 cm. Such a phenomenon is consistent with Biot's slow wave being triggered by the associated 4-m storm surge, then propagating in a highly permeable crust with abundant fluid-saturated interconnected cracks. The vertical displacement field recorded on a dense network of continuous GPS stations (CORS network) shows strong attenuation with distance, and occurs at frequencies too low to be recorded by broad-band seismic sensors. To our knowledge, such a unique wave, with ultra-low frequency, slow wave speed, high amplitude, and strong attenuation, has never been measured before. The zenith tropospheric varies slowly over the 24 hours that bracket Hurricane Sandy landfall and there is no apparent relationship to the timing or duration of the downward displacement field that initiates during peak storm surge loading. Amplitudes are a factor of 10 higher than predicted by elastic models of static loading of the 4-m storm surge. Numerical simulations of a low frequency impulse (with duration of storm surge loading) on a homogenous porous medium filled with viscous fluid show an amplification of displacements 10 times larger than for a homogeneous elastic material with the same elastic properties as the poroelastic matrix. The low wave speed of 65 m/s and long period of 4 hours, requires an extremely high permeability (10-6 10-8 m2). Such a high permeability can exist in high-porosity media containing vast interconnected fractures. The high amplitude displacements generated by the dynamic influences of Hurricane Sandy, and other large magnitude storms, would generate significant time-dependent stress changes in the crust that might contribute to the observations of seismicity rate changes and slow slip phenomenon described previously for this and other major storm disturbances.

  10. Stochastic simulation of human pulmonary blood flow and transit time frequency distribution based on anatomic and elasticity data.

    PubMed

    Huang, Wei; Shi, Jun; Yen, R T

    2012-12-01

    The objective of our study was to develop a computing program for computing the transit time frequency distributions of red blood cell in human pulmonary circulation, based on our anatomic and elasticity data of blood vessels in human lung. A stochastic simulation model was introduced to simulate blood flow in human pulmonary circulation. In the stochastic simulation model, the connectivity data of pulmonary blood vessels in human lung was converted into a probability matrix. Based on this model, the transit time of red blood cell in human pulmonary circulation and the output blood pressure were studied. Additionally, the stochastic simulation model can be used to predict the changes of blood flow in human pulmonary circulation with the advantage of the lower computing cost and the higher flexibility. In conclusion, a stochastic simulation approach was introduced to simulate the blood flow in the hierarchical structure of a pulmonary circulation system, and to calculate the transit time distributions and the blood pressure outputs.

  11. Spectral-element simulation of two-dimensional elastic wave propagation in fully heterogeneous media on a GPU cluster

    NASA Astrophysics Data System (ADS)

    Rudianto, Indra; Sudarmaji

    2018-04-01

    We present an implementation of the spectral-element method for simulation of two-dimensional elastic wave propagation in fully heterogeneous media. We have incorporated most of realistic geological features in the model, including surface topography, curved layer interfaces, and 2-D wave-speed heterogeneity. To accommodate such complexity, we use an unstructured quadrilateral meshing technique. Simulation was performed on a GPU cluster, which consists of 24 core processors Intel Xeon CPU and 4 NVIDIA Quadro graphics cards using CUDA and MPI implementation. We speed up the computation by a factor of about 5 compared to MPI only, and by a factor of about 40 compared to Serial implementation.

  12. Continuum vs. spring network models of airway-parenchymal interdependence

    PubMed Central

    Ma, Baoshun

    2012-01-01

    The outward tethering forces exerted by the lung parenchyma on the airways embedded within it are potent modulators of the ability of the airway smooth muscle to shorten. Much of our understanding of these tethering forces is based on treating the parenchyma as an elastic continuum; yet, on a small enough scale, the lung parenchyma in two dimensions would seem to be more appropriately described as a discrete spring network. We therefore compared how the forces and displacements in the parenchyma surrounding a contracting airway are predicted to differ depending on whether the parenchyma is modeled as an elastic continuum or as a spring network. When the springs were arranged hexagonally to represent alveolar walls, the predicted parenchymal stresses and displacements propagated substantially farther away from the airway than when the springs were arranged in a triangular pattern or when the parenchyma was modeled as a continuum. Thus, to the extent that the parenchyma in vivo behaves as a hexagonal spring network, our results suggest that the range of interdependence forces due to airway contraction may have a greater influence than was previously thought. PMID:22500006

  13. Dynamic analysis of bulk-fill composites: Effect of food-simulating liquids.

    PubMed

    Eweis, Ahmed Hesham; Yap, Adrian U-Jin; Yahya, Noor Azlin

    2017-10-01

    This study investigated the effect of food simulating liquids on visco-elastic properties of bulk-fill restoratives using dynamic mechanical analysis. One conventional composite (Filtek Z350 [FZ]), two bulk-fill composites (Filtek Bulk-fill [FB] and Tetric N Ceram [TN]) and a bulk-fill giomer (Beautifil-Bulk Restorative [BB]) were evaluated. Specimens (12 × 2 × 2mm) were fabricated using customized stainless steel molds. The specimens were light-cured, removed from their molds, finished, measured and randomly divided into six groups. The groups (n = 10) were conditioned in the following mediums for 7 days at 37°C: air (control), artificial saliva (SAGF), distilled water, 0.02N citric acid, heptane, 50% ethanol-water solution. Specimens were assessed using dynamic mechanical testing in flexural three-point bending mode and their respective mediums at 37°C and a frequency range of 0.1-10Hz. The distance between the supports were fixed at 10mm and an axial load of 5N was employed. Data for elastic modulus, viscous modulus and loss tangent were subjected to ANOVA/Tukey's tests at significance level p < 0.05. Significant differences in visco-elastic properties were observed between materials and mediums. Apart from bulk-fill giomer, elastic modulus was the highest after conditioning in heptane. No apparent trends were noted for viscous modulus. Generally, loss tangent was the highest after conditioning in ethanol. The effect of food-simulating liquids on the visco-elastic properties of bulk-fill composites was material and medium dependent. Copyright © 2017 Elsevier Ltd. All rights reserved.

  14. LOXL1 deficiency in the lamina cribrosa as candidate susceptibility factor for a pseudoexfoliation-specific risk of glaucoma.

    PubMed

    Schlötzer-Schrehardt, Ursula; Hammer, Christian M; Krysta, Anita W; Hofmann-Rummelt, Carmen; Pasutto, Francesca; Sasaki, Takako; Kruse, Friedrich E; Zenkel, Matthias

    2012-09-01

    To test the hypothesis that a primary disturbance in lysyl oxidase-like 1 (LOXL1) and elastin metabolism in the lamina cribrosa of eyes with pseudoexfoliation syndrome constitutes an independent risk factor for glaucoma development and progression. Observational, consecutive case series. Posterior segment tissues obtained from 37 donors with early and late stages of pseudoexfoliation syndrome without glaucoma, 37 normal age-matched control subjects, 5 eyes with pseudoexfoliation-associated open-angle glaucoma, and 5 eyes with primary open-angle glaucoma (POAG). Protein and mRNA expression of major elastic fiber components (elastin, fibrillin-1, fibulin-4), collagens (types I, III, and IV), and lysyl oxidase crosslinking enzymes (LOX, LOXL1, LOXL2) were assessed in situ by quantitative real-time polymerase chain reaction, (immuno)histochemistry, and light and electron microscopy. Lysyl oxidase-dependent elastin fiber assembly was assessed by primary optic nerve head astrocytes in vitro. Expression levels of elastic proteins, collagens, and lysyl oxidases in the lamina cribrosa. Lysyl oxidase-like 1 proved to be the major lysyl oxidase isoform in the normal lamina cribrosa in association with a complex elastic fiber network. Compared with normal and POAG specimens, lamina cribrosa tissues obtained from early and late stages of pseudoexfoliation syndrome without and with glaucoma consistently revealed a significant coordinated downregulation of LOXL1 and elastic fiber constituents on mRNA and protein level. In contrast, expression levels of collagens and other lysyl oxidase isoforms were not affected. Dysregulated expression of LOXL1 and elastic proteins was associated with pronounced (ultra)structural alterations of the elastic fiber network in the laminar beams of pseudoexfoliation syndrome eyes. Inhibition of LOXL1 interfered with elastic fiber assembly by optic nerve head astrocytes in vitro. The findings provide evidence for a pseudoexfoliation-specific elastinopathy of the lamina cribrosa resulting from a primary disturbance in LOXL1 regulation and elastic fiber homeostasis, possibly rendering pseudoexfoliation syndrome eyes more vulnerable to pressure-induced optic nerve damage and glaucoma development and progression. Copyright © 2012 American Academy of Ophthalmology. Published by Elsevier Inc. All rights reserved.

  15. Contribution of human skin topography to the characterization of dynamic skin tension during senescence: morpho-mechanical approach

    NASA Astrophysics Data System (ADS)

    Zahouani, H.; Djaghloul, M.; Vargiolu, R.; Mezghani, S.; Mansori, M. E. L.

    2014-03-01

    The structuring of the dermis with a network of collagen and elastic fibres gives a three-dimensional structure to the skin network with directions perpendicular and parallel to the skin surface. This three-dimensional morphology prints on the surface of the stratum corneum a three dimensional network of lines which express the mechanical tension of the skin at rest. To evaluate the changes of skin morphology, we used a three-dimensional confocal microscopy and characterization of skin imaging of volar forearm microrelief. We have accurately characterize the role of skin line network during chronological aging with the identification of depth scales on the network of lines (z <= 60μm) and the network of lines covering Langer's lines (z > 60 microns). During aging has been highlighted lower rows for elastic fibres, the decrease weakened the tension and results in enlargement of the plates of the microrelief, which gives us a geometric pertinent indicator to quantify the loss of skin tension and assess the stage of aging. The study of 120 Caucasian women shows that ageing in the volar forearm zone results in changes in the morphology of the line network organisation. The decrease in secondary lines (z <= 60 μm) is counterbalanced by an increase in the depth of the primary lines (z > 60 μm) and an accentuation of the anisotropy index.

  16. Biologically Derived Soft Conducting Hydrogels Using Heparin-Doped Polymer Networks

    PubMed Central

    2015-01-01

    The emergence of flexible and stretchable electronic components expands the range of applications of electronic devices. Flexible devices are ideally suited for electronic biointerfaces because of mechanically permissive structures that conform to curvilinear structures found in native tissue. Most electronic materials used in these applications exhibit elastic moduli on the order of 0.1–1 MPa. However, many electronically excitable tissues exhibit elasticities in the range of 1–10 kPa, several orders of magnitude smaller than existing components used in flexible devices. This work describes the use of biologically derived heparins as scaffold materials for fabricating networks with hybrid electronic/ionic conductivity and ultracompliant mechanical properties. Photo-cross-linkable heparin–methacrylate hydrogels serve as templates to control the microstructure and doping of in situ polymerized polyaniline structures. Macroscopic heparin-doped polyaniline hydrogel dual networks exhibit impedances as low as Z = 4.17 Ω at 1 kHz and storage moduli of G′ = 900 ± 100 Pa. The conductivity of heparin/polyaniline networks depends on the oxidation state and microstructure of secondary polyaniline networks. Furthermore, heparin/polyaniline networks support the attachment, proliferation, and differentiation of murine myoblasts without any surface treatments. Taken together, these results suggest that heparin/polyaniline hydrogel networks exhibit suitable physical properties as an electronically active biointerface material that can match the mechanical properties of soft tissues composed of excitable cells. PMID:24738911

  17. Kinetic Theories for Biofilms (Preprint)

    DTIC Science & Technology

    2011-01-01

    2011 2. REPORT TYPE 3. DATES COVERED 00-00-2011 to 00-00-2011 4. TITLE AND SUBTITLE Kinetic Theories for Biofilms 5a. CONTRACT NUMBER 5b...binary complex fluids to develop a set of hydrodynamic models for the two-phase mixture of biofilms and solvent (water). It is aimed to model...kinetics along with the intrinsic molecular elasticity of the EPS network strand modeled as an elastic dumbbell. This theory is valid in both the biofilm

  18. Microstructural Origins of Nonlinear Response in Associating Polymers under Oscillatory Shear

    DOE PAGES

    Wilson, Mark A.; Baljon, Arlette R. C.

    2017-10-26

    The response of associating polymers with oscillatory shear is studied through large-scale simulations. A hybrid molecular dynamics (MD), Monte Carlo (MC) algorithm is employed. Polymer chains are modeled as a coarse-grained bead-spring system. Functionalized end groups, at both ends of the polymer chains, can form reversible bonds according to MC rules. Stress-strain curves show nonlinearities indicated by a non-ellipsoidal shape. We consider two types of nonlinearities. Type I occurs at a strain amplitude much larger than one, type II at a frequency at which the elastic storage modulus dominates the viscous loss modulus. In this last case, the network topologymore » resembles that of the system at rest. The reversible bonds are broken and chains stretch when the system moves away from the zero-strain position. For type I, the chains relax and the number of reversible bonds peaks when the system is near an extreme of the motion. During the movement to the other extreme of the cycle, first a stress overshoot occurs, then a yield accompanied by shear-banding. Lastly, the network restructures. Interestingly, the system periodically restores bonds between the same associating groups. Even though major restructuring occurs, the system remembers previous network topologies.« less

  19. Multigranular integrated services optical network

    NASA Astrophysics Data System (ADS)

    Yu, Oliver; Yin, Leping; Xu, Huan; Liao, Ming

    2006-12-01

    Based on all-optical switches without requiring fiber delay lines and optical-electrical-optical interfaces, the multigranular optical switching (MGOS) network integrates three transport services via unified core control to efficiently support bursty and stream traffic of subwavelength to multiwavelength bandwidth. Adaptive robust optical burst switching (AR-OBS) aggregates subwavelength burst traffic into asynchronous light-rate bursts, transported via slotted-time light paths established by fast two-way reservation with robust blocking recovery control. Multiwavelength optical switching (MW-OS) decomposes multiwavelength stream traffic into a group of timing-related light-rate streams, transported via a light-path group to meet end-to-end delay-variation requirements. Optical circuit switching (OCS) simply converts wavelength stream traffic from an electrical-rate into a light-rate stream. The MGOS network employs decoupled routing, wavelength, and time-slot assignment (RWTA) and novel group routing and wavelength assignment (GRWA) to select slotted-time light paths and light-path groups, respectively. The selected resources are reserved by the unified multigranular robust fast optical reservation protocol (MG-RFORP). Simulation results show that elastic traffic is efficiently supported via AR-OBS in terms of loss rate and wavelength utilization, while connection-oriented wavelength traffic is efficiently supported via wavelength-routed OCS in terms of connection blocking and wavelength utilization. The GRWA-tuning result for MW-OS is also shown.

