Micromechanical Failure Analyses for Finite Element Polymer Modeling
Energy Technology Data Exchange (ETDEWEB)
CHAMBERS,ROBERT S.; REEDY JR.,EARL DAVID; LO,CHI S.; ADOLF,DOUGLAS B.; GUESS,TOMMY R.
2000-11-01
Polymer stresses around sharp corners and in constrained geometries of encapsulated components can generate cracks leading to system failures. Often, analysts use maximum stresses as a qualitative indicator for evaluating the strength of encapsulated component designs. Although this approach has been useful for making relative comparisons screening prospective design changes, it has not been tied quantitatively to failure. Accurate failure models are needed for analyses to predict whether encapsulated components meet life cycle requirements. With Sandia's recently developed nonlinear viscoelastic polymer models, it has been possible to examine more accurately the local stress-strain distributions in zones of likely failure initiation looking for physically based failure mechanisms and continuum metrics that correlate with the cohesive failure event. This study has identified significant differences between rubbery and glassy failure mechanisms that suggest reasonable alternatives for cohesive failure criteria and metrics. Rubbery failure seems best characterized by the mechanisms of finite extensibility and appears to correlate with maximum strain predictions. Glassy failure, however, seems driven by cavitation and correlates with the maximum hydrostatic tension. Using these metrics, two three-point bending geometries were tested and analyzed under variable loading rates, different temperatures and comparable mesh resolution (i.e., accuracy) to make quantitative failure predictions. The resulting predictions and observations agreed well suggesting the need for additional research. In a separate, additional study, the asymptotically singular stress state found at the tip of a rigid, square inclusion embedded within a thin, linear elastic disk was determined for uniform cooling. The singular stress field is characterized by a single stress intensity factor K{sub a} and the applicable K{sub a} calibration relationship has been determined for both fully bonded and
DEFF Research Database (Denmark)
Fasano, Andrea; Rasmussen, Henrik K.; Marín, J. M. R.
2015-01-01
The process of drawing an optical fiber from a polymer preform is still not completely understood,although it represents one of the most critical steps in the process chain for the fabrication of microstructuredpolymer optical fibers (mPOFs). Here we present a new approach for the numerical...... modelling of the fiber drawingprocess using a fully three-dimensional and time-dependent finite element method, giving significant insightinto this widely spread mPOF production technique. Our computational predictions are physically based on theviscoelastic fluid dynamics of polymers. Until now...
Energy Technology Data Exchange (ETDEWEB)
Qi, M.; Wegner, J.; Ganzer, L. [Technische Univ. Clausthal, Clausthal-Zellerfeld (Germany). ITE
2013-08-01
Polymer flooding, as an EOR method, has become one of the most important driving forces after water flooding. The conventional believe is that polymer flooding can only improve sweep efficiency, but it has no contribution to residual oil saturation reduction. However, experimental studies indicated that polymer solution can also improve displacement efficiency and decrease residual oil saturation. To get a better understanding of the mechanism to increase the microscopic sweep efficiency and the displacement efficiency, theoretical studies are required. In this paper, we studied the viscoelasticity effect of polymer by using a numerical simulator, which is based on Finite Element Analysis. Since it is showed experimentally that the first normal stress difference of viscoelastic polymer solution is higher than the second stress difference, the Oldroyd-B model was selected as the constitutive equation in the simulation. Numerical modelling of Oldroyd-B viscoelastic fluids is notoriously difficult. Standard Galerkin finite element methods are prone to numerical oscillations, and there is no convergence as the elasticity of fluid increases. Therefore, we use a stabilised finite element model. In order to verify our model, we first built up a model with the same geometry and fluid properties as presented in literature and compared the results. Then, with the tested model we simulated the effect of viscoelastic polymer fluid on dead pores in three simplified pore structures, which are contraction structure, expansion structure and expansion-contraction structure. Correspondingly, the streamlines and velocity contours of polymer solution, with different Reynolds numbers (Re) and Weissenberg numbers (We), flowing in these three structures are showed. The simulation results indicate that the viscoelasticity of polymer solution is the main contribution to increase the micro-scale sweep efficiency. With higher elasticity, the velocity of polymer solution is getting bigger at
Finite element modeling of the electromechanical coupling in ionic polymer transducers
Akle, Barbar; Habchi, Wassim; Wallmersperger, Thomas; Leo, Donald
2010-04-01
Several researchers are actively studying Ionomeric polymer transducers (IPT) as a large strain low voltage Electro- Active Polymer (EAP) actuator. EAPs are devices that do not contain any moving parts leading to a potential large life time. Furthermore, they are light weight and flexible. An IPT is made of an ion saturated polymer usually Nafion, sandwiched between two electrodes made of a mixture of Nafion and electrically conductive particles usually RuO2 or platinum. Nafion is an acid membrane in which the cations are mobile while the anions are covalently fixed to the polymer structure. Upon the application of an electric potential on the order of 2V at the electrodes the mobile positive ions migrate towards the cathode leading to bending strains in the order of 5%. Our earlier studies demonstrate that the cations develop thin boundary layers around the electrode. Later developments in this finite element model captured the importance of adding particles in the electrode. This study presents the electromechanical coupling in ionic polymer transducers. Since all our earlier models were restricted to the electro-chemical part, here we will introduce the chemomechanical coupling. This coupling is performed based on previous studies (Akle and Leo) in which the authors experimentally showed that the mechanical strain in IPTs is proportional to a linear term and a quadratic term of the charge accumulated at the electrode. The values of the linear and quadratic terms are extracted from experimental data.
International Nuclear Information System (INIS)
Krecinic, F; Duc, T Chu; Sarro, P M; Lau, G K
2008-01-01
This paper presents simulation and experimental characterization of an electro-thermally actuated micro gripper. This micro actuator can conceptually be seen as a bi-morph structure of SU-8 and silicon, actuated by thermal expansion of the polymer. The polymer micro gripper with an embedded comb-like silicon skeleton is designed to reduce unwanted out-of-plane bending of the actuator, while offering a large gripper stroke. The temperature and displacement field of the micro gripper structure is determined using a two-dimensional finite element analysis. This analysis is compared to experimental data from steady-state and transient measurements of the integrated heater resistance, which depends on the average temperature of the actuator. The stability of the polymer actuator is evaluated by recording the transient behaviour of the actual jaw displacements. The maximum single jaw displacement of this micro gripper design is 34 µm at a driving voltage of 4 V and an average actuator temperature of 170 °C. The transient thermal response is modelled by a first-order system with a characteristic time constant of 11.1 ms. The simulated force capability of the device is 0.57 mN per µm jaw displacement
Alberich-Bayarri, Angel; Moratal, David; Ivirico, Jorge L Escobar; Rodríguez Hernández, José C; Vallés-Lluch, Ana; Martí-Bonmatí, Luis; Estellés, Jorge Más; Mano, Joao F; Pradas, Manuel Monleón; Ribelles, José L Gómez; Salmerón-Sánchez, Manuel
2009-10-01
Detailed knowledge of the porous architecture of synthetic scaffolds for tissue engineering, their mechanical properties, and their interrelationship was obtained in a nondestructive manner. Image analysis of microcomputed tomography (microCT) sections of different scaffolds was done. The three-dimensional (3D) reconstruction of the scaffold allows one to quantify scaffold porosity, including pore size, pore distribution, and struts' thickness. The porous morphology and porosity as calculated from microCT by image analysis agrees with that obtained experimentally by scanning electron microscopy and physically measured porosity, respectively. Furthermore, the mechanical properties of the scaffold were evaluated by making use of finite element modeling (FEM) in which the compression stress-strain test is simulated on the 3D structure reconstructed from the microCT sections. Elastic modulus as calculated from FEM is in agreement with those obtained from the stress-strain experimental test. The method was applied on qualitatively different porous structures (interconnected channels and spheres) with different chemical compositions (that lead to different elastic modulus of the base material) suitable for tissue regeneration. The elastic properties of the constructs are explained on the basis of the FEM model that supports the main mechanical conclusion of the experimental results: the elastic modulus does not depend on the geometric characteristics of the pore (pore size, interconnection throat size) but only on the total porosity of the scaffold. (c) 2009 Wiley Periodicals, Inc.
Martin, Heiner; Guthoff, Rudolf; Schmitz, Klaus-Peter
2011-09-01
Polymer injection into the capsular bag after phakoemulsification is an interesting and promising approach to lens surgery. Safe clinical application of this technique will require an appropriate estimate of the effect of implantation variables on the lens power. This article details the results of finite element investigations into the effects of the injected polymer volume and capsular bag contraction on the resultant lens power and accommodation amplitude. An axisymmetric finite element model was created from literature sources. Polymer injection and the capsular contraction were simulated, and their effect on the lens power was calculated. The simulations show that overfilling during polymer injection leads to a refractive power increase of the lens. Capsular bag contraction also results in a power increase. The calculated accommodative amplitude of the lens is minimally affected by capsular bag contraction but decreases significantly with increased capsular bag stiffness as a result of fibrosis. © 2010 The Authors. Journal compilation © 2010 Acta Ophthalmol.
Modelling anisotropic water transport in polymer composite ...
Indian Academy of Sciences (India)
Parameters for Fickian diffusion and polymer relaxation models were determined by .... Water transport process of resin and polymer composite specimens at ..... simulation. ... Kwon Y W and Bang H 1997 Finite element method using matlab.
A Finite Element Model of a White-Metzner Viscoelastic Polymer Extrudate.
1981-02-01
for Va as: Forward Difference: ail~ a WiX + Yl Jjxf + 2 1 jijX 2 + 1 32a~i jAy2 + 0i,j+l = i~j + Da~Ax 1 92a iA*2+ 1 32a *2 ’T -a .Ax + 75. h...and gyro element coincide, and 5. The rotor bearing structure is rigid. For a platform stabilized single degree of freedom gyro, these assumptions lead
Delocalization in polymer models
Jitomirskaya, S Yu; Stolz, G
2003-01-01
A polymer model is a one-dimensional Schroedinger operator composed of two finite building blocks. If the two associated transfer matrices commute, the corresponding energy is called critical. Such critical energies appear in physical models, an example being the widely studied random dimer model. Although the random models are known to have pure-point spectrum with exponentially localized eigenstates for almost every configuration of the polymers, the spreading of an initially localized wave packet is here proven to be at least diffusive for every configuration.
Yu, Cong; Malakpoor, Kamyar; Huyghe, Jacques M.
2018-01-01
A hydrogel is a cross-linked polymer network with water as solvent. Industrially widely used superabsorbent polymers (SAP) are partially neutralized sodium polyacrylate hydrogels. The extremely large degree of swelling is one of the most distinctive characteristics of such hydrogels, as the volume
Stochastic Models of Polymer Systems
2016-01-01
Distribution Unlimited Final Report: Stochastic Models of Polymer Systems The views, opinions and/or findings contained in this report are those of the...ADDRESS. Princeton University PO Box 0036 87 Prospect Avenue - 2nd floor Princeton, NJ 08544 -2020 14-Mar-2014 ABSTRACT Number of Papers published in...peer-reviewed journals: Number of Papers published in non peer-reviewed journals: Final Report: Stochastic Models of Polymer Systems Report Title
Machining of Machine Elements Made of Polymer Composite Materials
Baurova, N. I.; Makarov, K. A.
2017-12-01
The machining of the machine elements that are made of polymer composite materials (PCMs) or are repaired using them is considered. Turning, milling, and drilling are shown to be most widely used among all methods of cutting PCMs. Cutting conditions for the machining of PCMs are presented. The factors that most strongly affect the roughness parameters and the accuracy of cutting PCMs are considered.
Finite element analysis of Polymer reinforced CRC columns under close-in detonation
DEFF Research Database (Denmark)
Riisgaard, Benjamin
2007-01-01
Polymer reinforced Compact Reinforced Composite, PCRC, is a Fiber reinforced Densified Small Particle system, FDSP, combined with a high strength longitudinal flexural rebar arrangement laced together with polymer lacing to avoid shock initiated disintegration of the structural element under blast...... load. Experimental and numerical results of two PCRC columns subjected to close-in detonation are presented in this paper. Additionally, a LS-DYNA material model suitable for predicting the response of Polymer reinforced Compact Reinforced Concrete improved for close-in detonation and a description...
International Nuclear Information System (INIS)
Tonks, M.R.; Williamson, R.; Masson, R.
2015-01-01
The Finite Element Method (FEM) is a numerical technique for finding approximate solutions to boundary value problems. While FEM is commonly used to solve solid mechanics equations, it can be applied to a large range of BVPs from many different fields. FEM has been used for reactor fuels modelling for many years. It is most often used for fuel performance modelling at the pellet and pin scale, however, it has also been used to investigate properties of the fuel material, such as thermal conductivity and fission gas release. Recently, the United Stated Department Nuclear Energy Advanced Modelling and Simulation Program has begun using FEM as the basis of the MOOSE-BISON-MARMOT Project that is developing a multi-dimensional, multi-physics fuel performance capability that is massively parallel and will use multi-scale material models to provide a truly predictive modelling capability. (authors)
Hybrid energy harvesting systems, using piezoelectric elements and dielectric polymers
Cornogolub, Alexandru; Cottinet, Pierre-Jean; Petit, Lionel
2016-09-01
Interest in energy harvesting applications has increased a lot during recent years. This is especially true for systems using electroactive materials like dielectric polymers or piezoelectric materials. Unfortunately, these materials despite multiple advantages, present some important drawbacks. For example, many dielectric polymers demonstrated high energy densities; they are cheap, easy to process and can be easily integrated in many different structures. But at the same time, dielectric polymer generators require an external energy supply which could greatly compromise their autonomy. Piezoelectric systems, on the other hand, are completely autonomous and can be easily miniaturized. However, most common piezoelectric materials present a high rigidity and are brittle by nature and therefore their integration could be difficult. This paper investigates the possibility of using hybrid systems combining piezoelectric elements and dielectric polymers for mechanical energy harvesting applications and it is focused mainly on the problem of electrical energy transfer. Our objective is to show that such systems can be interesting and that it is possible to benefit from the advantages of both materials. For this, different configurations were considered and the problem of their optimization was addressed. The experimental work enabled us to prove the concept and identify the main practical limitations.
Energy Technology Data Exchange (ETDEWEB)
Morris, J; Johnson, S
2007-12-03
The Distinct Element Method (also frequently referred to as the Discrete Element Method) (DEM) is a Lagrangian numerical technique where the computational domain consists of discrete solid elements which interact via compliant contacts. This can be contrasted with Finite Element Methods where the computational domain is assumed to represent a continuum (although many modern implementations of the FEM can accommodate some Distinct Element capabilities). Often the terms Discrete Element Method and Distinct Element Method are used interchangeably in the literature, although Cundall and Hart (1992) suggested that Discrete Element Methods should be a more inclusive term covering Distinct Element Methods, Displacement Discontinuity Analysis and Modal Methods. In this work, DEM specifically refers to the Distinct Element Method, where the discrete elements interact via compliant contacts, in contrast with Displacement Discontinuity Analysis where the contacts are rigid and all compliance is taken up by the adjacent intact material.
Modelling anisotropic water transport in polymer composite
Indian Academy of Sciences (India)
This work reports anisotropic water transport in a polymer composite consisting of an epoxy matrix reinforced with aligned triangular bars made of vinyl ester. By gravimetric experiments, water diffusion in resin and polymer composites were characterized. Parameters for Fickian diffusion and polymer relaxation models were ...
Lee, Jee-Ho; Han, Hyung-Seop; Kim, Yu-Chan; Lee, Jin-Yong; Lee, Bu-Kyu
2017-10-01
Mg-Ca-Zn alloy has been suggested for the application of fixation materials during maxillofacial surgery. We investigated the stability of Mg-Ca-Zn alloy for clinical application during orthognathic surgery. The finite element model for the fixation of sagittal split ramus osteotomy was constructed. In the bicortical screw fixation of the mandible setback condition, the stress distributions of Mg-Ca-Za alloy, polylactic acid polymer, and titanium were evaluated using the virtual model with occlusal loading of 132 N. The deformations of the three different materials of fixation screw were observed according to masticatory force ranging from 132 to 1,000 N. When comparing the stress distribution placed on cortical bone between the polymer and magnesium alloy groups, the magnesium alloy screws could bear more stress, thereby decreasing the stress, which might be distributed to other biologic components, such as the condyle and cortical ramus of the mandible. Deformations of the screws according to functional load were minimal, and the deformation remained stability of sagittal split ramus osteotomy setback surgery. Copyright © 2017. Published by Elsevier Ltd.
Sulfur polymer cement stabilization of elemental mercury mixed waste
International Nuclear Information System (INIS)
Melamed, D.; Fuhrmann, M.; Kalb, P.; Patel, B.