  20. Modeling thermal stress propagation during hydraulic stimulation of geothermal wells

    NASA Astrophysics Data System (ADS)

    Jansen, Gunnar; Miller, Stephen A.

    2017-04-01

    A large fraction of the world's water and energy resources are located in naturally fractured reservoirs within the earth's crust. Depending on the lithology and tectonic history of a formation, fracture networks can range from dense and homogeneous highly fractured networks to single large scale fractures dominating the flow behavior. Understanding the dynamics of such reservoirs in terms of flow and transport is crucial to successful application of engineered geothermal systems (also known as enhanced geothermal systems or EGS) for geothermal energy production in the future. Fractured reservoirs are considered to consist of two distinct separate media, namely the fracture and matrix space respectively. Fractures are generally thin, highly conductive containing only small amounts of fluid, whereas the matrix rock provides high fluid storage but typically has much smaller permeability. Simulation of flow and transport through fractured porous media is challenging due to the high permeability contrast between the fractures and the surrounding rock matrix. However, accurate and efficient simulation of flow through a fracture network is crucial in order to understand, optimize and engineer reservoirs. It has been a research topic for several decades and is still under active research. Accurate fluid flow simulations through field-scale fractured reservoirs are still limited by the power of current computer processing units (CPU). We present an efficient implementation of the embedded discrete fracture model, which is a promising new technique in modeling the behavior of enhanced geothermal systems. An efficient coupling strategy is determined for numerical performance of the model. We provide new insight into the coupled modeling of fluid flow, heat transport of engineered geothermal reservoirs with focus on the thermal stress changes during the stimulation process. We further investigate the interplay of thermal and poro-elastic stress changes in the reservoir. Combined with a analytical formulation for the injection temperatures in the open hole section of a geothermal well, the stress changes induced during the injection period of reservoir development can be studied.

  1. Singularity-free dislocation dynamics with strain gradient elasticity

    NASA Astrophysics Data System (ADS)

    Po, Giacomo; Lazar, Markus; Seif, Dariush; Ghoniem, Nasr

    2014-08-01

    The singular nature of the elastic fields produced by dislocations presents conceptual challenges and computational difficulties in the implementation of discrete dislocation-based models of plasticity. In the context of classical elasticity, attempts to regularize the elastic fields of discrete dislocations encounter intrinsic difficulties. On the other hand, in gradient elasticity, the issue of singularity can be removed at the outset and smooth elastic fields of dislocations are available. In this work we consider theoretical and numerical aspects of the non-singular theory of discrete dislocation loops in gradient elasticity of Helmholtz type, with interest in its applications to three dimensional dislocation dynamics (DD) simulations. The gradient solution is developed and compared to its singular and non-singular counterparts in classical elasticity using the unified framework of eigenstrain theory. The fundamental equations of curved dislocation theory are given as non-singular line integrals suitable for numerical implementation using fast one-dimensional quadrature. These include expressions for the interaction energy between two dislocation loops and the line integral form of the generalized solid angle associated with dislocations having a spread core. The single characteristic length scale of Helmholtz elasticity is determined from independent molecular statics (MS) calculations. The gradient solution is implemented numerically within our variational formulation of DD, with several examples illustrating the viability of the non-singular solution. The displacement field around a dislocation loop is shown to be smooth, and the loop self-energy non-divergent, as expected from atomic configurations of crystalline materials. The loop nucleation energy barrier and its dependence on the applied shear stress are computed and shown to be in good agreement with atomistic calculations. DD simulations of Lome-Cottrell junctions in Al show that the strength of the junction and its configuration are easily obtained, without ad-hoc regularization of the singular fields. Numerical convergence studies related to the implementation of the non-singular theory in DD are presented.

  2. Simulation of Non-Newtonian Emulsion Flows in Microchannels

    NASA Astrophysics Data System (ADS)

    Malanichev, I. V.; Akhmadiev, F. G.

    2015-11-01

    Simulation of emulsion flows in differently shaped microchannels to reproduce the choking of such flows as a result of the effect of dynamic blocking has been made. A model of a highly concentrated emulsion as a structure of tightly packed deformed droplets surrounded by elastic shells is considered. The motion of liquid was determined by the method of the lattice Boltzmann equations together with the immersed boundary method. The influence of the non-Newtonian properties and of elastic turbulence of the indicated emulsion, as well as of the elasticity of the shells of its droplets and of the interaction of these shells on the emulsion motion in a microchannel, has been investigated. It is shown that the flow of this emulsion can be slowed down substantially only due to the mutual attraction of the shells of its droplets.

  3. Distribution of Steps with Finite-Range Interactions: Analytic Approximations and Numerical Results

    NASA Astrophysics Data System (ADS)

    GonzáLez, Diego Luis; Jaramillo, Diego Felipe; TéLlez, Gabriel; Einstein, T. L.

    2013-03-01

    While most Monte Carlo simulations assume only nearest-neighbor steps interact elastically, most analytic frameworks (especially the generalized Wigner distribution) posit that each step elastically repels all others. In addition to the elastic repulsions, we allow for possible surface-state-mediated interactions. We investigate analytically and numerically how next-nearest neighbor (NNN) interactions and, more generally, interactions out to q'th nearest neighbor alter the form of the terrace-width distribution and of pair correlation functions (i.e. the sum over n'th neighbor distribution functions, which we investigated recently.[2] For physically plausible interactions, we find modest changes when NNN interactions are included and generally negligible changes when more distant interactions are allowed. We discuss methods for extracting from simulated experimental data the characteristic scale-setting terms in assumed potential forms.

  4. Three-Dimensional Computer-Assisted Two-Layer Elastic Models of the Face.

    PubMed

    Ueda, Koichi; Shigemura, Yuka; Otsuki, Yuki; Fuse, Asuka; Mitsuno, Daisuke

    2017-11-01

    To make three-dimensional computer-assisted elastic models for the face, we decided on five requirements: (1) an elastic texture like skin and subcutaneous tissue; (2) the ability to take pen marking for incisions; (3) the ability to be cut with a surgical knife; (4) the ability to keep stitches in place for a long time; and (5) a layered structure. After testing many elastic solvents, we have made realistic three-dimensional computer-assisted two-layer elastic models of the face and cleft lip from the computed tomographic and magnetic resonance imaging stereolithographic data. The surface layer is made of polyurethane and the inner layer is silicone. Using this elastic model, we taught residents and young doctors how to make several typical local flaps and to perform cheiloplasty. They could experience realistic simulated surgery and understand three-dimensional movement of the flaps.

  5. Design of graphene nanoparticle undergoing axial compression: quantum study

    NASA Astrophysics Data System (ADS)

    Glukhova, O. E.; Kirillova, I. V.; Saliy, I. N.; Kolesnikova, A. S.; Slepchenkov, M. M.

    2011-03-01

    We report the results of quantum mechanical investigations of the atomic structure and deformations of graphene nanoparticle undergoing axial compression. We applied the tight-binding (TB) method. Our transferable tightbinding potential correctly reproduced tight-binding changes in the electronic configuration as a function of the local bonding geometry around each carbon atom. The tight-binding method applied provided the consideration and calculation of the rehybridization between σ- and π-orbitals. To research nanoribbons using tight-binding potential our own program was used. We adapted TB method to be able to run the algorithm on a parallel computing machine (computer cluster). To simulate axial compression of graphene nanoparticles the atoms on the ends were fixed on the plates. The plates were moved towards each other to decrease the length at some percent. Plane atomic network undergoing axial compression became wave-like. The amplitude of wave and its period were not constant and changed along axis. This is a phase transition. The strain energy collapse occurs at the value of axial compression 0.03-0.04. The strain energy increased up to the quantity compression 0.03, then collapsed sharply and decreased. So according to our theoretical investigation, the elasticity of graphene nanoparticles is more than the elasticity of nanotubes the same width and length. The curvature of the atomic network because of compression will decrease the reactivity of graphene nanoparticles. We have calculated the atomic structure and electronic structure of the compression graphene nanopaticle at each step of strain of axial compression. We have come to the conclusion that the wave-like graphenes adsorbing protein and nucleic acid are the effective nanosensors and bionanosensors.

  6. Random field assessment of nanoscopic inhomogeneity of bone

    PubMed Central

    Dong, X. Neil; Luo, Qing; Sparkman, Daniel M.; Millwater, Harry R.; Wang, Xiaodu

    2010-01-01

    Bone quality is significantly correlated with the inhomogeneous distribution of material and ultrastructural properties (e.g., modulus and mineralization) of the tissue. Current techniques for quantifying inhomogeneity consist of descriptive statistics such as mean, standard deviation and coefficient of variation. However, these parameters do not describe the spatial variations of bone properties. The objective of this study was to develop a novel statistical method to characterize and quantitatively describe the spatial variation of bone properties at ultrastructural levels. To do so, a random field defined by an exponential covariance function was used to present the spatial uncertainty of elastic modulus by delineating the correlation of the modulus at different locations in bone lamellae. The correlation length, a characteristic parameter of the covariance function, was employed to estimate the fluctuation of the elastic modulus in the random field. Using this approach, two distribution maps of the elastic modulus within bone lamellae were generated using simulation and compared with those obtained experimentally by a combination of atomic force microscopy and nanoindentation techniques. The simulation-generated maps of elastic modulus were in close agreement with the experimental ones, thus validating the random field approach in defining the inhomogeneity of elastic modulus in lamellae of bone. Indeed, generation of such random fields will facilitate multi-scale modeling of bone in more pragmatic details. PMID:20817128

  7. Combined distributed and concentrated transducer network for failure indication

    NASA Astrophysics Data System (ADS)

    Ostachowicz, Wieslaw; Wandowski, Tomasz; Malinowski, Pawel

    2010-03-01

    In this paper algorithm for discontinuities localisation in thin panels made of aluminium alloy is presented. Mentioned algorithm uses Lamb wave propagation methods for discontinuities localisation. Elastic waves were generated and received using piezoelectric transducers. They were arranged in concentrated arrays distributed on the specimen surface. In this way almost whole specimen could be monitored using this combined distributed-concentrated transducer network. Excited elastic waves propagate and reflect from panel boundaries and discontinuities existing in the panel. Wave reflection were registered through the piezoelectric transducers and used in signal processing algorithm. Proposed processing algorithm consists of two parts: signal filtering and extraction of obstacles location. The first part was used in order to enhance signals by removing noise from them. Second part allowed to extract features connected with wave reflections from discontinuities. Extracted features damage influence maps were a basis to create damage influence maps. Damage maps indicated intensity of elastic wave reflections which corresponds to obstacles coordinates. Described signal processing algorithms were implemented in the MATLAB environment. It should be underlined that in this work results based only on experimental signals were presented.

  8. A discrete mesoscopic particle model of the mechanics of a multi-constituent arterial wall.

    PubMed

    Witthoft, Alexandra; Yazdani, Alireza; Peng, Zhangli; Bellini, Chiara; Humphrey, Jay D; Karniadakis, George Em

    2016-01-01

    Blood vessels have unique properties that allow them to function together within a complex, self-regulating network. The contractile capacity of the wall combined with complex mechanical properties of the extracellular matrix enables vessels to adapt to changes in haemodynamic loading. Homogenized phenomenological and multi-constituent, structurally motivated continuum models have successfully captured these mechanical properties, but truly describing intricate microstructural details of the arterial wall may require a discrete framework. Such an approach would facilitate modelling interactions between or the separation of layers of the wall and would offer the advantage of seamless integration with discrete models of complex blood flow. We present a discrete particle model of a multi-constituent, nonlinearly elastic, anisotropic arterial wall, which we develop using the dissipative particle dynamics method. Mimicking basic features of the microstructure of the arterial wall, the model comprises an elastin matrix having isotropic nonlinear elastic properties plus anisotropic fibre reinforcement that represents the stiffer collagen fibres of the wall. These collagen fibres are distributed evenly and are oriented in four directions, symmetric to the vessel axis. Experimental results from biaxial mechanical tests of an artery are used for model validation, and a delamination test is simulated to demonstrate the new capabilities of the model. © 2016 The Author(s).

  9. Crystalline cellulose elastic modulus predicted by atomistic models of uniform deformation and nanoscale indentation

    Treesearch

    Xiawa Wu; Robert J. Moon; Ashlie Martini

    2013-01-01

    The elastic modulus of cellulose Iß in the axial and transverse directions was obtained from atomistic simulations using both the standard uniform deformation approach and a complementary approach based on nanoscale indentation. This allowed comparisons between the methods and closer connectivity to experimental measurement techniques. A reactive...