1998-04-01
Elemental mercury, contaminated with radionuclides, is a problem throughout the Department of Energy (DOE) complex. This report describes the development and testing of a process to immobilize elemental mercury, contaminated with radionuclides, in a form that is non-dispersible, will meet EPA leaching criteria, and has low mercury vapor pressure. In this stabilization and solidification process (patent pending) elemental mercury is mixed with an excess of powdered sulfur polymer cement (SPC) and additives in a vessel and heated to ∼35 C, for several hours, until all of the mercury is converted into mercuric sulfide (HgS). Additional SPC is then added and the mixture raised to 135 C, resulting in a homogeneous molten liquid which is poured into a suitable mold where is cools and solidifies. The final stabilized and solidified waste forms were characterized by powder X-ray diffraction, as well as tested for leaching behavior and mercury vapor pressure. During this study the authors have processed the entire inventory of mixed mercury waste stored at Brookhaven National Laboratory (BNL)
International Nuclear Information System (INIS)
Thylander, Sara; Menzel, Andreas; Ristinmaa, Matti
2012-01-01
The number of industrial applications of electroactive polymers (EAPs) is increasing and, consequently, the need for reliable modelling frameworks for such materials as well as related robust simulation techniques continuously increases. In this context, we combine the modelling of non-linear electroelasticity with a computational micro-sphere formulation in order to simulate the behaviour of EAPs. The micro-sphere approach in general enables the use of physics-based constitutive models like, for instance, the so-called worm-like chain model. By means of the micro-sphere formulation, scalar-valued micromechanical constitutive relations can conveniently be extended to a three-dimensional continuum setting. We discuss several electromechanically coupled numerical examples and make use of the finite element method to solve inhomogeneous boundary value problems. The incorporated material parameters are referred to experimental data for an electrostrictive polymer. The numerical examples show that the coupled micro-sphere formulation combined with the finite element method results in physically sound simulations that mimic the behaviour of an electrostrictive polymer. (paper)
International Nuclear Information System (INIS)
Bozoki, E.
1987-01-01
There is burgeoning interest in modeling-based accelerator control. With more and more stringent requirements on the performance, the importance of knowing, controlling, predicting the behavior of the accelerator system is growing. Modeling means two things: (1) the development of programs and data which predict the outcome of a measurement, and (2) devising and performing measurements to find the machine physics parameter and their behavior under different conditions. These two sides should be tied together in an iterative process. With knowledge gained on the real system, the model will be modified, calibrated, and fine-tuned. The model of a system consists of data and the modeling program. The Modeling Based Control Programs (MBC) should in the on-line mode control, optimize, and correct the machine. In the off-line mode, the MBC is used to simulate the machine as well as explore and study its behavior and responses under a wide variety of circumstances. 15 refs., 3 figs
International Nuclear Information System (INIS)
Kang, Sung Soo
2013-01-01
Ionic polymer actuators have recently attracted a great deal of interest as electroactive materials with potentials as soft actuators, sensors, artificial muscles, robotics, and microelectromechanical systems because of their numerous advantages, including low voltage requirement, high compliance, lightness, and flexibility. The platinum-plated Nafion, a perfluorosulfonic acid membrane made by Dupont, is commonly used as a polyelectrolyte in actuator applications. The bending of the ionic polymer actuators in an electric field is dominated by the electro-osmosis of hydrated ions and slow diffusion of free water molecules. The changes in hydration cause a local volumetric strain resulting in bending deformation, such as expansion and contraction. In this study, a two-dimensional finite element (FE) formulation based on the Galerkin method is derived for the governing equations describing these electrochemical responses. In addition, a three-dimensional FE deformation analysis is conducted on the bending behaviors of the platinum-plated ionic polymer actuators. Several numerical studies for ionic polymer actuators, such as plates with various electrode arrangements and disk models in electric field, are performed to confirm the validity of the proposed formulation.
Physical model of Nernst element
International Nuclear Information System (INIS)
Nakamura, Hiroaki; Ikeda, Kazuaki; Yamaguchi, Satarou
1998-08-01
Generation of electric power by the Nernst effect is a new application of a semiconductor. A key point of this proposal is to find materials with a high thermomagnetic figure-of-merit, which are called Nernst elements. In order to find candidates of the Nernst element, a physical model to describe its transport phenomena is needed. As the first model, we began with a parabolic two-band model in classical statistics. According to this model, we selected InSb as candidates of the Nernst element and measured their transport coefficients in magnetic fields up to 4 Tesla within a temperature region from 270 K to 330 K. In this region, we calculated transport coefficients numerically by our physical model. For InSb, experimental data are coincident with theoretical values in strong magnetic field. (author)
Systematic comparison of model polymer nanocomposite mechanics.
Xiao, Senbo; Peter, Christine; Kremer, Kurt
2016-09-13
Polymer nanocomposites render a range of outstanding materials from natural products such as silk, sea shells and bones, to synthesized nanoclay or carbon nanotube reinforced polymer systems. In contrast to the fast expanding interest in this type of material, the fundamental mechanisms of their mixing, phase behavior and reinforcement, especially for higher nanoparticle content as relevant for bio-inorganic composites, are still not fully understood. Although polymer nanocomposites exhibit diverse morphologies, qualitatively their mechanical properties are believed to be governed by a few parameters, namely their internal polymer network topology, nanoparticle volume fraction, particle surface properties and so on. Relating material mechanics to such elementary parameters is the purpose of this work. By taking a coarse-grained molecular modeling approach, we study an range of different polymer nanocomposites. We vary polymer nanoparticle connectivity, surface geometry and volume fraction to systematically study rheological/mechanical properties. Our models cover different materials, and reproduce key characteristics of real nanocomposites, such as phase separation, mechanical reinforcement. The results shed light on establishing elementary structure, property and function relationship of polymer nanocomposites.
Molecular dynamics modeling of polymer flammability
International Nuclear Information System (INIS)
Nyden, M.R.; Brown, J.E.; Lomakin, S.M.
1992-01-01
Molecular dynamic simulations were used to identify factors which promote char formation during the thermal degradation of polymers. Computer movies based on these simulations, indicate that cross-linked model polymers tend to undergo further cross-linking when burned, eventually forming a high molecular weight, thermally stable char. This paper reports that the prediction was confirmed by char yield measurements made on γ and e - -irradiated polyethylene and chemically cross-linked poly(methyl methacrylate)
Multiscale approach to equilibrating model polymer melts
DEFF Research Database (Denmark)
Svaneborg, Carsten; Ali Karimi-Varzaneh, Hossein; Hojdis, Nils
2016-01-01
We present an effective and simple multiscale method for equilibrating Kremer Grest model polymer melts of varying stiffness. In our approach, we progressively equilibrate the melt structure above the tube scale, inside the tube and finally at the monomeric scale. We make use of models designed...
Non standard analysis, polymer models, quantum fields
International Nuclear Information System (INIS)
Albeverio, S.
1984-01-01
We give an elementary introduction to non standard analysis and its applications to the theory of stochastic processes. This is based on a joint book with J.E. Fenstad, R. Hoeegh-Krohn and T. Lindstroeem. In particular we give a discussion of an hyperfinite theory of Dirichlet forms with applications to the study of the Hamiltonian for a quantum mechanical particle in the potential created by a polymer. We also discuss new results on the existence of attractive polymer measures in dimension d 1 2 phi 2 2 )sub(d)-model of interacting quantum fields. (orig.)
A finite element approach to self-consistent field theory calculations of multiblock polymers
Energy Technology Data Exchange (ETDEWEB)
Ackerman, David M. [Department of Mechanical Engineering, Iowa State University, Ames, IA 50011 (United States); Delaney, Kris; Fredrickson, Glenn H. [Materials Research Laboratory, University of California, Santa Barbara (United States); Ganapathysubramanian, Baskar, E-mail: baskarg@iastate.edu [Department of Mechanical Engineering, Iowa State University, Ames, IA 50011 (United States)
2017-02-15
Self-consistent field theory (SCFT) has proven to be a powerful tool for modeling equilibrium microstructures of soft materials, particularly for multiblock polymers. A very successful approach to numerically solving the SCFT set of equations is based on using a spectral approach. While widely successful, this approach has limitations especially in the context of current technologically relevant applications. These limitations include non-trivial approaches for modeling complex geometries, difficulties in extending to non-periodic domains, as well as non-trivial extensions for spatial adaptivity. As a viable alternative to spectral schemes, we develop a finite element formulation of the SCFT paradigm for calculating equilibrium polymer morphologies. We discuss the formulation and address implementation challenges that ensure accuracy and efficiency. We explore higher order chain contour steppers that are efficiently implemented with Richardson Extrapolation. This approach is highly scalable and suitable for systems with arbitrary shapes. We show spatial and temporal convergence and illustrate scaling on up to 2048 cores. Finally, we illustrate confinement effects for selected complex geometries. This has implications for materials design for nanoscale applications where dimensions are such that equilibrium morphologies dramatically differ from the bulk phases.
Configurational statistics of a polymer chain with random sequence of elements
International Nuclear Information System (INIS)
Obukhov, S.P.
1984-10-01
It is shown that for a disordered polymer chain the upper critical dimension is d c =3. At d≤3 the effect of randomness increases on large scales due to the space correlations of attractive and repulsive monomers, but it can also be screened by repulsive two- or three-body interaction. The renorm group equations indicate that near the theta point it can be the large dispersion of sizes of polymers which differ only in sequences of elements. (orig.)
Griebel, Jared J; Namnabat, Soha; Kim, Eui Tae; Himmelhuber, Roland; Moronta, Dominic H; Chung, Woo Jin; Simmonds, Adam G; Kim, Kyung-Jo; van der Laan, John; Nguyen, Ngoc A; Dereniak, Eustace L; Mackay, Michael E; Char, Kookheon; Glass, Richard S; Norwood, Robert A; Pyun, Jeffrey
2014-05-21
Polymers for IR imaging: The preparation of high refractive index polymers (n = 1.75 to 1.86) via the inverse vulcanization of elemental sulfur is reported. High quality imaging in the near (1.5 μm) and mid-IR (3-5 μm) regions using high refractive index polymeric lenses from these sulfur materials was demonstrated. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Finite element coiled cochlea model
Isailovic, Velibor; Nikolic, Milica; Milosevic, Zarko; Saveljic, Igor; Nikolic, Dalibor; Radovic, Milos; Filipović, Nenad
2015-12-01
Cochlea is important part of the hearing system, and thanks to special structure converts external sound waves into neural impulses which go to the brain. Shape of the cochlea is like snail, so geometry of the cochlea model is complex. The simplified cochlea coiled model was developed using finite element method inside SIFEM FP7 project. Software application is created on the way that user can prescribe set of the parameters for spiral cochlea, as well as material properties and boundary conditions to the model. Several mathematical models were tested. The acoustic wave equation for describing fluid in the cochlea chambers - scala vestibuli and scala timpani, and Newtonian dynamics for describing vibrations of the basilar membrane are used. The mechanical behavior of the coiled cochlea was analyzed and the third chamber, scala media, was not modeled because it does not have a significant impact on the mechanical vibrations of the basilar membrane. The obtained results are in good agreement with experimental measurements. Future work is needed for more realistic geometry model. Coiled model of the cochlea was created and results are compared with initial simplified coiled model of the cochlea.
Can polymer thermal oxidative ageing be modelled?
International Nuclear Information System (INIS)
Audouin, L.; Colin, X.; Fayolle, B.; Richaud, E.; Verdu, J.
2010-01-01
It has been supposed, for a long time, that kinetic modelling of polymer ageing for nonempirical lifetime prediction was out of reach for two main reasons: hyper-complexity of mechanisms and heterogeneity of reactions. The arguments relative to both aspects are examined here. It is concluded that, thanks to recent advances, especially the introduction of numerical methods, kinetic modelling is possible in various important practical cases. (authors)
Structural modeling techniques by finite element method
International Nuclear Information System (INIS)
Kang, Yeong Jin; Kim, Geung Hwan; Ju, Gwan Jeong
1991-01-01
This book includes introduction table of contents chapter 1 finite element idealization introduction summary of the finite element method equilibrium and compatibility in the finite element solution degrees of freedom symmetry and anti symmetry modeling guidelines local analysis example references chapter 2 static analysis structural geometry finite element models analysis procedure modeling guidelines references chapter 3 dynamic analysis models for dynamic analysis dynamic analysis procedures modeling guidelines and modeling guidelines.
Molecular scale modeling of polymer imprint nanolithography.
Chandross, Michael; Grest, Gary S
2012-01-10
We present the results of large-scale molecular dynamics simulations of two different nanolithographic processes, step-flash imprint lithography (SFIL), and hot embossing. We insert rigid stamps into an entangled bead-spring polymer melt above the glass transition temperature. After equilibration, the polymer is then hardened in one of two ways, depending on the specific process to be modeled. For SFIL, we cross-link the polymer chains by introducing bonds between neighboring beads. To model hot embossing, we instead cool the melt to below the glass transition temperature. We then study the ability of these methods to retain features by removing the stamps, both with a zero-stress removal process in which stamp atoms are instantaneously deleted from the system as well as a more physical process in which the stamp is pulled from the hardened polymer at fixed velocity. We find that it is necessary to coat the stamp with an antifriction coating to achieve clean removal of the stamp. We further find that a high density of cross-links is necessary for good feature retention in the SFIL process. The hot embossing process results in good feature retention at all length scales studied as long as coated, low surface energy stamps are used.
Modelling Polymer Deformation during 3D Printing
McIlroy, Claire; Olmsted, Peter
Three-dimensional printing has the potential to transform manufacturing processes, yet improving the strength of printed parts, to equal that of traditionally-manufactured parts, remains an underlying issue. The fused deposition modelling technique involves melting a thermoplastic, followed by layer-by-layer extrusion to fabricate an object. The key to ensuring strength at the weld between layers is successful inter-diffusion. However, prior to welding, both the extrusion process and the cooling temperature profile can significantly deform the polymer micro-structure and, consequently, how well the polymers are able to ``re-entangle'' across the weld. In particular, polymer alignment in the flow can cause de-bonding of the layers and create defects. We have developed a simple model of the non-isothermal extrusion process to explore the effects that typical printing conditions and material rheology have on the conformation of a polymer melt. In particular, we incorporate both stretch and orientation using the Rolie-Poly constitutive equation to examine the melt structure as it flows through the nozzle, the subsequent alignment with the build plate and the resulting deformation due to the fixed nozzle height, which is typically less than the nozzle radius.
Experimental Characterization of Ionic Polymer Metal Composite as a Novel Fractional Order Element
Directory of Open Access Journals (Sweden)
Riccardo Caponetto
2013-01-01
Full Text Available Ionic polymer metal composites (IPMCs are electroactive materials made of ionic polymer thin membranes with platinum metallization on their surfaces. They are interesting materials due to not only their electromechanical applications as transducers but also to their electrochemical features and the relationship between the ionic/solvent current and the potential field. Their electrochemical properties thus suggest the possibility for exploiting them as compact fractional-order elements (FOEs with a view of defining fabrication processes and production strategies that assure the desired performances. In this paper, the experimental electrical characterization of a brand new IPMC setup in a fixed sandwich configuration is proposed. Two IPMC devices with different platinum absorption times (5 h and 20 h are characterized through experimental data: first, a preliminary linearity study is performed for a fixed input voltage amplitude in order to determine the frequency region where IPMC can be approximated as linear; then, a frequency analysis is carried out in order to identify a coherent fractional-order dynamics in the bode diagrams. Such analyses take the first steps towards a simplified model of IPMC as a compact electronic FOE for which the fractional exponent value depends on fabrication parameters as the absorption time.
Radiation sensitive polymers of oxygen-substituted maleimides and elements containing same
International Nuclear Information System (INIS)
Wilson, J.C.
1977-01-01
Radiation sensitive polymers comprising from about 1 to 100 mole % of a polymerized maleimide monomer consisting of a hydrocarbon group having from 2 to 20 carbon atoms, preferably a bridged hydrocarbon group having from 6 to 10 carbon atoms and from 0 to about 99 mole % of at least one additional polymerized ethylenically unsaturated monomer are described. The polymers are soluble in organic solvents, possess desirably high glass transition temperatures and are capable of undergoing a photochemical reaction to yield polymers having isocyanate and oxy-substituted cyclopropane moieties which are capable of crosslinking in the presence of active hydrogen-containing compounds. The polymers are useful in radiation sensitive compositions and elements containing same
Entanglement effects in model polymer networks
Everaers, R.; Kremer, K.
The influence of topological constraints on the local dynamics in cross-linked polymer melts and their contribution to the elastic properties of rubber elastic systems are a long standing problem in statistical mechanics. Polymer networks with diamond lattice connectivity (Everaers and Kremer 1995, Everaers and Kremer 1996a) are idealized model systems which isolate the effect of topology conservation from other sources of quenched disorder. We study their behavior in molecular dynamics simulations under elongational strain. In our analysis we compare the measured, purely entropic shear moduli G to the predictions of statistical mechanical models of rubber elasticity, making extensive use of the microscopic structural and topological information available in computer simulations. We find (Everaers and Kremer 1995) that the classical models of rubber elasticity underestimate the true change in entropy in a deformed network significantly, because they neglect the tension along the contour of the strands which cannot relax due to entanglements (Everaers and Kremer (in preparation)). This contribution and the fluctuations in strained systems seem to be well described by the constrained mode model (Everaers 1998) which allows to treat the crossover from classical rubber elasticity to the tube model for polymer networks with increasing strand length within one transparant formalism. While this is important for the description of the effects we try to do a first quantitative step towards their explanation by topological considerations. We show (Everaers and Kremer 1996a) that for the comparatively short strand lengths of our diamond networks the topology contribution to the shear modulus is proportional to the density of entangled mesh pairs with non-zero Gauss linking number. Moreover, the prefactor can be estimated consistently within a rather simple model developed by Vologodskii et al. and by Graessley and Pearson, which is based on the definition of an entropic
DEFF Research Database (Denmark)
Mao, Yan; Bao, Yu; Gan, Shiyu
2011-01-01
A novel composite of graphene sheets/Congo red-molecular imprinted polymers (GSCR-MIPs) was synthesized through free radical polymerization (FRP) and applied as a molecular recognition element to construct dopamine (DA) electrochemical sensor. The template molecules (DA) were firstly absorbed...... at the GSCR surface due to their excellent affinity, and subsequently, selective copolymerization of methacrylic acid (MAA) and ethylene glycol dimethacrylate (EGDMA) was further achieved at the GSCR surface. Potential scanning was presented to extract DA molecules from the imprinted polymers film...