  10. Ice Engineering - study of Related Properties of Floating Sea-Ice Sheets and Summary of Elastic and Viscoelastic Analyses

    DTIC Science & Technology

    1977-12-01

    Ice Plate Example. To demonstrate the capability of the visco- elastic finite-element computer code (5), the structural response of an infinite ... sea -ice plate on a fluid foundation is investigated for a simulated aircraft loading condition and, using relaxation functions, is determined

  11. Learning Qualitative and Quantitative Reasoning in a Microworld for Elastic Impacts.

    ERIC Educational Resources Information Center

    Ploetzner, Rolf; And Others

    1990-01-01

    Discusses the artificial-intelligence-based microworld DiBi and MULEDS, a multilevel diagnosis system. Developed to adapt tutoring style to the individual learner. Explains that DiBi sets up a learning environment, and simulates elastic impacts as a subtopic of classical mechanics, and supporting reasoning on different levels of mental domain…

  12. Multiple scale model for cell migration in monolayers: Elastic mismatch between cells enhances motility

    NASA Astrophysics Data System (ADS)

    Palmieri, Benoit; Bresler, Yony; Wirtz, Denis; Grant, Martin

    2015-07-01

    We propose a multiscale model for monolayer of motile cells that comprise normal and cancer cells. In the model, the two types of cells have identical properties except for their elasticity; cancer cells are softer and normal cells are stiffer. The goal is to isolate the role of elasticity mismatch on the migration potential of cancer cells in the absence of other contributions that are present in real cells. The methodology is based on a phase-field description where each cell is modeled as a highly-deformable self-propelled droplet. We simulated two types of nearly confluent monolayers. One contains a single cancer cell in a layer of normal cells and the other contains normal cells only. The simulation results demonstrate that elasticity mismatch alone is sufficient to increase the motility of the cancer cell significantly. Further, the trajectory of the cancer cell is decorated by several speed “bursts” where the cancer cell quickly relaxes from a largely deformed shape and consequently increases its translational motion. The increased motility and the amplitude and frequency of the bursts are in qualitative agreement with recent experiments.

  13. Elastic properties of dense solid phases of hard cyclic pentamers and heptamers in two dimensions.

    PubMed

    Wojciechowski, K W; Tretiakov, K V; Kowalik, M

    2003-03-01

    Systems of model planar, nonconvex, hard-body "molecules" of fivefold and sevenfold symmetry axes are studied by constant pressure Monte Carlo simulations with variable shape of the periodic box. The molecules, referred to as pentamers (heptamers), are composed of five (seven) identical hard disks "atoms" with centers forming regular pentagons (heptagons) of sides equal to the disk diameter. The elastic compliances of defect-free solid phases are computed by analysis of strain fluctuations and the reference (equilibrium) state is determined within the same run in which the elastic properties are computed. Results obtained by using pseudorandom number generators based on the idea proposed by Holian and co-workers [Holian et al., Phys. Rev. E 50, 1607 (1994)] are in good agreement with the results generated by DRAND48. It is shown that singular behavior of the elastic constants near close packing is in agreement with the free volume approximation; the coefficients of the leading singularities are estimated. The simulations prove that the highest density structures of heptamers (in which the molecules cannot rotate) are auxetic, i.e., show negative Poisson ratios.

  14. Viscoplasticity based on overstress with a differential growth law for the equilibrium stress

    NASA Technical Reports Server (NTRS)

    Krempl, E.; Mcmahon, J. J.; Yao, D.

    1985-01-01

    Two coupled, nonlinear differential equations are proposed for the modeling of the elastic and rate (time) dependent inelastic behavior of structural metals in the absence of recovery and aging. The structure of the model is close to the unified theories but contains essential differences. It is shown that the model reproduces almost elastic regions upon initial loading and in the unloading regions of the hysteresis loop. Under loading, unloading and reloading in strain control the model simulated the experimentally observed sharp transition from nearly elastic to inelastic behavior. When a formulation akin to existing unified theories is adopted the almost elastic regions reduce the points and the transition upon reloading is very gradual. For different formulations the behavior under sudden in(de)creases of the strain rate by two orders of magnitude is simulated by numerical experiments and differences are noted. The model represents cyclically neutral behavior and contains three constants and two positive, decreasing functions. The determination of constants and functions from monotonic loading with strain rate changes and relaxation periods is described.

  15. Enhanced dewaterability of sludge during anaerobic digestion with thermal hydrolysis pretreatment: New insights through structure evolution.

    PubMed

    Zhang, Jingsi; Li, Ning; Dai, Xiaohu; Tao, Wenquan; Jenkinson, Ian R; Li, Zhuo

    2017-12-19

    Comprehensive insights into the sludge digestate dewaterability were gained through porous network structure of sludge. We measured the evolution of digestate dewaterability, represented by the solid content of centrifugally dewatered cake, in high-solids sequencing batch digesters with and without thermal hydrolysis pretreatment (THP). The results show that the dewaterability of the sludge after digestion was improved by 3.5% (±0.5%) for unpretreated sludge and 5.1% (±0.4%) for thermally hydrolyzed sludge. Compared to the unpretreated sludge digestate, thermal hydrolysis pretreatment eventually resulted in an improvement of dewaterability by 4.6% (±0.5%). Smaller particle size and larger surface area of sludge were induced by thermal hydrolysis and anaerobic digestion treatments. The structure strength and compactness of sludge, represented by elastic modulus and fractal dimension respectively, decreased with increase of digestion time. The porous network structure was broken up by thermal hydrolysis pretreatment and was further weakened during anaerobic digestion, which correspondingly improved the dewaterability of digestates. The logarithm of elastic modulus increased linearly with fractal dimension regardless of the pretreatment. Both fractal dimension and elastic modulus showed linear relationship with dewaterability. The rheological characterization combined with the analysis of fractal dimension of sewage sludge porous network structure was found applicable in quantitative evaluation of sludge dewaterability, which depended positively on both thermal hydrolysis and anaerobic digestion. Copyright © 2017 Elsevier Ltd. All rights reserved.

  16. Modeling of Soft Poroelastic Tissue in Time-Harmonic MR Elastography

    PubMed Central

    Perriñez, Phillip R.; Kennedy, Francis E.; Van Houten, Elijah E. W.; Weaver, John B.; Paulsen, Keith D.

    2010-01-01

    Elastography is an emerging imaging technique that focuses on assessing the resistance to deformation of soft biological tissues in vivo. Magnetic resonance elastography (MRE) uses measured displacement fields resulting from low-amplitude, low-frequency (10 Hz–1 kHz) time-harmonic vibration to recover images of the elastic property distribution of tissues including breast, liver, muscle, prostate, and brain. While many soft tissues display complex time-dependent behavior not described by linear elasticity, the models most commonly employed in MRE parameter reconstructions are based on elastic assumptions. Further, elasticity models fail to include the interstitial fluid phase present in vivo. Alternative continuum models, such as consolidation theory, are able to represent tissue and other materials comprising two distinct phases, generally consisting of a porous elastic solid and penetrating fluid. MRE reconstructions of simulated elastic and poroelastic phantoms were performed to investigate the limitations of current-elasticity-based methods in producing accurate elastic parameter estimates in poroelastic media. The results indicate that linearly elastic reconstructions of fluid-saturated porous media at amplitudes and frequencies relevant to steady-state MRE can yield misleading effective property distributions resulting from the complex interaction between their solid and fluid phases. PMID:19272864

  17. Modeling complicated rheological behaviors in encapsulating shells of lipid-coated microbubbles accounting for nonlinear changes of both shell viscosity and elasticity

    NASA Astrophysics Data System (ADS)

    Li, Qian; Matula, Thomas J.; Tu, Juan; Guo, Xiasheng; Zhang, Dong

    2013-02-01

    It has been accepted that the dynamic responses of ultrasound contrast agent (UCA) microbubbles will be significantly affected by the encapsulating shell properties (e.g., shell elasticity and viscosity). In this work, a new model is proposed to describe the complicated rheological behaviors in an encapsulating shell of UCA microbubbles by applying the nonlinear ‘Cross law’ to the shell viscous term in the Marmottant model. The proposed new model was verified by fitting the dynamic responses of UCAs measured with either a high-speed optical imaging system or a light scattering system. The comparison results between the measured radius-time curves and the numerical simulations demonstrate that the ‘compression-only’ behavior of UCAs can be successfully simulated with the new model. Then, the shell elastic and viscous coefficients of SonoVue microbubbles were evaluated based on the new model simulations, and compared to the results obtained from some existing UCA models. The results confirm the capability of the current model for reducing the dependence of bubble shell parameters on the initial bubble radius, which indicates that the current model might be more comprehensive to describe the complex rheological nature (e.g., ‘shear-thinning’ and ‘strain-softening’) in encapsulating shells of UCA microbubbles by taking into account the nonlinear changes of both shell elasticity and shell viscosity.

  18. Biomechanical behavior of muscle-tendon complex during dynamic human movements.

    PubMed

    Fukashiro, Senshi; Hay, Dean C; Nagano, Akinori

    2006-05-01

    This paper reviews the research findings regarding the force and length changes of the muscle-tendon complex during dynamic human movements, especially those using ultrasonography and computer simulation. The use of ultrasonography demonstrated that the tendinous structures of the muscle-tendon complex are compliant enough to influence the biomechanical behavior (length change, shortening velocity, and so on) of fascicles substantially. It was discussed that the fascicles are a force generator rather than a work generator; the tendinous structures function not only as an energy re-distributor but also as a power amplifier, and the interaction between fascicles and tendinous structures is essential for generating higher joint power outputs during the late pushoff phase in human vertical jumping. This phenomenon could be explained based on the force-length/velocity relationships of each element (contractile and series elastic elements) in the muscle-tendon complex during movements. Through computer simulation using a Hill-type muscle-tendon complex model, the benefit of making a countermovement was examined in relation to the compliance of the muscle-tendon complex and the length ratio between the contractile and series elastic elements. Also, the integral roles of the series elastic element were simulated in a cyclic human heel-raise exercise. It was suggested that the storage and reutilization of elastic energy by the tendinous structures play an important role in enhancing work output and movement efficiency in many sorts of human movements.

  19. Modeling complicated rheological behaviors in encapsulating shells of lipid-coated microbubbles accounting for nonlinear changes of both shell viscosity and elasticity.

    PubMed

    Li, Qian; Matula, Thomas J; Tu, Juan; Guo, Xiasheng; Zhang, Dong

    2013-02-21

    It has been accepted that the dynamic responses of ultrasound contrast agent (UCA) microbubbles will be significantly affected by the encapsulating shell properties (e.g., shell elasticity and viscosity). In this work, a new model is proposed to describe the complicated rheological behaviors in an encapsulating shell of UCA microbubbles by applying the nonlinear 'Cross law' to the shell viscous term in the Marmottant model. The proposed new model was verified by fitting the dynamic responses of UCAs measured with either a high-speed optical imaging system or a light scattering system. The comparison results between the measured radius-time curves and the numerical simulations demonstrate that the 'compression-only' behavior of UCAs can be successfully simulated with the new model. Then, the shell elastic and viscous coefficients of SonoVue microbubbles were evaluated based on the new model simulations, and compared to the results obtained from some existing UCA models. The results confirm the capability of the current model for reducing the dependence of bubble shell parameters on the initial bubble radius, which indicates that the current model might be more comprehensive to describe the complex rheological nature (e.g., 'shear-thinning' and 'strain-softening') in encapsulating shells of UCA microbubbles by taking into account the nonlinear changes of both shell elasticity and shell viscosity.

  20. Exploring the remarkable limits of continuum elastic theory to understand the nanomechanics of viruses

    NASA Astrophysics Data System (ADS)

    Roos, Wouter; Gibbons, Melissa; Klug, William; Wuite, Gijs

    2009-03-01

    We report nanoindentation experiments by atomic force microscopy on capsids of the Hepatitis B Virus (HBV). HBV is investigated because its capsids can form in either a smaller T=3 or a bigger T=4 configuration, making it an ideal system to test the predictive power of continuum elastic theory to describe nanometre-sized objects. It is shown that for small, consecutive indentations the particles behave reversibly linear and no material fatigue occurs. For larger indentations the particles start to deform non-linearly. The experimental force response fits very well with finite element simulations on coarse grained models of HBV capsids. Furthermore, this also fits with thin shell simulations guided by the F"oppl- von K'arm'an (FvK) number (the dimensionless ratio of stretching and bending stiffness of a thin shell). Both the T=3 and T=4 morphology are very well described by the simulations and the capsid material turns out to have the same Young's modulus, as expected. The presented results demonstrate the surprising strength of continuum elastic theory to describe indentation of viral capsids.

  1. Modeling AFM-induced PEVK extension and the reversible unfolding of Ig/FNIII domains in single and multiple titin molecules.