FINITE ELEMENT MODEL FOR PREDICTING RESIDUAL ...
African Journals Online (AJOL)
FINITE ELEMENT MODEL FOR PREDICTING RESIDUAL STRESSES IN ... the transverse residual stress in the x-direction (σx) had a maximum value of 375MPa ... the finite element method are in fair agreement with the experimental results.
Deuteron NMR and modelling in solid polymers
International Nuclear Information System (INIS)
Hirschinger, J.
1992-01-01
Deuteron NMR techniques are described and some recent applications to the study of rotational motions in solid polymers are reviewed. The information content and the domain of applicability of each technique are presented. Ultra-slow motions are studied in real time without any motional model consideration. For very fast motions, computer molecular dynamics simulations are shown to complement the NMR results. Experimental examples deal with the chain motion in the crystalline α-phase of poly(vinylidenefluoride) and nylon 6,6
Zhang, Wei; Ahmed, Saad; Masters, Sarah; Ounaies, Zoubeida; Frecker, Mary
2017-10-01
The incorporation of smart materials such as electroactive polymers and magnetoactive elastomers in origami structures can result in active folding using external electric and magnetic stimuli, showing promise in many origami-inspired engineering applications. In this study, 3D finite element analysis (FEA) models are developed using COMSOL Multiphysics software for three configurations that incorporate a combination of active and passive material layers, namely: (1) a single-notch unimorph folding configuration actuated using only external electric field, (2) a double-notch unimorph folding configuration actuated using only external electric field, and (3) a bifold configuration which is actuated using multi-field (electric and magnetic) stimuli. The objectives of the study are to verify the effectiveness of the FEA models to simulate folding behavior and to investigate the influence of geometric parameters on folding quality. Equivalent mechanical pressure and surface stress are used as external loads in the FEA to simulate electric and magnetic fields, respectively. Compared quantitatively with experimental data, FEA captured the folding performance of electric actuation well for notched configurations and magnetic actuation for a bifold structure, but underestimated electric actuation for the bifold structure. By investigating the impact of geometric parameters and locations to place smart materials, FEA can be used in design, avoiding trial-and-error iterations of experiments.
Homoserine Lactone as a Structural Key Element for the Synthesis of Multifunctional Polymers
Directory of Open Access Journals (Sweden)
Fabian Marquardt
2017-04-01
Full Text Available The use of bio-based building blocks for polymer synthesis represents a milestone on the way to “green” materials. In this work, two synthetic strategies for the preparation of multifunctional polymers are presented in which the key element is the functionality of homoserine lactone. First, the synthesis of a bis cyclic coupler based on a thiolactone and homoserine lactone is displayed. This coupler was evaluated regarding its regioselectivity upon reaction with amines and used in the preparation of multifunctional polymeric building blocks by reaction with diamines. Furthermore, a linear polyglycidol was functionalized with homoserine lactone. The resulting polyethers with lactone groups in the side chain were converted to cationic polymers by reaction with 3-(dimethylamino-1-propylamine followed by quaternization with methyl iodide.
Verification of Orthogrid Finite Element Modeling Techniques
Steeve, B. E.
1996-01-01
The stress analysis of orthogrid structures, specifically with I-beam sections, is regularly performed using finite elements. Various modeling techniques are often used to simplify the modeling process but still adequately capture the actual hardware behavior. The accuracy of such 'Oshort cutso' is sometimes in question. This report compares three modeling techniques to actual test results from a loaded orthogrid panel. The finite element models include a beam, shell, and mixed beam and shell element model. Results show that the shell element model performs the best, but that the simpler beam and beam and shell element models provide reasonable to conservative results for a stress analysis. When deflection and stiffness is critical, it is important to capture the effect of the orthogrid nodes in the model.
Confining multiple polymers between sticky walls: a directed walk model of two polymers
International Nuclear Information System (INIS)
Wong, Thomas; Rechnitzer, Andrew; Owczarek, Aleksander L
2014-01-01
We study a model of two polymers confined to a slit with sticky walls. More precisely, we find and analyse the exact solution of two directed friendly walks in such a geometry on the square lattice. We compare the infinite slit limit, in which the length of the polymer (thermodynamic limit) is taken to infinity before the width of the slit is considered to become large, to the opposite situation where the order of the limits are swapped, known as the half-plane limit when one polymer is modelled. In contrast with the single polymer system we find that the half-plane and infinite slit limits coincide. We understand this result in part due to the tethering of polymers on both walls of the slit. We also analyse the entropic force exerted by the polymers on the walls of the slit. Again the results differ significantly from single polymer models. In a single polymer system both attractive and repulsive regimes were seen, whereas in our two walk model only repulsive forces are observed. We do, however, see that the range of the repulsive force is dependent on the parameter values. This variation can be explained by the adsorption of the walks on opposite walls of the slit. (paper)
Toward a Mesoscale Model for the Dynamics of Polymer Solutions
Energy Technology Data Exchange (ETDEWEB)
Miller, G H; Trebotich, D
2006-10-02
To model entire microfluidic systems containing solvated polymers we argue that it is necessary to have a numerical stability constraint governed only by the advective CFL condition. Advancements in the treatment of Kramers bead-rod polymer models are presented to enable tightly-coupled fluid-particle algorithms in the context of system-level modeling.
Modeling of ionic transport in solid polymer electrolytes
International Nuclear Information System (INIS)
Cheang, P L; Teo, L L; Lim, T L
2010-01-01
A Monte Carlo model describing the ionic trans port in solid polyme relectrolyte is developed. Single cation simulation is carried out using hopping rate to study the transport mechanism of a thermally activated ion in solid polymer electrolyte. In our model, the ion is able to hop along a polymer chain and to jump between different chains, surmounting energy barriers that consist of polymer's activation energy and the externally applied electric field. The model is able to trace the motion of ion across polymer electrolyte. The mean hopping distance is calculated based on the available open bond in the next nearest side. Random numbers are used to determine the hopping distances, free flight times, final energy and direction of the cation after successful hop. Drift velocity and energy of cation are simulated in our work. The model is expected to be able to simulate the lithium-polymer battery in future.
Modeling Percolation in Polymer Nanocomposites by Stochastic Microstructuring
Directory of Open Access Journals (Sweden)
Matias Soto
2015-09-01
Full Text Available A methodology was developed for the prediction of the electrical properties of carbon nanotube-polymer nanocomposites via Monte Carlo computational simulations. A two-dimensional microstructure that takes into account waviness, fiber length and diameter distributions is used as a representative volume element. Fiber interactions in the microstructure are identified and then modeled as an equivalent electrical circuit, assuming one-third metallic and two-thirds semiconductor nanotubes. Tunneling paths in the microstructure are also modeled as electrical resistors, and crossing fibers are accounted for by assuming a contact resistance associated with them. The equivalent resistor network is then converted into a set of linear equations using nodal voltage analysis, which is then solved by means of the Gauss–Jordan elimination method. Nodal voltages are obtained for the microstructure, from which the percolation probability, equivalent resistance and conductivity are calculated. Percolation probability curves and electrical conductivity values are compared to those found in the literature.
Critically Important Object Security System Element Model
Directory of Open Access Journals (Sweden)
I. V. Khomyackov
2012-03-01
Full Text Available A stochastic model of critically important object security system element has been developed. The model includes mathematical description of the security system element properties and external influences. The state evolution of the security system element is described by the semi-Markov process with finite states number, the semi-Markov matrix and the initial semi-Markov process states probabilities distribution. External influences are set with the intensity of the Poisson thread.
Finite element modeling of piezoelectric elements with complex electrode configuration
International Nuclear Information System (INIS)
Paradies, R; Schläpfer, B
2009-01-01
It is well known that the material properties of piezoelectric materials strongly depend on the state of polarization of the individual element. While an unpolarized material exhibits mechanically isotropic material properties in the absence of global piezoelectric capabilities, the piezoelectric material properties become transversally isotropic with respect to the polarization direction after polarization. Therefore, for evaluating piezoelectric elements the material properties, including the coupling between the mechanical and the electromechanical behavior, should be addressed correctly. This is of special importance for the micromechanical description of piezoelectric elements with interdigitated electrodes (IDEs). The best known representatives of this group are active fiber composites (AFCs), macro fiber composites (MFCs) and the radial field diaphragm (RFD), respectively. While the material properties are available for a piezoelectric wafer with a homogeneous polarization perpendicular to its plane as postulated in the so-called uniform field model (UFM), the same information is missing for piezoelectric elements with more complex electrode configurations like the above-mentioned ones with IDEs. This is due to the inhomogeneous field distribution which does not automatically allow for the correct assignment of the material, i.e. orientation and property. A variation of the material orientation as well as the material properties can be accomplished by including the polarization process of the piezoelectric transducer in the finite element (FE) simulation prior to the actual load case to be investigated. A corresponding procedure is presented which automatically assigns the piezoelectric material properties, e.g. elasticity matrix, permittivity, and charge vector, for finite element models (FEMs) describing piezoelectric transducers according to the electric field distribution (field orientation and strength) in the structure. A corresponding code has been
Nonlinear finite element modeling of corrugated board
A. C. Gilchrist; J. C. Suhling; T. J. Urbanik
1999-01-01
In this research, an investigation on the mechanical behavior of corrugated board has been performed using finite element analysis. Numerical finite element models for corrugated board geometries have been created and executed. Both geometric (large deformation) and material nonlinearities were included in the models. The analyses were performed using the commercial...
Non-homogeneous polymer model for wave propagation and its ...
African Journals Online (AJOL)
This article concerns certain aspects of four parameter polymer models to study harmonic waves in the non-homogeneous polymer rods of varying density. There are two sections of this paper, in first section, the rheological behaviour of the model is discussed numerically and then it is solved analytically with the help of ...
A numerical model to simulate foams during devolatilization of polymers
Khan, Irfan; Dixit, Ravindra
2014-11-01
Customers often demand that the polymers sold in the market have low levels of volatile organic compounds (VOC). Some of the processes for making polymers involve the removal of volatiles to the levels of parts per million (devolatilization). During this step the volatiles are phase separated out of the polymer through a combination of heating and applying lower pressure, creating foam with the pure polymer in liquid phase and the volatiles in the gas phase. The efficiency of the devolatilization process depends on predicting the onset of solvent phase change in the polymer and volatiles mixture accurately based on the processing conditions. However due to the complex relationship between the polymer properties and the processing conditions this is not trivial. In this work, a bubble scale model is coupled with a bulk scale transport model to simulate the processing conditions of polymer devolatilization. The bubble scale model simulates the nucleation and bubble growth based on the classical nucleation theory and the popular ``influence volume approach.'' As such it provides the information of bubble size distribution and number density inside the polymer at any given time and position. This information is used to predict the bulk properties of the polymer and its behavior under the applied processing conditions. Initial results of this modeling approach will be presented.
Viscoelasticity in Polymers: Phenomenological to Molecular Mathematical Modelling
National Research Council Canada - National Science Library
Banks, H. T; Luke, N. S
2006-01-01
We report on two recent advances in the modelling of viscoelastic polymers: (i) a new constitutive model which combines the virtual stick-slip continuum "molecular-based" ideas of Johnson and Stacer with the Rouse bead chain ideas; (ii...
AMEM-ADL Polymer Migration Estimation Model User's Guide
The user's guide of the Arthur D. Little Polymer Migration Estimation Model (AMEM) provides the information on how the model estimates the fraction of a chemical additive that diffuses through polymeric matrices.
Non-linear finite element modeling
DEFF Research Database (Denmark)
Mikkelsen, Lars Pilgaard
The note is written for courses in "Non-linear finite element method". The note has been used by the author teaching non-linear finite element modeling at Civil Engineering at Aalborg University, Computational Mechanics at Aalborg University Esbjerg, Structural Engineering at the University...
Modeling of Dilute Polymer Solutions in Confined Space
DEFF Research Database (Denmark)
Wang, Yanwei
2009-01-01
This thesis deals with modeling of a polymer chain subject to spatial confinement. The properties of confined macromolecules are both of fundamental interest in polymer physics and of practical importance in a variety of applications including chromatographic separation of polymers, and the use...... of polymers to control the stability of colloidal suspensions. Furthermore, recent advances in micro- and nano-structuring techniques have led to the production of fluidic channels of critical dinlension approaching the molecular scales, in which areas understanding the effects of spatial restrictions...... to macromolecules is critical to the design and application of those devices. Our primary interest is to provide an understanding of the separation principle of polymers in size exclusion chromatography (SEC), where under ideal conditions the polymer concentration is low, and detailed enthalpic interactions...
Lakshmi, Dhana; Bossi, Alessandra; Whitcombe, Michael J; Chianella, Iva; Fowler, Steven A; Subrahmanyam, Sreenath; Piletska, Elena V; Piletsky, Sergey A
2009-05-01
One of the difficulties with using molecularly imprinted polymers (MIPs) and other electrically insulating materials as the recognition element in electrochemical sensors is the lack of a direct path for the conduction of electrons from the active sites to the electrode. We have sought to address this problem through the preparation and characterization of novel hybrid materials combining a catalytic MIP, capable of oxidizing the template, catechol, with an electrically conducting polymer. In this way a network of "molecular wires" assists in the conduction of electrons from the active sites within the MIP to the electrode surface. This was made possible by the design of a new monomer that combines orthogonal polymerizable functionality; comprising an aniline group and a methacrylamide. Conducting films were prepared on the surface of electrodes (Au on glass) by electropolymerization of the aniline moiety. A layer of MIP was photochemically grafted over the polyaniline, via N,N'-diethyldithiocarbamic acid benzyl ester (iniferter) activation of the methacrylamide groups. Detection of catechol by the hybrid-MIP sensor was found to be specific, and catechol oxidation was detected by cyclic voltammetry at the optimized operating conditions: potential range -0.6 V to +0.8 V (vs Ag/AgCl), scan rate 50 mV/s, PBS pH 7.4. The calibration curve for catechol was found to be linear to 144 microM, with a limit of detection of 228 nM. Catechol and dopamine were detected by the sensor, whereas analogues and potentially interfering compounds, including phenol, resorcinol, hydroquinone, serotonin, and ascorbic acid, had minimal effect (< or = 3%) on the detection of either analyte. Non-imprinted hybrid electrodes and bare gold electrodes failed to give any response to catechol at concentrations below 0.5 mM. Finally, the catalytic properties of the sensor were characterized by chronoamperometry and were found to be consistent with Michaelis-Menten kinetics.
Modeling of microencapsulated polymer shell solidification
International Nuclear Information System (INIS)
Boone, T.; Cheung, L.; Nelson, D.; Soane, D.; Wilemski, G.; Cook, R.
1995-01-01
A finite element transport model has been developed and implemented to complement experimental efforts to improve the quality of ICF target shells produced via controlled-mass microencapsulation. The model provides an efficient means to explore the effect of processing variables on the dynamics of shell dimensions, concentricity, and phase behavior. Comparisons with experiments showed that the model successfully predicts the evolution of wall thinning and core/wall density differences. The model was used to efficiently explore and identify initial wall compositions and processing temperatures which resulted in concentricity improvements from 65 to 99%. The evolution of trace amounts of water entering into the shell wall was also tracked in the simulations. Comparisons with phase envelope estimations from modified UNIFAP calculations suggest that the water content trajectory approaches the two-phase region where vacuole formation via microphase separation may occur
Business model elements impacting cloud computing adoption
DEFF Research Database (Denmark)
Bogataj, Kristina; Pucihar, Andreja; Sudzina, Frantisek
The paper presents a proposed research framework for identification of business model elements impacting Cloud Computing Adoption. We provide a definition of main Cloud Computing characteristics, discuss previous findings on factors impacting Cloud Computing Adoption, and investigate technology a...
Microchip Flow Cytometer with Integrated Polymer Optical Elements for Measurement of Scattered Light
DEFF Research Database (Denmark)
Wang, Zhenyu; El-Ali, Jamil; Perch-Nielsen, Ivan Ryberg
2004-01-01
channels to form a complete microchip flow cytometer. All the optical elements, the microfluidic system, and the fiber-to-waveguide couplers were defined in one layer of polymer (SU-8, negative photoresist) by standard photolithography. With only one single mask procedure, all the fabrication and packaging...... processes can be finished in one day. Polystyrene beads were measured in the microchip flow cytometer, and three signals (forward scattering, large angle scattering and extinction) were measured simultaneously for each bead. The average intensities of the forward Scattered light and the incident light...
Modeling beams with elements in phase space
International Nuclear Information System (INIS)
Nelson, E.M.