    PubMed Central

    Zhang, B; Evans, J S

    2001-01-01

    Molecular elasticity is associated with a select number of polypeptides and proteins, such as titin, Lustrin A, silk fibroin, and spider silk dragline protein. In the case of titin, the globular (Ig) and non-globular (PEVK) regions act as extensible springs under stretch; however, their unfolding behavior and force extension characteristics are different. Using our time-dependent macroscopic method for simulating AFM-induced titin Ig domain unfolding and refolding, we simulate the extension and relaxation of hypothetical titin chains containing Ig domains and a PEVK region. Two different models are explored: 1) a series-linked WLC expression that treats the PEVK region as a distinct entropic spring, and 2) a summation of N single WLC expressions that simulates the extension and release of a discrete number of parallel titin chains containing constant or variable amounts of PEVK. In addition to these simulations, we also modeled the extension of a hypothetical PEVK domain using a linear Hooke's spring model to account for "enthalpic" contributions to PEVK elasticity. We find that the modified WLC simulations feature chain length compensation, Ig domain unfolding/refolding, and force-extension behavior that more closely approximate AFM, laser tweezer, and immunolocalization experimental data. In addition, our simulations reveal the following: 1) PEVK extension overlaps with the onset of Ig domain unfolding, and 2) variations in PEVK content within a titin chain ensemble lead to elastic diversity within that ensemble. PMID:11159428

  2. A strategy for prediction of the elastic properties of epoxy-cellulose nanocrystal-reinforced fiber networks

    Treesearch

    Johnathan E. Goodsell; Robert J. Moon; Alionso Huizar; R. Byron Pipes

    2014-01-01

    The reinforcement potential of cellulose nanocrystal (CNC) additions on an idealized 2-dirmensional (2-D) fiber network structure consisting of micron sized fiber elements was investigated. The reinforcement mechanism considered in this study was through the stiffening of the micron sized fiber elements via a CNC-epoxy coating. A hierarchical analytical modeling...

  3. Tailoring chain length and cross-link density in dielectric elastomer toward enhanced actuation strain

    NASA Astrophysics Data System (ADS)

    Zhang, Quan-Ping; Liu, Jun-Hua; Liu, Hai-Dong; Jia, Fei; Zhou, Yuan-Lin; Zheng, Jian

    2017-10-01

    Adding ceramic or conductive fillers into polymers for increasing permittivity is a direct and effective approach to enhance the actuation strain of dielectric elastomer actuators (DEAs). Unfortunately, the major dielectric loss caused by weak interfaces potentially harms the electro-mechanical stability and lifetime of DEAs. Here, we construct a desired macromolecular network with a long chain length and low cross-link density to reduce the elastic modulus of silicone elastomers. Selecting a high molecular weight of polymethylvinylsiloxane and a low dose of the cross-linker leads the soft but tough networks with rich entanglements, poor cross-links, and a low amount of defects. Then, a ductile material with low elastic modulus but high elongation at break is obtained. It accounts for much more excellent actuation strain of Hl in comparison to that of the other silicone elastomers. Importantly, without other fillers, the ultralow dielectric loss, conductivity, and firm networks possibly promote the electro-mechanical stability and lifetime for the DEA application.

  4. Superhard BC 3 in cubic diamond structure

    DOE PAGES

    Zhang, Miao; Liu, Hanyu; Li, Quan; ...

    2015-01-06

    We solve the crystal structure of recently synthesized cubic BC 3 using an unbiased swarm structure search, which identifies a highly symmetric BC 3 phase in the cubic diamond structure (d–BC3) that contains a distinct B-B bonding network along the body diagonals of a large 64-atom unit cell. Simulated x-ray diffraction and Raman peaks of d–BC 3 are in excellent agreement with experimental data. Calculated stress-strain relations of d–BC 3 demonstrate its intrinsic superhard nature and reveal intriguing sequential bond-breaking modes that produce superior ductility and extended elasticity, which are unique among superhard solids. Here, the present results establish themore » first boron carbide in the cubic diamond structure with remarkable properties, and these new findings also provide insights for exploring other covalent solids with complex bonding configurations.« less

  5. Modeling liquid crystal polymeric devices

    NASA Astrophysics Data System (ADS)

    Gimenez Pinto, Vianney Karina

    The main focus of this work is the theoretical and numerical study of materials that combine liquid crystal and polymer. Liquid crystal elastomers are polymeric materials that exhibit both the ordered properties of the liquid crystals and the elastic properties of rubbers. Changing the order of the liquid crystal molecules within the polymer network can induce shape change. These materials are very valuable for applications such as actuators, sensors, artificial muscles, haptic displays, etc. In this work we apply finite element elastodynamics simulations to study the temperature induced shape deformation in nematic elastomers with complex director microstructure. In another topic, we propose a novel numerical method to model the director dynamics and microstructural evolution of three dimensional nematic and cholesteric liquid crystals. Numerical studies presented in this work are in agreement with experimental observations and provide insight into the design of application devices.

  6. Combining gait optimization with passive system to increase the energy efficiency of a humanoid robot walking movement

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

    Pereira, Ana I.; ALGORITMI,University of Minho; Lima, José

    There are several approaches to create the Humanoid robot gait planning. This problem presents a large number of unknown parameters that should be found to make the humanoid robot to walk. Optimization in simulation models can be used to find the gait based on several criteria such as energy minimization, acceleration, step length among the others. The energy consumption can also be reduced with elastic elements coupled to each joint. The presented paper addresses an optimization method, the Stretched Simulated Annealing, that runs in an accurate and stable simulation model to find the optimal gait combined with elastic elements. Finalmore » results demonstrate that optimization is a valid gait planning technique.« less

  7. Confocal Microscopy of Jammed Matter: From Elasticity to Granular Thermodynamics

    NASA Astrophysics Data System (ADS)

    Jorjadze, Ivane

    Packings of particles are ubiquitous in nature and are of interest not only to the scientific community but also to the food, pharmaceutical, and oil industries. In this thesis we use confocal microscopy to investigate packing geometry and stress transmission in 3D jammed particulate systems. By introducing weak depletion attraction we probe the accessible phase-space and demonstrate that a microscopic approach to jammed matter gives validity to statistical mechanics framework, which is intriguing because our particles are not thermally activated. We show that the fluctuations of the local packing parameters can be successfully captured by the recently proposed 'granocentric' model, which generates packing statistics according to simple stochastic processes. This model enables us to calculate packing entropy and granular temperature, the so-called 'compactivity', therefore, providing a basis for a statistical mechanics of granular matter. At a jamming transition point at which there are formed just enough number of contacts to guarantee the mechanical stability, theoretical arguments suggest a singularity which gives rise to the surprising scaling behavior of the elastic moduli and the microstructure, as observed in numerical simulations. Since the contact network in 3D is typically hidden from view, experimental test of the scaling law between the coordination number and the applied pressure is lacking in the literature. Our data show corrections to the linear scaling of the pressure with density which takes into account the creation of contacts. Numerical studies of vibrational spectra, in turn, reveal sudden features such as excess of low frequency modes, dependence of mode localization and structure on the pressure. Chapter four describes the first calculation of vibrational density of states from the experimental 3D data and is in qualitative agreement with the analogous computer simulations. We study the configurational role of the pressure and demonstrate that low frequency modes become progressively localized as the packing density is increased. Another application of our oil-in-water emulsions serves to mimic cell adhesion in biological tissues. By analyzing the microstructure in 3D we find that a threshold compression force is necessary to overcome electrostatic repulsion and surface elasticity and establish protein-mediated adhesion.

  8. Hardness, elastic, and electronic properties of chromium monoboride

    DOE PAGES

    Han, Lei; Wang, Shanmin; Zhu, Jinlong; ...

    2015-06-03

    Here, we report high-pressure synthesis of chromium monoboride (CrB) at 6 GPa and 1400 K. The elastic and plastic behaviors have been investigated by hydrostatic compression experiment and micro-indentation measurement. CrB is elastically incompressible with a high bulk modulus of 269.0 (5.9) GPa and exhibits a high Vickers hardness of 19.6 (0.7) GPa under the load of 1 kg force. Based on first principles calculations, the observed mechanical properties are attributed to the polar covalent Cr-B bonds interconnected with strong zigzag B-B covalent bonding network. The presence of metallic Cr bilayers is presumably responsible for the weakest paths in shearmore » deformation.« less

  9. Application of artificial neural networks in nonlinear analysis of trusses

    NASA Technical Reports Server (NTRS)

    Alam, J.; Berke, L.

    1991-01-01

    A method is developed to incorporate neural network model based upon the Backpropagation algorithm for material response into nonlinear elastic truss analysis using the initial stiffness method. Different network configurations are developed to assess the accuracy of neural network modeling of nonlinear material response. In addition to this, a scheme based upon linear interpolation for material data, is also implemented for comparison purposes. It is found that neural network approach can yield very accurate results if used with care. For the type of problems under consideration, it offers a viable alternative to other material modeling methods.

  10. Frustration in protein elastic network models

    NASA Astrophysics Data System (ADS)

    Lezon, Timothy; Bahar, Ivet

    2010-03-01

    Elastic network models (ENMs) are widely used for studying the equilibrium dynamics of proteins. The most common approach in ENM analysis is to adopt a uniform force constant or a non-specific distance dependent function to represent the force constant strength. Here we discuss the influence of sequence and structure in determining the effective force constants between residues in ENMs. Using a novel method based on entropy maximization, we optimize the force constants such that they exactly reporduce a subset of experimentally determined pair covariances for a set of proteins. We analyze the optimized force constants in terms of amino acid types, distances, contact order and secondary structure, and we demonstrate that including frustrated interactions in the ENM is essential for accurately reproducing the global modes in the middle of the frequency spectrum.

  11. Elastic response of binary hard-sphere fluids

    NASA Astrophysics Data System (ADS)

    Rickman, J. M.; Ou-Yang, H. Daniel

    2011-07-01

    We derive expressions for the high-frequency, wave-number-dependent elastic constants of a binary hard-sphere fluid and employ Monte Carlo computer simulation to evaluate these constants in order to highlight the impact of composition and relative sphere diameter on the elastic response of this system. It is found that the elastic constant c11(k) exhibits oscillatory behavior as a function of k whereas the high-frequency shear modulus, for example, does not. This behavior is shown to be dictated by the angular dependence (in k⃗ space) of derivatives of the interatomic force at contact. The results are related to recent measurements of the compressibility of colloidal fluids in laser trapping experiments.

  12. An elastic failure model of indentation damage. [of brittle structural ceramics

    NASA Technical Reports Server (NTRS)

    Liaw, B. M.; Kobayashi, A. S.; Emery, A. F.

    1984-01-01

    A mechanistically consistent model for indentation damage based on elastic failure at tensile or shear overloads, is proposed. The model accommodates arbitrary crack orientation, stress relaxation, reduction and recovery of stiffness due to crack opening and closure, and interfacial friction due to backward sliding of closed cracks. This elastic failure model was implemented by an axisymmetric finite element program which was used to simulate progressive damage in a silicon nitride plate indented by a tungsten carbide sphere. The predicted damage patterns and the permanent impression matched those observed experimentally. The validation of this elastic failure model shows that the plastic deformation postulated by others is not necessary to replicate the indentation damage of brittle structural ceramics.

  13. Using an elastic magnifier to increase power output and performance of heart-beat harvesters

    NASA Astrophysics Data System (ADS)

    Galbier, Antonio C.; Karami, M. Amin

    2017-09-01

    Embedded piezoelectric energy harvesting (PEH) systems in medical pacemakers have been a growing and innovative research area. The goal of these systems, at present, is to remove the pacemaker battery, which makes up 60%-80% of the unit, and replace it with a sustainable power source. This requires that energy harvesting systems provide sufficient power, 1-3 μW, for operating a pacemaker. The goal of this work is to develop, test, and simulate cantilevered energy harvesters with a linear elastic magnifier (LEM). This research hopes to provide insight into the interaction between pacemaker energy harvesters and the heart. By introducing the elastic magnifier into linear and nonlinear systems oscillations of the tip are encouraged into high energy orbits and large tip deflections. A continuous nonlinear model is presented for the bistable piezoelectric energy harvesting (BPEH) system and a one-degree-of-freedom linear mass-spring-damper model is presented for the elastic magnifier. The elastic magnifier will not consider the damping negligible, unlike most models. A physical model was created for the bistable structure and formed to an elastic magnifier. A hydrogel was designed for the experimental model for the LEM. Experimental results show that the BPEH coupled with a LEM (BPEH + LEM) produces more power at certain input frequencies and operates a larger bandwidth than a PEH, BPEH, and a standard piezoelectric energy harvester with the elastic magnifier (PEH + LEM). Numerical simulations are consistent with these results. It was observed that the system enters high-energy and high orbit oscillations and that, ultimately, BPEH systems implemented in medical pacemakers can, if designed properly, have enhanced performance if positioned over the heart.

  14. Quasi-static incremental behavior of granular materials: Elastic-plastic coupling and micro-scale dissipation

    NASA Astrophysics Data System (ADS)

    Kuhn, Matthew R.; Daouadji, Ali

    2018-05-01

    The paper addresses a common assumption of elastoplastic modeling: that the recoverable, elastic strain increment is unaffected by alterations of the elastic moduli that accompany loading. This assumption is found to be false for a granular material, and discrete element (DEM) simulations demonstrate that granular materials are coupled materials at both micro- and macro-scales. Elasto-plastic coupling at the macro-scale is placed in the context of thermomechanics framework of Tomasz Hueckel and Hans Ziegler, in which the elastic moduli are altered by irreversible processes during loading. This complex behavior is explored for multi-directional loading probes that follow an initial monotonic loading. An advanced DEM model is used in the study, with non-convex non-spherical particles and two different contact models: a conventional linear-frictional model and an exact implementation of the Hertz-like Cattaneo-Mindlin model. Orthotropic true-triaxial probes were used in the study (i.e., no direct shear strain), with tiny strain increments of 2 ×10-6 . At the micro-scale, contact movements were monitored during small increments of loading and load-reversal, and results show that these movements are not reversed by a reversal of strain direction, and some contacts that were sliding during a loading increment continue to slide during reversal. The probes show that the coupled part of a strain increment, the difference between the recoverable (elastic) increment and its reversible part, must be considered when partitioning strain increments into elastic and plastic parts. Small increments of irreversible (and plastic) strain and contact slipping and frictional dissipation occur for all directions of loading, and an elastic domain, if it exists at all, is smaller than the strain increment used in the simulations.

  15. Enhancing Electrophoretic Display Lifetime: Thiol-Polybutadiene Evaporation Barrier Property Response to Network Microstructure

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

    Cook, Caitlyn Christian

    An evaporation barrier is required to enhance the lifetime of electrophoretic deposition (EPD) displays. As EPD functions on the basis of reversible deposition and resuspension of colloids suspended in a solvent, evaporation of the solvent ultimately leads to device failure. Incorporation of a thiol-polybutadiene elastomer into EPD displays enabled display lifetime surpassing six months in counting and catalyzed rigid display transition into a flexible package. Final flexible display transition to mass production compels an electronic-ink approach to encapsulate display suspension within an elastomer shell. Final thiol-polybutadiene photosensitive resin network microstructure was idealized to be dense, homogeneous, and expose an elasticmore » response to deformation. Research at hand details an approach to understanding microstructural change within display elastomers. Polybutadiene-based resin properties are modified via polymer chain structure, with and without added aromatic urethane methacrylate difunctionality, and in measuring network response to variation in thiol and initiator concentration. Dynamic mechanical analysis results signify that cross-linked segments within a difunctionalized polybutadiene network were on average eight times more elastically active than that of linked segments within a non-functionalized polybutadiene network. Difunctionalized polybutadiene samples also showed a 2.5 times greater maximum elastic modulus than non-functionalized samples. Hybrid polymer composed of both polybutadiene chains encompassed TE-2000 stiffness and B-1000 elasticity for use in encapsulating display suspension. Later experiments measured kinetic and rheological response due to alteration in dithiol cross-linker chain length via real time Fourier transform infrared spectroscopy and real-time dynamic rheology. Distinct differences were discovered between dithiol resin systems, as maximum thiol conversion achieved in short and long chain length dithiols was 86% and 11%, respectively. Oscillatory real-time rheological experiments confirmed a more uniform network to better dissipate applied shear in short chain length dithiol systems, as long chain length dithiols relayed a steep internal stress build-up due to less cross-links and chain entanglements. Thorough understanding of network formation aids the production of a stronger and impermeable elastomeric barrier for preservation of EPD displays.« less

  16. Interaction potential for indium phosphide: a molecular dynamics and first-principles study of the elastic constants, generalized stacking fault and surface energies.

    PubMed

    Branicio, Paulo Sergio; Rino, José Pedro; Gan, Chee Kwan; Tsuzuki, Hélio

    2009-03-04

    Indium phosphide is investigated using molecular dynamics (MD) simulations and density-functional theory calculations. MD simulations use a proposed effective interaction potential for InP fitted to a selected experimental dataset of properties. The potential consists of two- and three-body terms that represent atomic-size effects, charge-charge, charge-dipole and dipole-dipole interactions as well as covalent bond bending and stretching. Predictions are made for the elastic constants as a function of density and temperature, the generalized stacking fault energy and the low-index surface energies.

  17. Numerical simulation of a sphere moving down an incline with identical spheres placed equally apart

    USGS Publications Warehouse

    Ling, Chi-Hai; Jan, Chyan-Deng; Chen, Cheng-lung; Shen, Hsieh Wen

    1992-01-01

    This paper describes a numerical study of an elastic sphere moving down an incline with a string of identical spheres placed equally apart. Two momentum equations and a moment equation formulated for the moving sphere are solved numerically for the instantaneous velocity of the moving sphere on an incline with different angles of inclination. Input parameters for numerical simulation include the properties of the sphere (the radius, density, Poison's ratio, and Young's Modulus of elasticity), the coefficient of friction between the spheres, and a damping coefficient of the spheres during collision.

  18. Constant-Elasticity-of-Substitution Simulation

    NASA Technical Reports Server (NTRS)

    Reiter, G.

    1986-01-01

    Program simulates constant elasticity-of-substitution (CES) production function. CES function used by economic analysts to examine production costs as well as uncertainties in production. User provides such input parameters as price of labor, price of capital, and dispersion levels. CES minimizes expected cost to produce capital-uncertainty pair. By varying capital-value input, one obtains series of capital-uncertainty pairs. Capital-uncertainty pairs then used to generate several cost curves. CES program menu driven and features specific print menu for examining selected output curves. Program written in BASIC for interactive execution and implemented on IBM PC-series computer.

  19. Theory of activated glassy dynamics in randomly pinned fluids.

    PubMed

    Phan, Anh D; Schweizer, Kenneth S

    2018-02-07

    We generalize the force-level, microscopic, Nonlinear Langevin Equation (NLE) theory and its elastically collective generalization [elastically collective nonlinear Langevin equation (ECNLE) theory] of activated dynamics in bulk spherical particle liquids to address the influence of random particle pinning on structural relaxation. The simplest neutral confinement model is analyzed for hard spheres where there is no change of the equilibrium pair structure upon particle pinning. As the pinned fraction grows, cage scale dynamical constraints are intensified in a manner that increases with density. This results in the mobile particles becoming more transiently localized, with increases of the jump distance, cage scale barrier, and NLE theory mean hopping time; subtle changes of the dynamic shear modulus are predicted. The results are contrasted with recent simulations. Similarities in relaxation behavior are identified in the dynamic precursor regime, including a roughly exponential, or weakly supra-exponential, growth of the alpha time with pinning fraction and a reduction of dynamic fragility. However, the increase of the alpha time with pinning predicted by the local NLE theory is too small and severely so at very high volume fractions. The strong deviations are argued to be due to the longer range collective elasticity aspect of the problem which is expected to be modified by random pinning in a complex manner. A qualitative physical scenario is offered for how the three distinct aspects that quantify the elastic barrier may change with pinning. ECNLE theory calculations of the alpha time are then presented based on the simplest effective-medium-like treatment for how random pinning modifies the elastic barrier. The results appear to be consistent with most, but not all, trends seen in recent simulations. Key open problems are discussed with regard to both theory and simulation.

  20. Theory of activated glassy dynamics in randomly pinned fluids

    NASA Astrophysics Data System (ADS)

    Phan, Anh D.; Schweizer, Kenneth S.

    2018-02-01

    We generalize the force-level, microscopic, Nonlinear Langevin Equation (NLE) theory and its elastically collective generalization [elastically collective nonlinear Langevin equation (ECNLE) theory] of activated dynamics in bulk spherical particle liquids to address the influence of random particle pinning on structural relaxation. The simplest neutral confinement model is analyzed for hard spheres where there is no change of the equilibrium pair structure upon particle pinning. As the pinned fraction grows, cage scale dynamical constraints are intensified in a manner that increases with density. This results in the mobile particles becoming more transiently localized, with increases of the jump distance, cage scale barrier, and NLE theory mean hopping time; subtle changes of the dynamic shear modulus are predicted. The results are contrasted with recent simulations. Similarities in relaxation behavior are identified in the dynamic precursor regime, including a roughly exponential, or weakly supra-exponential, growth of the alpha time with pinning fraction and a reduction of dynamic fragility. However, the increase of the alpha time with pinning predicted by the local NLE theory is too small and severely so at very high volume fractions. The strong deviations are argued to be due to the longer range collective elasticity aspect of the problem which is expected to be modified by random pinning in a complex manner. A qualitative physical scenario is offered for how the three distinct aspects that quantify the elastic barrier may change with pinning. ECNLE theory calculations of the alpha time are then presented based on the simplest effective-medium-like treatment for how random pinning modifies the elastic barrier. The results appear to be consistent with most, but not all, trends seen in recent simulations. Key open problems are discussed with regard to both theory and simulation.

  1. The effects of plastic waves on the numerical convergence of the viscous-plastic and elastic-viscous-plastic sea-ice models

    NASA Astrophysics Data System (ADS)

    Williams, James; Tremblay, L. Bruno; Lemieux, Jean-François

    2017-07-01

    The plastic wave speed is derived from the linearized 1-D version of the widely used viscous-plastic (VP) and elastic-viscous-plastic (EVP) sea-ice models. Courant-Friedrichs-Lewy (CFL) conditions are derived using the propagation speed of the wave. 1-D numerical experiments of the VP, EVP and EVP* models successfully recreate a reference solution when the CFL conditions are satisfied, in agreement with the theory presented. The IMplicit-EXplicit (IMEX) method is shown to effectively alleviate the plastic wave CFL constraint on the timestep in the implicitly solved VP model in both 1-D and 2-D. In 2-D, the EVP and EVP* models show first order error in the simulated velocity field when the plastic wave is not resolved. EVP simulations are performed with various advective timestep, number of subcycles, and elastic-wave damping timescales. It is found that increasing the number of subcycles beyond that needed to resolve the elastic wave does not improve the quality of the solution. It is found that reducing the elastic wave damping timescale reduces the spatial extent of first order errors cause by the unresolved plastic wave. Reducing the advective timestep so that the plastic wave is resolved also reduces the velocity error in terms of magnitude and spatial extent. However, the parameter set required for convergence to within the error bars of satellite (RGPS) deformation fields is impractical for use in climate model simulations. The behavior of the EVP* method is analogous to that of the EVP method except that it is not possible to reduce the damping timescale with α = β.

  2. An elastic-plastic contact model for line contact structures

    NASA Astrophysics Data System (ADS)

    Zhu, Haibin; Zhao, Yingtao; He, Zhifeng; Zhang, Ruinan; Ma, Shaopeng

    2018-06-01

    Although numerical simulation tools are now very powerful, the development of analytical models is very important for the prediction of the mechanical behaviour of line contact structures for deeply understanding contact problems and engineering applications. For the line contact structures widely used in the engineering field, few analytical models are available for predicting the mechanical behaviour when the structures deform plastically, as the classic Hertz's theory would be invalid. Thus, the present study proposed an elastic-plastic model for line contact structures based on the understanding of the yield mechanism. A mathematical expression describing the global relationship between load history and contact width evolution of line contact structures was obtained. The proposed model was verified through an actual line contact test and a corresponding numerical simulation. The results confirmed that this model can be used to accurately predict the elastic-plastic mechanical behaviour of a line contact structure.

  3. Calculation of open and closed system elastic coefficients for multicomponent solids

    NASA Astrophysics Data System (ADS)

    Mishin, Y.

    2015-06-01

    Thermodynamic equilibrium in multicomponent solids subject to mechanical stresses is a complex nonlinear problem whose exact solution requires extensive computations. A few decades ago, Larché and Cahn proposed a linearized solution of the mechanochemical equilibrium problem by introducing the concept of open system elastic coefficients [Acta Metall. 21, 1051 (1973), 10.1016/0001-6160(73)90021-7]. Using the Ni-Al solid solution as a model system, we demonstrate that open system elastic coefficients can be readily computed by semigrand canonical Monte Carlo simulations in conjunction with the shape fluctuation approach. Such coefficients can be derived from a single simulation run, together with other thermodynamic properties needed for prediction of compositional fields in solid solutions containing defects. The proposed calculation approach enables streamlined solutions of mechanochemical equilibrium problems in complex alloys. Second order corrections to the linear theory are extended to multicomponent systems.

  4. Elastically driven intermittent microscopic dynamics in soft solids

    NASA Astrophysics Data System (ADS)

    Bouzid, Mehdi; Colombo, Jader; Barbosa, Lucas Vieira; Del Gado, Emanuela

    2017-06-01

    Soft solids with tunable mechanical response are at the core of new material technologies, but a crucial limit for applications is their progressive aging over time, which dramatically affects their functionalities. The generally accepted paradigm is that such aging is gradual and its origin is in slower than exponential microscopic dynamics, akin to the ones in supercooled liquids or glasses. Nevertheless, time- and space-resolved measurements have provided contrasting evidence: dynamics faster than exponential, intermittency and abrupt structural changes. Here we use 3D computer simulations of a microscopic model to reveal that the timescales governing stress relaxation, respectively, through thermal fluctuations and elastic recovery are key for the aging dynamics. When thermal fluctuations are too weak, stress heterogeneities frozen-in upon solidification can still partially relax through elastically driven fluctuations. Such fluctuations are intermittent, because of strong correlations that persist over the timescale of experiments or simulations, leading to faster than exponential dynamics.

  5. Enabling parallel simulation of large-scale HPC network systems

    DOE PAGES

    Mubarak, Misbah; Carothers, Christopher D.; Ross, Robert B.; ...

    2016-04-07

    Here, with the increasing complexity of today’s high-performance computing (HPC) architectures, simulation has become an indispensable tool for exploring the design space of HPC systems—in particular, networks. In order to make effective design decisions, simulations of these systems must possess the following properties: (1) have high accuracy and fidelity, (2) produce results in a timely manner, and (3) be able to analyze a broad range of network workloads. Most state-of-the-art HPC network simulation frameworks, however, are constrained in one or more of these areas. In this work, we present a simulation framework for modeling two important classes of networks usedmore » in today’s IBM and Cray supercomputers: torus and dragonfly networks. We use the Co-Design of Multi-layer Exascale Storage Architecture (CODES) simulation framework to simulate these network topologies at a flit-level detail using the Rensselaer Optimistic Simulation System (ROSS) for parallel discrete-event simulation. Our simulation framework meets all the requirements of a practical network simulation and can assist network designers in design space exploration. First, it uses validated and detailed flit-level network models to provide an accurate and high-fidelity network simulation. Second, instead of relying on serial time-stepped or traditional conservative discrete-event simulations that limit simulation scalability and efficiency, we use the optimistic event-scheduling capability of ROSS to achieve efficient and scalable HPC network simulations on today’s high-performance cluster systems. Third, our models give network designers a choice in simulating a broad range of network workloads, including HPC application workloads using detailed network traces, an ability that is rarely offered in parallel with high-fidelity network simulations« less

  6. Enabling parallel simulation of large-scale HPC network systems

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

    Mubarak, Misbah; Carothers, Christopher D.; Ross, Robert B.