1998-01-01
Conventional particle codes represent beams as a collection of macroparticles. An alternative is to represent the beam as a collection of current carrying elements in phase space. While such a representation has limitations, it may be less noisy than a macroparticle model, and it may provide insights about the transport of space charge dominated beams which would otherwise be difficult to gain from macroparticle simulations. The phase space element model of a beam is described, and progress toward an implementation and difficulties with this implementation are discussed. A simulation of an axisymmetric beam using 1d elements in phase space is demonstrated
Blinkov, Pavel; Ogorodov, Leonid; Grabovyy, Peter
2018-03-01
Modern high-rise construction introduces a number of limitations and tasks. In addition to durability, comfort and profitability, projects should take into account energy efficiency and environmental problems. Polymer building materials are used as substitutes for materials such as brick, concrete, metal, wood and glass, and in addition to traditional materials. Plastic materials are light, can be formed into complex shapes, durable and low, and also possess a wide range of properties. Plastic materials are available in various forms, colors and textures and require minimal or no color. They are resistant to heat transfer and diffusion of moisture and do not suffer from metal corrosion or microbial attack. Polymeric materials, including thermoplastics, thermoset materials and wood-polymer composites, have many structural and non-structural applications in the construction industry. They provide unique and innovative solutions at a low cost, and their use is likely to grow in the future. A number of polymer composite materials form complex material compositions, which are applied in the construction in order to analyze the processes of damage accumulation under the conditions of complex nonstationary loading modes, and to determine the life of structural elements considering the material aging. This paper present the results of tests on short-term compression loading with a deformation rate of v = 2 mm/min using composite samples of various shapes and sizes.
Kinetics approach to modeling of polymer additive degradation in lubricants
Institute of Scientific and Technical Information of China (English)
llyaI.KUDISH; RubenG.AIRAPETYAN; Michael; J.; COVITCH
2001-01-01
A kinetics problem for a degrading polymer additive dissolved in a base stock is studied.The polymer degradation may be caused by the combination of such lubricant flow parameters aspressure, elongational strain rate, and temperature as well as lubricant viscosity and the polymercharacteristics (dissociation energy, bead radius, bond length, etc.). A fundamental approach tothe problem of modeling mechanically induced polymer degradation is proposed. The polymerdegradation is modeled on the basis of a kinetic equation for the density of the statistical distribu-tion of polymer molecules as a function of their molecular weight. The integrodifferential kineticequation for polymer degradation is solved numerically. The effects of pressure, elongational strainrate, temperature, and lubricant viscosity on the process of lubricant degradation are considered.The increase of pressure promotes fast degradation while the increase of temperature delaysdegradation. A comparison of a numerically calculated molecular weight distribution with an ex-perimental one obtained in bench tests showed that they are in excellent agreement with eachother.
Molecular Dynamic Modeling and Simulation for Polymers
National Research Council Canada - National Science Library
Harrell, Anthony
2003-01-01
... the mechanical properties of polymers. In particular, the goal was to develop insights as to how a molecular level structure is connected to the bulk properties of materials assuming homogeneity...
Designing Polymer Blends Through Modeling and Simulation
National Research Council Canada - National Science Library
Balazs, Anna
2001-01-01
...) of clay sheets in polymer melts. In addition, we determined how the coupling between phase separation and wetting interactions in polymeric composites effects the structural evolution and phase behavior of the material...
Kaunisto, Erik; Marucci, Mariagrazia; Borgquist, Per; Axelsson, Anders
2011-10-10
The time required for the design of a new delivery device can be sensibly reduced if the release mechanism is understood and an appropriate mathematical model is used to characterize the system. Once all the model parameters are obtained, in silico experiments can be performed, to provide estimates of the release from devices with different geometries and compositions. In this review coated and matrix systems are considered. For coated formulations, models describing the diffusional drug release, the osmotic pumping drug release, and the lag phase of pellets undergoing cracking in the coating due to the build-up of a hydrostatic pressure are reviewed. For matrix systems, models describing pure polymer dissolution, diffusion in the polymer and drug release from swelling and eroding polymer matrix formulations are reviewed. Importantly, the experiments used to characterize the processes occurring during the release and to validate the models are presented and discussed. Copyright © 2011 Elsevier B.V. All rights reserved.
Irradiation effects on polymer-model compounds
International Nuclear Information System (INIS)
Seguchi, Tadao; Hayakawa, Naohiro; Tamura, Naoyuki; Katsumura, Yosuke; Hayashi, Nariyuki; Tabata, Yoneho
1991-01-01
Irradiation effects on n-paraffins and squalane, used as models of polymers, were investigated by product analysis. Four n-paraffins, C 20 H 42 , C 21 H 44 , C 23 H 48 and C 24 H 50 , and squalane (C 30 H 62 ) were γ-irradiated under vacuum in liquid, crystalline and glassy states. The evolved gases were analyzed by gas chromatography and changes in molecular weight were analyzed by liquid chromatography and mass spectroscopy. G-values for crosslinking of n-paraffins were 1.2 for crystalline states (at 25 0 C) and 1.7 for liquid states (at 55 0 C), and showed no difference between odd and even carbon numbers. The G-value of liquid squalane was 1.7; it was 1.3 for the glassy state at low temperature (-77 0 C). Double bonds were common in the crosslinked products, especially after liquid-phase irradiation. The probability of chain scission was estimated as being negligible, though a small number of chain-scission products (which were products of scission at chain-ends or side chains) were observed by gas analysis. (author)
Viscoelastic Flow Modelling for Polymer Flooding
de, Shauvik; Padding, Johan; Peters, Frank; Kuipers, Hans; Multi-scale Modelling of Multi-phase Flows Team
2015-11-01
Polymer liquids are used in the oil industry to improve the volumetric sweep and displacement efficiency of oil from a reservoir. Surprisingly, it is not only the viscosity but also the elasticity of the displacing fluid that determine the displacement efficiency. The main aim of our work is to obtain a fundamental understanding of the effect of fluid elasticity, by developing an advanced computer simulation methodology for the flow of non-Newtonian fluids through porous media. We simulate a 3D unsteady viscoelastic flow through a converging diverging geometry of realistic pore dimension using computational fluid dynamics (CFD).The primitive variables velocity, pressure and extra stresses are used in the formulation of models. The viscoelastic stress part is formulated using a FENE-P type of constitutive equation, which can predict both shear and elongational stress properties during this flow. A Direct Numerical Simulation (DNS) approach using Finite volume method (FVM) with staggered grid has been applied. A novel second order Immersed boundary method (IBM) has been incorporated to mimic porous media. The effect of rheological parameters on flow characteristics has also been studied. The simulations provide an insight into 3D flow asymmetry at higher Deborah numbers. Micro-Particle Image Velocimetry experiments are carried out to obtain further insights. These simulations present, for the first time, a detailed computational study of the effects of fluid elasticity on the imbibition of an oil phase.
Molecular model for solubility of gases in flexible polymers
DEFF Research Database (Denmark)
Neergaard, Jesper; Hassager, Ole; Szabo, Peter
1999-01-01
We propose a model for a priori prediction of the solubility of gases in flexible polymers. The model is based on the concept of ideal solubility of gases in liquids. According to this concept, the mole fraction of gases in liquids is given by Raoult's law with the total pressure and the vapor...... pressure of the gas, where the latter may have to be extrapolated. However, instead of considering each polymer molecule as a rigid structure, we estimate the effective number of degrees of freedom from an equivalent freely jointed bead-rod model for the flexible polymer. In this model, we associate...... the length of the rods with the molecular weight corresponding to a Kuhn step. The model provides a tool for crude estimation of the gas solubility on the basis of only the monomer unit of the polymer and properties of the gas. A comparison with the solubility data for several gases in poly...
Interaction of multiple biomimetic antimicrobial polymers with model bacterial membranes
Energy Technology Data Exchange (ETDEWEB)
Baul, Upayan, E-mail: upayanb@imsc.res.in; Vemparala, Satyavani, E-mail: vani@imsc.res.in [The Institute of Mathematical Sciences, C.I.T. Campus, Taramani, Chennai 600113 (India); Kuroda, Kenichi, E-mail: kkuroda@umich.edu [Department of Biologic and Materials Sciences, University of Michigan School of Dentistry, Ann Arbor, Michigan 48109 (United States)
2014-08-28
Using atomistic molecular dynamics simulations, interaction of multiple synthetic random copolymers based on methacrylates on prototypical bacterial membranes is investigated. The simulations show that the cationic polymers form a micellar aggregate in water phase and the aggregate, when interacting with the bacterial membrane, induces clustering of oppositely charged anionic lipid molecules to form clusters and enhances ordering of lipid chains. The model bacterial membrane, consequently, develops lateral inhomogeneity in membrane thickness profile compared to polymer-free system. The individual polymers in the aggregate are released into the bacterial membrane in a phased manner and the simulations suggest that the most probable location of the partitioned polymers is near the 1-palmitoyl-2-oleoyl-phosphatidylglycerol (POPG) clusters. The partitioned polymers preferentially adopt facially amphiphilic conformations at lipid-water interface, despite lacking intrinsic secondary structures such as α-helix or β-sheet found in naturally occurring antimicrobial peptides.