    Here, with the increasing complexity of today’s high-performance computing (HPC) architectures, simulation has become an indispensable tool for exploring the design space of HPC systems—in particular, networks. In order to make effective design decisions, simulations of these systems must possess the following properties: (1) have high accuracy and fidelity, (2) produce results in a timely manner, and (3) be able to analyze a broad range of network workloads. Most state-of-the-art HPC network simulation frameworks, however, are constrained in one or more of these areas. In this work, we present a simulation framework for modeling two important classes of networks usedmore » in today’s IBM and Cray supercomputers: torus and dragonfly networks. We use the Co-Design of Multi-layer Exascale Storage Architecture (CODES) simulation framework to simulate these network topologies at a flit-level detail using the Rensselaer Optimistic Simulation System (ROSS) for parallel discrete-event simulation. Our simulation framework meets all the requirements of a practical network simulation and can assist network designers in design space exploration. First, it uses validated and detailed flit-level network models to provide an accurate and high-fidelity network simulation. Second, instead of relying on serial time-stepped or traditional conservative discrete-event simulations that limit simulation scalability and efficiency, we use the optimistic event-scheduling capability of ROSS to achieve efficient and scalable HPC network simulations on today’s high-performance cluster systems. Third, our models give network designers a choice in simulating a broad range of network workloads, including HPC application workloads using detailed network traces, an ability that is rarely offered in parallel with high-fidelity network simulations« less

  7. User's guide of TOUGH2-EGS-MP: A Massively Parallel Simulator with Coupled Geomechanics for Fluid and Heat Flow in Enhanced Geothermal Systems VERSION 1.0

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

    Xiong, Yi; Fakcharoenphol, Perapon; Wang, Shihao

    2013-12-01

    TOUGH2-EGS-MP is a parallel numerical simulation program coupling geomechanics with fluid and heat flow in fractured and porous media, and is applicable for simulation of enhanced geothermal systems (EGS). TOUGH2-EGS-MP is based on the TOUGH2-MP code, the massively parallel version of TOUGH2. In TOUGH2-EGS-MP, the fully-coupled flow-geomechanics model is developed from linear elastic theory for thermo-poro-elastic systems and is formulated in terms of mean normal stress as well as pore pressure and temperature. Reservoir rock properties such as porosity and permeability depend on rock deformation, and the relationships between these two, obtained from poro-elasticity theories and empirical correlations, are incorporatedmore » into the simulation. This report provides the user with detailed information on the TOUGH2-EGS-MP mathematical model and instructions for using it for Thermal-Hydrological-Mechanical (THM) simulations. The mathematical model includes the fluid and heat flow equations, geomechanical equation, and discretization of those equations. In addition, the parallel aspects of the code, such as domain partitioning and communication between processors, are also included. Although TOUGH2-EGS-MP has the capability for simulating fluid and heat flows coupled with geomechanical effects, it is up to the user to select the specific coupling process, such as THM or only TH, in a simulation. There are several example problems illustrating applications of this program. These example problems are described in detail and their input data are presented. Their results demonstrate that this program can be used for field-scale geothermal reservoir simulation in porous and fractured media with fluid and heat flow coupled with geomechanical effects.« less

  8. Networks 90: Polymer Networks Group Meeting (10th) and IUPAC international Symposium on Polymer Networks (10th) Held in Jerusalem on 20-25 May 1990. Programme and Abstracts

    DTIC Science & Technology

    1990-05-25

    INCLUDING ORIENTATIONAL INTERACTIONS BETWEEN CHAIN SEGMENTS B. Deloche, E.T. Samulski (France, USA) CHAIN SEGMENT ORDERING IN STRAINED BIMODAL P-2 PDMS...theory of elastomers is difficult because it requires a detailed study of many body interactions . A theory of elasticity must address the following: (1...a Kirchhoff matrix which describes the connectivity of the network (Kc) or the linear chains (Ku). The nonbonded interactions are handled with the

  9. Cross-Linker Unbinding and Self-Similarity in Bundled Cytoskeletal Networks

    NASA Astrophysics Data System (ADS)

    Lieleg, O.; Bausch, A. R.

    2007-10-01

    The macromechanical properties of purely bundled in vitro actin networks are not only determined by the micromechanical properties of individual bundles but also by molecular unbinding events of the actin-binding protein (ABP) fascin. Under high mechanical load the network elasticity depends on the forced unbinding of individual ABPs in a rate dependent manner. Cross-linker unbinding in combination with the structural self-similarity of the network enables the introduction of a concentration-time superposition principle—broadening the mechanically accessible frequency range over 8 orders of magnitude.

  10. Why glass elasticity affects the thermodynamics and fragility of supercooled liquids

    PubMed Central

    Yan, Le; Düring, Gustavo; Wyart, Matthieu

    2013-01-01

    Supercooled liquids are characterized by their fragility: The slowing down of the dynamics under cooling is more sudden and the jump of specific heat at the glass transition is generally larger in fragile liquids than in strong ones. Despite the importance of this quantity in classifying liquids, explaining what aspects of the microscopic structure controls fragility remains a challenge. Surprisingly, experiments indicate that the linear elasticity of the glass—a purely local property of the free energy landscape—is a good predictor of fragility. In particular, materials presenting a large excess of soft elastic modes, the so-called boson peak, are strong. This is also the case for network liquids near the rigidity percolation, known to affect elasticity. Here we introduce a model of the glass transition based on the assumption that particles can organize locally into distinct configurations that are coupled spatially via elasticity. The model captures the mentioned observations connecting elasticity and fragility. We find that materials presenting an abundance of soft elastic modes have little elastic frustration: Energy is insensitive to most directions in phase space, leading to a small jump of specific heat. In this framework strong liquids turn out to lie the closest to a critical point associated with a rigidity or jamming transition, and their thermodynamic properties are related to the problem of number partitioning and to Hopfield nets in the limit of small memory. PMID:23576746

  11. Why glass elasticity affects the thermodynamics and fragility of supercooled liquids.

    PubMed

    Yan, Le; Düring, Gustavo; Wyart, Matthieu

    2013-04-16

    Supercooled liquids are characterized by their fragility: The slowing down of the dynamics under cooling is more sudden and the jump of specific heat at the glass transition is generally larger in fragile liquids than in strong ones. Despite the importance of this quantity in classifying liquids, explaining what aspects of the microscopic structure controls fragility remains a challenge. Surprisingly, experiments indicate that the linear elasticity of the glass--a purely local property of the free energy landscape--is a good predictor of fragility. In particular, materials presenting a large excess of soft elastic modes, the so-called boson peak, are strong. This is also the case for network liquids near the rigidity percolation, known to affect elasticity. Here we introduce a model of the glass transition based on the assumption that particles can organize locally into distinct configurations that are coupled spatially via elasticity. The model captures the mentioned observations connecting elasticity and fragility. We find that materials presenting an abundance of soft elastic modes have little elastic frustration: Energy is insensitive to most directions in phase space, leading to a small jump of specific heat. In this framework strong liquids turn out to lie the closest to a critical point associated with a rigidity or jamming transition, and their thermodynamic properties are related to the problem of number partitioning and to Hopfield nets in the limit of small memory.

  12. Cymatics for the cloaking of flexural vibrations in a structured plate

    PubMed Central

    Misseroni, D.; Colquitt, D. J.; Movchan, A. B.; Movchan, N. V.; Jones, I. S.

    2016-01-01

    Based on rigorous theoretical findings, we present a proof-of-concept design for a structured square cloak enclosing a void in an elastic lattice. We implement high-precision fabrication and experimental testing of an elastic invisibility cloak for flexural waves in a mechanical lattice. This is accompanied by verifications and numerical modelling performed through finite element simulations. The primary advantage of our square lattice cloak, over other designs, is the straightforward implementation and the ease of construction. The elastic lattice cloak, implemented experimentally, shows high efficiency. PMID:27068339

  13. Modal analysis for Liapunov stability of rotating elastic bodies. Ph.D. Thesis. Final Report

    NASA Technical Reports Server (NTRS)

    Colin, A. D.

    1973-01-01

    This study consisted of four parallel efforts: (1) modal analyses of elastic continua for Liapunov stability analysis of flexible spacecraft; (2) development of general purpose simulation equations for arbitrary spacecraft; (3) evaluation of alternative mathematical models for elastic components of spacecraft; and (4) examination of the influence of vehicle flexibility on spacecraft attitude control system performance. A complete record is given of achievements under tasks (1) and (3), in the form of technical appendices, and a summary description of progress under tasks two and four.

  14. Elastic properties of rigid fiber-reinforced composites

    NASA Astrophysics Data System (ADS)

    Chen, J.; Thorpe, M. F.; Davis, L. C.

    1995-05-01

    We study the elastic properties of rigid fiber-reinforced composites with perfect bonding between fibers and matrix, and also with sliding boundary conditions. In the dilute region, there exists an exact analytical solution. Around the rigidity threshold we find the elastic moduli and Poisson's ratio by decomposing the deformation into a compression mode and a rotation mode. For perfect bonding, both modes are important, whereas only the compression mode is operative for sliding boundary conditions. We employ the digital-image-based method and a finite element analysis to perform computer simulations which confirm our analytical predictions.

  15. The Development of A Squeeze Film Damper Parametric Model in the Context of a Fluid-structural Interaction Task

    NASA Astrophysics Data System (ADS)

    Novikov, Dmitrii K.; Diligenskii, Dmitrii S.

    2018-01-01

    The article considers the work of some squeeze film damper with elastic rings parts. This type of damper is widely used in gas turbine engines supports. Nevertheless, modern analytical solutions have a number of limitations. The article considers the behavior of simple hydrodynamic damping systems. It describes the analysis of fluid-solid interaction simulation applicability for the defying properties of hydrodynamic damper with elastic rings (“allison ring”). There are some recommendations on the fluid structural interaction analysis of the hydrodynamic damper with elastic rings.

  16. Normal modes of weak colloidal gels

    NASA Astrophysics Data System (ADS)

    Varga, Zsigmond; Swan, James W.

    2018-01-01

    The normal modes and relaxation rates of weak colloidal gels are investigated in calculations using different models of the hydrodynamic interactions between suspended particles. The relaxation spectrum is computed for freely draining, Rotne-Prager-Yamakawa, and accelerated Stokesian dynamics approximations of the hydrodynamic mobility in a normal mode analysis of a harmonic network representing several colloidal gels. We find that the density of states and spatial structure of the normal modes are fundamentally altered by long-ranged hydrodynamic coupling among the particles. Short-ranged coupling due to hydrodynamic lubrication affects only the relaxation rates of short-wavelength modes. Hydrodynamic models accounting for long-ranged coupling exhibit a microscopic relaxation rate for each normal mode, λ that scales as l-2, where l is the spatial correlation length of the normal mode. For the freely draining approximation, which neglects long-ranged coupling, the microscopic relaxation rate scales as l-γ, where γ varies between three and two with increasing particle volume fraction. A simple phenomenological model of the internal elastic response to normal mode fluctuations is developed, which shows that long-ranged hydrodynamic interactions play a central role in the viscoelasticity of the gel network. Dynamic simulations of hard spheres that gel in response to short-ranged depletion attractions are used to test the applicability of the density of states predictions. For particle concentrations up to 30% by volume, the power law decay of the relaxation modulus in simulations accounting for long-ranged hydrodynamic interactions agrees with predictions generated by the density of states of the corresponding harmonic networks as well as experimental measurements. For higher volume fractions, excluded volume interactions dominate the stress response, and the prediction from the harmonic network density of states fails. Analogous to the Zimm model in polymer physics, our results indicate that long-ranged hydrodynamic interactions play a crucial role in determining the microscopic dynamics and macroscopic properties of weak colloidal gels.

  17. Elastic robot control - Nonlinear inversion and linear stabilization

    NASA Technical Reports Server (NTRS)

    Singh, S. N.; Schy, A. A.

    1986-01-01

    An approach to the control of elastic robot systems for space applications using inversion, servocompensation, and feedback stabilization is presented. For simplicity, a robot arm (PUMA type) with three rotational joints is considered. The third link is assumed to be elastic. Using an inversion algorithm, a nonlinear decoupling control law u(d) is derived such that in the closed-loop system independent control of joint angles by the three joint torquers is accomplished. For the stabilization of elastic oscillations, a linear feedback torquer control law u(s) is obtained applying linear quadratic optimization to the linearized arm model augmented with a servocompensator about the terminal state. Simulation results show that in spite of uncertainties in the payload and vehicle angular velocity, good joint angle control and damping of elastic oscillations are obtained with the torquer control law u = u(d) + u(s).

  18. Quantitative modeling of coupled piezo-elastodynamic behavior of piezoelectric actuators bonded to an elastic medium for structural health monitoring: a review.

    PubMed

    Huang, Guoliang; Song, Fei; Wang, Xiaodong

    2010-01-01

    Elastic waves, especially guided waves, generated by a piezoelectric actuator/sensor network, have shown great potential for on-line health monitoring of advanced aerospace, nuclear, and automotive structures in recent decades. Piezoelectric materials can function as both actuators and sensors in these applications due to wide bandwidth, quick response and low costs. One of the most fundamental issues surrounding the effective use of piezoelectric actuators is the quantitative evaluation of the resulting elastic wave propagation by considering the coupled piezo-elastodynamic behavior between the actuator and the host medium. Accurate characterization of the local interfacial stress distribution between the actuator and the host medium is the key issue for the problem. This paper presents a review of the development of analytical, numerical and hybrid approaches for modeling of the coupled piezo-elastodynamic behavior. The resulting elastic wave propagation for structural health monitoring is also summarized.

  19. Printable elastic conductors with a high conductivity for electronic textile applications

    PubMed Central

    Matsuhisa, Naoji; Kaltenbrunner, Martin; Yokota, Tomoyuki; Jinno, Hiroaki; Kuribara, Kazunori; Sekitani, Tsuyoshi; Someya, Takao

    2015-01-01

    The development of advanced flexible large-area electronics such as flexible displays and sensors will thrive on engineered functional ink formulations for printed electronics where the spontaneous arrangement of molecules aids the printing processes. Here we report a printable elastic conductor with a high initial conductivity of 738 S cm−1 and a record high conductivity of 182 S cm−1 when stretched to 215% strain. The elastic conductor ink is comprised of Ag flakes, a fluorine rubber and a fluorine surfactant. The fluorine surfactant constitutes a key component which directs the formation of surface-localized conductive networks in the printed elastic conductor, leading to a high conductivity and stretchability. We demonstrate the feasibility of our inks by fabricating a stretchable organic transistor active matrix on a rubbery stretchability-gradient substrate with unimpaired functionality when stretched to 110%, and a wearable electromyogram sensor printed onto a textile garment. PMID:26109453

  20. Postbuckling of magneto-electro-elastic CNT-MT composite nanotubes resting on a nonlinear elastic medium in a non-uniform thermal environment

    NASA Astrophysics Data System (ADS)

    Kamali, M.; Shamsi, M.; Saidi, A. R.

    2018-03-01

    As a first endeavor, the effect of nonlinear elastic foundation on the postbuckling behavior of smart magneto-electro-elastic (MEE) composite nanotubes is investigated. The composite nanotube is affected by a non-uniform thermal environment. A typical MEE composite nanotube consists of microtubules (MTs) and carbon nanotubes (CNTs) with a MEE cylindrical nanoshell for smart control. It is assumed that the nanoscale layers of the system are coupled by a polymer matrix or filament network depending on the application. In addition to thermal loads, magneto-electro-mechanical loads are applied to the composite nanostructure. Length scale effects are taken into account using the nonlocal elasticity theory. The principle of virtual work and von Karman's relations are used to derive the nonlinear governing differential equations of MEE CNT-MT nanotubes. Using Galerkin's method, nonlinear critical buckling loads are determined. Various types of non-uniform temperature distribution in the radial direction are considered. Finally, the effects of various parameters such as the nonlinear constant of elastic medium, thermal loading factor and small scale coefficient on the postbuckling of MEE CNT-MT nanotubes are studied.

  1. Vibration control by limiting the maximum axial forces in space trusses

    NASA Technical Reports Server (NTRS)

    Chawla, Vikas; Utku, Senol; Wada, Ben K.

    1993-01-01

    Proposed here is a method of vibration control based on limiting the maximum axial forces in the active members of an adaptive truss. The actuators simulate elastic rigid-plastic behavior and consume the vibrational energy as work. The method is applicable to both statically determinate as well as indeterminate truss structures. However, for energy efficient control of statistically indeterminate trusses extra actuators may be provided on the redundant bars. An energy formulation relating the various control parameters is derived to get an estimate of the control time. Since the simulation of elastic rigid-plastic behavior requires a piecewise linear control law, a general analytical solution is not possible. Numerical simulation by step-by-step integration is performed to simulate the control of an example truss structure. The problems of application to statically indeterminate trusses and optimal actuator placement are identified for future work.

  2. Simulation of Earthquake-Generated Sea-Surface Deformation

    NASA Astrophysics Data System (ADS)

    Vogl, Chris; Leveque, Randy

    2016-11-01

    Earthquake-generated tsunamis can carry with them a powerful, destructive force. One of the most well-known, recent examples is the tsunami generated by the Tohoku earthquake, which was responsible for the nuclear disaster in Fukushima. Tsunami simulation and forecasting, a necessary element of emergency procedure planning and execution, is typically done using the shallow-water equations. A typical initial condition is that using the Okada solution for a homogeneous, elastic half-space. This work focuses on simulating earthquake-generated sea-surface deformations that are more true to the physics of the materials involved. In particular, a water layer is added on top of the half-space that models the seabed. Sea-surface deformations are then simulated using the Clawpack hyperbolic PDE package. Results from considering the water layer both as linearly elastic and as "nearly incompressible" are compared to that of the Okada solution.

  3. Elastic energy distribution in bi-material lithosphere: implications for shear zone formation

    NASA Astrophysics Data System (ADS)

    So, B.; Yuen, D. A.

    2013-12-01

    Shear instability in the lithosphere can cause mechanical rupturing such as slab detachment and deep focus earthquake. Recent studies reported that bi-material interface, which refers to sharp elastic modulus contrast, plays an important role in triggering the instability [So and Yuen et al., 2012, GJI]. In present study, we performed two-dimensional numerical simulations to investigate the distribution of thermal-mechanical energy within the bi-material lithosphere. Under the far-field constant compression exerted on the domain, a larger elastic energy is accumulated into the compliant part than stiff medium. For instance, the compliant part has two times greater elastic energy density than surrounding stiff part, when the elastic modulus contrast between two different parts is five. Although these elastic energies in both parts are conversed into thermal energies after plastic yielding, denser elastic energy in the compliant is released more efficiently. This leads to efficient strength weakening and the subsequent ductile shear zone in the compliant part. We propose that strong shear heating occurs in lithosphere with the bi-material interface due to locally non-uniform distribution of the energy around the interface.

  4. Acoustic, elastic and poroelastic simulations of CO2 sequestration crosswell monitoring based on spectral-element and adjoint methods

    NASA Astrophysics Data System (ADS)

    Morency, Christina; Luo, Yang; Tromp, Jeroen

    2011-05-01

    The key issues in CO2 sequestration involve accurate monitoring, from the injection stage to the prediction and verification of CO2 movement over time, for environmental considerations. '4-D seismics' is a natural non-intrusive monitoring technique which involves 3-D time-lapse seismic surveys. Successful monitoring of CO2 movement requires a proper description of the physical properties of a porous reservoir. We investigate the importance of poroelasticity by contrasting poroelastic simulations with elastic and acoustic simulations. Discrepancies highlight a poroelastic signature that cannot be captured using an elastic or acoustic theory and that may play a role in accurately imaging and quantifying injected CO2. We focus on time-lapse crosswell imaging and model updating based on Fréchet derivatives, or finite-frequency sensitivity kernels, which define the sensitivity of an observable to the model parameters. We compare results of time-lapse migration imaging using acoustic, elastic (with and without the use of Gassmann's formulae) and poroelastic models. Our approach highlights the influence of using different physical theories for interpreting seismic data, and, more importantly, for extracting the CO2 signature from seismic waveforms. We further investigate the differences between imaging with the direct compressional wave, as is commonly done, versus using both direct compressional (P) and shear (S) waves. We conclude that, unlike direct P-wave traveltimes, a combination of direct P- and S-wave traveltimes constrains most parameters. Adding P- and S-wave amplitude information does not drastically improve parameter sensitivity, but it does improve spatial resolution of the injected CO2 zone. The main advantage of using a poroelastic theory lies in direct sensitivity to fluid properties. Simulations are performed using a spectral-element method, and finite-frequency sensitivity kernels are calculated using an adjoint method.

  5. A model calculation of coherence effects in the elastic backscattering of very low energy electrons (1-20 eV) from amorphous ice.

    PubMed

    Liljequist, David

    2012-01-01

    Backscattering of very low energy electrons in thin layers of amorphous ice is known to provide experimental data for the elastic and inelastic cross sections and indicates values to be expected in liquid water. The extraction of cross sections was based on a transport analysis consistent with Monte Carlo simulation of electron trajectories. However, at electron energies below 20 eV, quantum coherence effects may be important and trajectory-based methods may be in significant error. This possibility is here investigated by calculating quantum multiple elastic scattering of electrons in a simple model of a very small, thin foil of amorphous ice. The average quantum multiple elastic scattering of electrons is calculated for a large number of simulated foils, using a point-scatterer model for the water molecule and taking inelastic absorption into account. The calculation is compared with a corresponding trajectory simulation. The difference between average quantum scattering and trajectory simulation at energies below about 20 eV is large, in particular in the forward scattering direction, and is found to be almost entirely due to coherence effects associated with the short-range order in the amorphous ice. For electrons backscattered at the experimental detection angle (45° relative to the surface normal) the difference is however small except at electron energies below about 10 eV. Although coherence effects are in general found to be strong, the mean free path values derived by trajectory-based analysis may actually be in fair agreement with the result of an analysis based on quantum scattering, at least for electron energies larger than about 10 eV.

  6. Mechanical metamaterials at the theoretical limit of isotropic elastic stiffness

    NASA Astrophysics Data System (ADS)

    Berger, J. B.; Wadley, H. N. G.; McMeeking, R. M.

    2017-02-01

    A wide variety of high-performance applications require materials for which shape control is maintained under substantial stress, and that have minimal density. Bio-inspired hexagonal and square honeycomb structures and lattice materials based on repeating unit cells composed of webs or trusses, when made from materials of high elastic stiffness and low density, represent some of the lightest, stiffest and strongest materials available today. Recent advances in 3D printing and automated assembly have enabled such complicated material geometries to be fabricated at low (and declining) cost. These mechanical metamaterials have properties that are a function of their mesoscale geometry as well as their constituents, leading to combinations of properties that are unobtainable in solid materials; however, a material geometry that achieves the theoretical upper bounds for isotropic elasticity and strain energy storage (the Hashin-Shtrikman upper bounds) has yet to be identified. Here we evaluate the manner in which strain energy distributes under load in a representative selection of material geometries, to identify the morphological features associated with high elastic performance. Using finite-element models, supported by analytical methods, and a heuristic optimization scheme, we identify a material geometry that achieves the Hashin-Shtrikman upper bounds on isotropic elastic stiffness. Previous work has focused on truss networks and anisotropic honeycombs, neither of which can achieve this theoretical limit. We find that stiff but well distributed networks of plates are required to transfer loads efficiently between neighbouring members. The resulting low-density mechanical metamaterials have many advantageous properties: their mesoscale geometry can facilitate large crushing strains with high energy absorption, optical bandgaps and mechanically tunable acoustic bandgaps, high thermal insulation, buoyancy, and fluid storage and transport. Our relatively simple design can be manufactured using origami-like sheet folding and bonding methods.

  7. Mechanical metamaterials at the theoretical limit of isotropic elastic stiffness.

    PubMed

    Berger, J B; Wadley, H N G; McMeeking, R M

    2017-03-23

    A wide variety of high-performance applications require materials for which shape control is maintained under substantial stress, and that have minimal density. Bio-inspired hexagonal and square honeycomb structures and lattice materials based on repeating unit cells composed of webs or trusses, when made from materials of high elastic stiffness and low density, represent some of the lightest, stiffest and strongest materials available today. Recent advances in 3D printing and automated assembly have enabled such complicated material geometries to be fabricated at low (and declining) cost. These mechanical metamaterials have properties that are a function of their mesoscale geometry as well as their constituents, leading to combinations of properties that are unobtainable in solid materials; however, a material geometry that achieves the theoretical upper bounds for isotropic elasticity and strain energy storage (the Hashin-Shtrikman upper bounds) has yet to be identified. Here we evaluate the manner in which strain energy distributes under load in a representative selection of material geometries, to identify the morphological features associated with high elastic performance. Using finite-element models, supported by analytical methods, and a heuristic optimization scheme, we identify a material geometry that achieves the Hashin-Shtrikman upper bounds on isotropic elastic stiffness. Previous work has focused on truss networks and anisotropic honeycombs, neither of which can achieve this theoretical limit. We find that stiff but well distributed networks of plates are required to transfer loads efficiently between neighbouring members. The resulting low-density mechanical metamaterials have many advantageous properties: their mesoscale geometry can facilitate large crushing strains with high energy absorption, optical bandgaps and mechanically tunable acoustic bandgaps, high thermal insulation, buoyancy, and fluid storage and transport. Our relatively simple design can be manufactured using origami-like sheet folding and bonding methods.

  8. Fast algorithms for evaluating the stress field of dislocation lines in anisotropic elastic media

    NASA Astrophysics Data System (ADS)

    Chen, C.; Aubry, S.; Oppelstrup, T.; Arsenlis, A.; Darve, E.

    2018-06-01

    In dislocation dynamics (DD) simulations, the most computationally intensive step is the evaluation of the elastic interaction forces among dislocation ensembles. Because the pair-wise interaction between dislocations is long-range, this force calculation step can be significantly accelerated by the fast multipole method (FMM). We implemented and compared four different methods in isotropic and anisotropic elastic media: one based on the Taylor series expansion (Taylor FMM), one based on the spherical harmonics expansion (Spherical FMM), one kernel-independent method based on the Chebyshev interpolation (Chebyshev FMM), and a new kernel-independent method that we call the Lagrange FMM. The Taylor FMM is an existing method, used in ParaDiS, one of the most popular DD simulation softwares. The Spherical FMM employs a more compact multipole representation than the Taylor FMM does and is thus more efficient. However, both the Taylor FMM and the Spherical FMM are difficult to derive in anisotropic elastic media because the interaction force is complex and has no closed analytical formula. The Chebyshev FMM requires only being able to evaluate the interaction between dislocations and thus can be applied easily in anisotropic elastic media. But it has a relatively large memory footprint, which limits its usage. The Lagrange FMM was designed to be a memory-efficient black-box method. Various numerical experiments are presented to demonstrate the convergence and the scalability of the four methods.

  9. Random field assessment of nanoscopic inhomogeneity of bone.

    PubMed

    Dong, X Neil; Luo, Qing; Sparkman, Daniel M; Millwater, Harry R; Wang, Xiaodu

    2010-12-01

    Bone quality is significantly correlated with the inhomogeneous distribution of material and ultrastructural properties (e.g., modulus and mineralization) of the tissue. Current techniques for quantifying inhomogeneity consist of descriptive statistics such as mean, standard deviation and coefficient of variation. However, these parameters do not describe the spatial variations of bone properties. The objective of this study was to develop a novel statistical method to characterize and quantitatively describe the spatial variation of bone properties at ultrastructural levels. To do so, a random field defined by an exponential covariance function was used to represent the spatial uncertainty of elastic modulus by delineating the correlation of the modulus at different locations in bone lamellae. The correlation length, a characteristic parameter of the covariance function, was employed to estimate the fluctuation of the elastic modulus in the random field. Using this approach, two distribution maps of the elastic modulus within bone lamellae were generated using simulation and compared with those obtained experimentally by a combination of atomic force microscopy and nanoindentation techniques. The simulation-generated maps of elastic modulus were in close agreement with the experimental ones, thus validating the random field approach in defining the inhomogeneity of elastic modulus in lamellae of bone. Indeed, generation of such random fields will facilitate multi-scale modeling of bone in more pragmatic details. Copyright © 2010 Elsevier Inc. All rights reserved.

  10. Elastic Behavior and Platelet Retraction in Low- and High-Density Fibrin Gels

    PubMed Central

    Wufsus, Adam R.; Rana, Kuldeepsinh; Brown, Andrea; Dorgan, John R.; Liberatore, Matthew W.; Neeves, Keith B.

    2015-01-01

    Fibrin is a biopolymer that gives thrombi the mechanical strength to withstand the forces imparted on them by blood flow. Importantly, fibrin is highly extensible, but strain hardens at low deformation rates. The density of fibrin in clots, especially arterial clots, is higher than that in gels made at plasma concentrations of fibrinogen (3–10 mg/mL), where most rheology studies have been conducted. Our objective in this study was to measure and characterize the elastic regimes of low (3–10 mg/mL) and high (30–100 mg/mL) density fibrin gels using shear and extensional rheology. Confocal microscopy of the gels shows that fiber density increases with fibrinogen concentration. At low strains, fibrin gels act as thermal networks independent of fibrinogen concentration. Within the low-strain regime, one can predict the mesh size of fibrin gels by the elastic modulus using semiflexible polymer theory. Significantly, this provides a link between gel mechanics and interstitial fluid flow. At moderate strains, we find that low-density fibrin gels act as nonaffine mechanical networks and transition to affine mechanical networks with increasing strains within the moderate regime, whereas high-density fibrin gels only act as affine mechanical networks. At high strains, the backbone of individual fibrin fibers stretches for all fibrin gels. Platelets can retract low-density gels by >80% of their initial volumes, but retraction is attenuated in high-density fibrin gels and with decreasing platelet density. Taken together, these results show that the nature of fibrin deformation is a strong function of fibrin fiber density, which has ramifications for the growth, embolization, and lysis of thrombi. PMID:25564864

  11. Towards an Aero-Propulso-Servo-Elasticity Analysis of a Commercial Supersonic Transport

    NASA Technical Reports Server (NTRS)

    Connolly, Joseph W.; Kopasakis, George; Chwalowski, Pawel; Sanetrik, Mark D.; Carlson, Jan-Renee; Silva, Walt A.; McNamara, Jack

    2016-01-01

    This paper covers the development of an aero-propulso-servo-elastic (APSE) model using computational fluid dynamics (CFD) and linear structural deformations. The APSE model provides the integration of the following two previously developed nonlinear dynamic simulations: a variable cycle turbofan engine and an elastic supersonic commercial transport vehicle. The primary focus of this study is to provide a means to include relevant dynamics of a turbomachinery propulsion system into the aeroelastic studies conducted during a vehicle design, which have historically neglected propulsion effects. A high fidelity CFD tool is used here for the integration platform. The elastic vehicle neglecting the propulsion system serves as a comparison of traditional approaches to the APSE results. An overview of the methodology is presented for integrating the propulsion system and elastic vehicle. Static aeroelastic analysis comparisons between the traditional and developed APSE models for a wing tip detection indicate that the propulsion system impact on the vehicle elastic response could increase the detection by approximately ten percent.

  12. Mechanical Model Analysis for Quantitative Evaluation of Liver Fibrosis Based on Ultrasound Tissue Elasticity Imaging

    NASA Astrophysics Data System (ADS)

    Shiina, Tsuyoshi; Maki, Tomonori; Yamakawa, Makoto; Mitake, Tsuyoshi; Kudo, Masatoshi; Fujimoto, Kenji

    2012-07-01

    Precise evaluation of the stage of chronic hepatitis C with respect to fibrosis has become an important issue to prevent the occurrence of cirrhosis and to initiate appropriate therapeutic intervention such as viral eradication using interferon. Ultrasound tissue elasticity imaging, i.e., elastography can visualize tissue hardness/softness, and its clinical usefulness has been studied to detect and evaluate tumors. We have recently reported that the texture of elasticity image changes as fibrosis progresses. To evaluate fibrosis progression quantitatively on the basis of ultrasound tissue elasticity imaging, we introduced a mechanical model of fibrosis progression and simulated the process by which hepatic fibrosis affects elasticity images and compared the results with those clinical data analysis. As a result, it was confirmed that even in diffuse diseases like chronic hepatitis, the patterns of elasticity images are related to fibrous structural changes caused by hepatic disease and can be used to derive features for quantitative evaluation of fibrosis stage.

  13. AFM Investigation of Liquid-Filled Polymer Microcapsules Elasticity.

    PubMed

    Sarrazin, Baptiste; Tsapis, Nicolas; Mousnier, Ludivine; Taulier, Nicolas; Urbach, Wladimir; Guenoun, Patrick

    2016-05-10

    Elasticity of polymer microcapsules (MCs) filled with a liquid fluorinated core is studied by atomic force microscopy (AFM). Accurately characterized spherical tips are employed to obtain the Young's moduli of MCs having four different shell thicknesses. We show that those moduli are effective ones because the samples are composites. The strong decrease of the effective MC elasticity (from 3.0 to 0.1 GPa) as the shell thickness decreases (from 200 to 10 nm) is analyzed using a novel numerical approach. This model describes the evolution of the elasticity of a coated half-space according to the contact radius, the thickness of the film, and the elastic moduli of bulk materials. This numerical model is consistent with the experimental data and allows simulating the elastic behavior of MCs at high frequencies (5 MHz). While the quasi-static elasticity of the MCs is found to be very dependent on the shell thickness, the high frequency (5 MHz) elastic behavior of the core leads to a stable behavior of the MCs (from 2.5 to 3 GPa according to the shell thickness). Finally, the effect of thermal annealing on the MCs elasticity is investigated. The Young's modulus is found to decrease because of the reduction of the shell thickness due to the loss of the polymer.

  14. Surface Stresses and a Force Balance at a Contact Line.

    PubMed

    Liang, Heyi; Cao, Zhen; Wang, Zilu; Dobrynin, Andrey V

    2018-06-26

    Results of the coarse-grained molecular dynamics simulations are used to show that the force balance analysis at the triple-phase contact line formed at an elastic substrate has to include a quartet of forces: three surface tensions (surface free energies) and an elastic force per unit length. In the case of the contact line formed by a droplet on an elastic substrate an elastic force is due to substrate deformation generated by formation of the wetting ridge. The magnitude of this force f el is proportional to the product of the ridge height h and substrate shear modulus G. Similar elastic line force should be included in the force analysis at the triple-phase contact line of a solid particle in contact with an elastic substrate. For this contact problem elastic force obtained from contact angles and surface tensions is a sum of the elastic forces acting from the side of a solid particle and an elastic substrate. By considering only three line forces acting at the triple-phase contact line, one implicitly accounts the bulk stress contribution as a part of the resultant surface stresses. This "contamination" of the surface properties by a bulk contribution could lead to unphysically large values of the surface stresses in soft materials.

  15. Computer simulation of earthquakes

    NASA Technical Reports Server (NTRS)

    Cohen, S. C.

    1976-01-01

    Two computer simulation models of earthquakes were studied for the dependence of the pattern of events on the model assumptions and input parameters. Both models represent the seismically active region by mechanical blocks which are connected to one another and to a driving plate. The blocks slide on a friction surface. In the first model elastic forces were employed and time independent friction to simulate main shock events. The size, length, and time and place of event occurrence were influenced strongly by the magnitude and degree of homogeniety in the elastic and friction parameters of the fault region. Periodically reoccurring similar events were frequently observed in simulations with near homogeneous parameters along the fault, whereas, seismic gaps were a common feature of simulations employing large variations in the fault parameters. The second model incorporated viscoelastic forces and time-dependent friction to account for aftershock sequences. The periods between aftershock events increased with time and the aftershock region was confined to that which moved in the main event.

  16. The Elastic Body Model: A Pedagogical Approach Integrating Real Time Measurements and Modelling Activities

    ERIC Educational Resources Information Center

    Fazio, C.; Guastella, I.; Tarantino, G.

    2007-01-01

    In this paper, we describe a pedagogical approach to elastic body movement based on measurements of the contact times between a metallic rod and small bodies colliding with it and on modelling of the experimental results by using a microcomputer-based laboratory and simulation tools. The experiments and modelling activities have been built in the…

  17. Development of Advanced Life Prediction Tools for Elastic-Plastic Fatigue Crack Growth

    NASA Technical Reports Server (NTRS)

    Gregg, Wayne; McGill, Preston; Swanson, Greg; Wells, Doug; Throckmorton, D. A. (Technical Monitor)

    2001-01-01

    The objective of this viewgraph presentation is to develop a systematic approach to improving the fracture control process, including analytical tools, standards, guidelines, and awareness. Analytical tools specifically for elastic-plastic fracture analysis is a regime that is currently empirical for the Space Shuttle External Tank (ET) and is handled by simulated service testing of pre-cracked panels.

  18. Computer simulation of morphological evolution and rafting of {gamma}{prime} particles in Ni-based superalloys under applied stresses

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

    Li, D.Y.; Chen, L.Q.

    Mechanical properties of Ni-based superalloys are strongly affected by the morphology, distribution, and size of {gamma}{prime} precipitates in the {gamma} matrix. The main purpose of this paper is to propose a continuum field approach for modeling the morphology and rafting kinetics of coherent precipitates under applied stresses. This approach can be used to simulate the temporal evolution of arbitrary morphologies and microstructures without any a priori assumption. Recently, the authors applied this approach to the selected variant growth in Ni-Ti alloys under applied stresses using an inhomogeneous modulus approximation. For the {gamma}{prime} precipitates in Ni-based superalloys, the eigenstrain is dilatational,more » and hence the {gamma}{prime} morphological evolution can be affected by applied stresses only when the elastic modulus is inhomogeneous. In the present work, the elastic inhomogeneity was taken into account by reformulating a sharp-interface elasticity theory developed recently by Khachaturyan et al. in terms of diffuse interfaces. Although the present work is for a {gamma}{prime} {minus} {gamma} system, this model is general in a sense that it can be applied to other alloy systems containing coherent ordered intermetallic precipitates with elastic inhomogeneity.« less

  19. Analytic Intermodel Consistent Modeling of Volumetric Human Lung Dynamics.

    PubMed

    Ilegbusi, Olusegun; Seyfi, Behnaz; Neylon, John; Santhanam, Anand P

    2015-10-01

    Human lung undergoes breathing-induced deformation in the form of inhalation and exhalation. Modeling the dynamics is numerically complicated by the lack of information on lung elastic behavior and fluid-structure interactions between air and the tissue. A mathematical method is developed to integrate deformation results from a deformable image registration (DIR) and physics-based modeling approaches in order to represent consistent volumetric lung dynamics. The computational fluid dynamics (CFD) simulation assumes the lung is a poro-elastic medium with spatially distributed elastic property. Simulation is performed on a 3D lung geometry reconstructed from four-dimensional computed tomography (4DCT) dataset of a human subject. The heterogeneous Young's modulus (YM) is estimated from a linear elastic deformation model with the same lung geometry and 4D lung DIR. The deformation obtained from the CFD is then coupled with the displacement obtained from the 4D lung DIR by means of the Tikhonov regularization (TR) algorithm. The numerical results include 4DCT registration, CFD, and optimal displacement data which collectively provide consistent estimate of the volumetric lung dynamics. The fusion method is validated by comparing the optimal displacement with the results obtained from the 4DCT registration.

  20. Equations of motion of slung load systems with results for dual lift

    NASA Technical Reports Server (NTRS)

    Cicolani, Luigi S.; Kanning, Gerd

    1990-01-01

    General simulation equations are derived for the rigid body motion of slung load systems. These systems are viewed as consisting of several rigid bodies connected by straight-line cables or links. The suspension can be assumed to be elastic or inelastic, both cases being of interest in simulation and control studies. Equations for the general system are obtained via D'Alembert's principle and the introduction of generalized velocity coordinates. Three forms are obtained. Two of these generalize previous case-specific results for single helicopter systems with elastic or inelastic suspensions. The third is a new formulation for inelastic suspensions. It is derived from the elastic suspension equations by choosing the generalized coordinates so as to separate motion due to cable stretching from motion with invariant cable lengths. The result is computationally more efficient than the conventional formulation, and is readily integrated with the elastic suspension formulation and readily applied to the complex dual lift and multilift systems. Equations are derived for dual lift systems. Three proposed suspension arrangements can be integrated in a single equation set. The equations are given in terms of the natural vectors and matrices of three-dimensional rigid body mechanics and are tractable for both analysis and programming.

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