Lattice models of directed and semiflexible polymers in anisotropic environment
International Nuclear Information System (INIS)
Haydukivska, K; Blavatska, V
2015-01-01
We study the conformational properties of polymers in presence of extended columnar defects of parallel orientation. Two classes of macromolecules are considered: the so-called partially directed polymers with preferred orientation along direction of the external stretching field and semiflexible polymers. We are working within the frames of lattice models: partially directed self-avoiding walks (PDSAWs) and biased self-avoiding walks (BSAWs). Our numerical analysis of PDSAWs reveals, that competition between the stretching field and anisotropy caused by presence of extended defects leads to existing of three characteristic length scales in the system. At each fixed concentration of disorder we found a transition point, where the influence of extended defects is exactly counterbalanced by the stretching field. Numerical simulations of BSAWs in anisotropic environment reveal an increase of polymer stiffness. In particular, the persistence length of semiflexible polymers increases in presence of disorder. (paper)
Miscibility of polymer blends with engineering models
DEFF Research Database (Denmark)
Vassilis, Harismiadis; van Bergen, A. R. D.; Goncalves, Ana Saraiva
1996-01-01
compared. The van der Waals equation of state was recently shown to accurately correlate and predict vapor-liquid and liquid-liquid equilibria for binary polymer/solvent solutions. In this work, it is demonstrated that it correlates the upper critical solution behavior of polymer blends with excellent...... accuracy using the usual mixing and combining rules and a single temperature- and composition-independent binary interaction parameter. This interaction parameter can be predicted via a generalized expression that uses only the pure component equation-of-state parameters. Using this generalized expression...
Hydraulic modelling of the CARA Fuel element
International Nuclear Information System (INIS)
Brasnarof, Daniel O.; Juanico, Luis; Giorgi, M.; Ghiselli, Alberto M.; Zampach, Ruben; Fiori, Jose M.; Yedros, Pablo A.
2004-01-01
The CARA fuel element is been developing by the National Atomic Energy Commission for both Argentinean PHWRs. In order to keep the hydraulic restriction in their fuel channels, one of CARA's goals is to keep its similarity with both present fuel elements. In this paper is presented pressure drop test performed at a low-pressure facility (Reynolds numbers between 5x10 4 and 1,5x10 5 ) and rational base models for their spacer grid and rod assembly. Using these models, we could estimate the CARA hydraulic performance in reactor conditions that have shown to be satisfactory. (author) [es
Polymer Nanocomposites for Wind Energy Applications: Perspectives and Computational Modeling
DEFF Research Database (Denmark)
Mishnaevsky, Leon; Zhou, H.W.; Peng, R.D.
2013-01-01
Strength and reliability of wind blades produced from polymer composites are the important preconditions for the successful development of wind energy. One of the ways to increase the reliability and lifetime of polymer matrix composites is the nanoengineering of matrix or fiber/matrix interfaces...... in these composites. The potential and results of nanoclay reinforcements for the improvement of the mechanical properties of polymer composites are investigated using continuum mechanics and micromechanics methods and effective phase model. It is demonstrated that nanoreinforcement allows to increase the stiffness...
Finite element and analytical models for twisted and coiled actuator
Tang, Xintian; Liu, Yingxiang; Li, Kai; Chen, Weishan; Zhao, Jianguo
2018-01-01
Twisted and coiled actuator (TCA) is a class of recently discovered artificial muscle, which is usually made by twisting and coiling polymer fibers into spring-like structures. It has been widely studied since discovery due to its impressive output characteristics and bright prospects. However, its mathematical models describing the actuation in response to the temperature are still not fully developed. It is known that the large tensile stroke is resulted from the untwisting of the twisted fiber when heated. Thus, the recovered torque during untwisting is a key parameter in the mathematical model. This paper presents a simplified model for the recovered torque of TCA. Finite element method is used for evaluating the thermal stress of the twisted fiber. Based on the results of the finite element analyses, the constitutive equations of twisted fibers are simplified to develop an analytic model of the recovered torque. Finally, the model of the recovered torque is used to predict the deformation of TCA under varying temperatures and validated against experimental results. This work will enhance our understanding of the deformation mechanism of TCAs, which will pave the way for the closed-loop position control.
Element-by-element parallel spectral-element methods for 3-D teleseismic wave modeling
Liu, Shaolin
2017-09-28
The development of an efficient algorithm for teleseismic wave field modeling is valuable for calculating the gradients of the misfit function (termed misfit gradients) or Fréchet derivatives when the teleseismic waveform is used for adjoint tomography. Here, we introduce an element-by-element parallel spectral-element method (EBE-SEM) for the efficient modeling of teleseismic wave field propagation in a reduced geology model. Under the plane-wave assumption, the frequency-wavenumber (FK) technique is implemented to compute the boundary wave field used to construct the boundary condition of the teleseismic wave incidence. To reduce the memory required for the storage of the boundary wave field for the incidence boundary condition, a strategy is introduced to efficiently store the boundary wave field on the model boundary. The perfectly matched layers absorbing boundary condition (PML ABC) is formulated using the EBE-SEM to absorb the scattered wave field from the model interior. The misfit gradient can easily be constructed in each time step during the calculation of the adjoint wave field. Three synthetic examples demonstrate the validity of the EBE-SEM for use in teleseismic wave field modeling and the misfit gradient calculation.
Discrete element modeling of microstructure of nacre
Chandler, Mei Qiang; Cheng, Jing-Ru C.
2018-04-01
The microstructure of nacre consists of polygon-shaped aragonite mineral tablets bonded by very thin layers of organic materials and is organized in a brick-mortar morphology. In this research, the discrete element method was utilized to model this structure. The aragonite mineral tablets were modeled with three-dimensional polygon particles generated by the Voronoi tessellation method to represent the Voronoi-like patterns of mineral tablets assembly observed in experiments. The organic matrix was modeled with a group of spring elements. The constitutive relations of the spring elements were inspired from the experimental results of organic molecules from the literature. The mineral bridges were modeled with simple elastic bonds with the parameters based on experimental data from the literature. The bulk stress-strain responses from the models agreed well with experimental results. The model results show that the mineral bridges play important roles in providing the stiffness and yield strength for the nacre, while the organic matrix in providing the ductility for the nacre. This work demonstrated the suitability of particle methods for modeling microstructures of nacre.
Statistical models and NMR analysis of polymer microstructure
Statistical models can be used in conjunction with NMR spectroscopy to study polymer microstructure and polymerization mechanisms. Thus, Bernoullian, Markovian, and enantiomorphic-site models are well known. Many additional models have been formulated over the years for additional situations. Typica...
A model for the dynamics of extensible semiflexible polymers
Barkema, G.T.; van Leeuwen, J.M.J.
2012-01-01
We present a model for semiflexible polymers in Hamiltonian formulation which interpolates between a Rouse chain and worm-like chain. Both models are realized as limits for the parameters. The model parameters can also be chosen to match the experimental force-extension curve for double-stranded
On constitutive modelling in finite element analysis
International Nuclear Information System (INIS)
Bathe, K.J.; Snyder, M.D.; Cleary, M.P.
1979-01-01
This compact contains a brief introduction to the problems involved in constitutive modeling as well as an outline of the final paper to be submitted. Attention is focussed on three important areas: (1) the need for using theoretically sound material models and the importance of recognizing the limitations of the models, (2) the problem of developing stable and effective numerical representations of the models, and (3) the necessity for selection of an appropriate finite element mesh that can capture the actual physical response of the complete structure. In the final paper, we will be presenting our recent research results pertaining to each of these problem areas. (orig.)
Element-specific density profiles in interacting biomembrane models
International Nuclear Information System (INIS)
Schneck, Emanuel; Rodriguez-Loureiro, Ignacio; Bertinetti, Luca; Gochev, Georgi; Marin, Egor; Novikov, Dmitri; Konovalov, Oleg
2017-01-01
Surface interactions involving biomembranes, such as cell–cell interactions or membrane contacts inside cells play important roles in numerous biological processes. Structural insight into the interacting surfaces is a prerequisite to understand the interaction characteristics as well as the underlying physical mechanisms. Here, we work with simplified planar experimental models of membrane surfaces, composed of lipids and lipopolymers. Their interaction is quantified in terms of pressure–distance curves using ellipsometry at controlled dehydrating (interaction) pressures. For selected pressures, their internal structure is investigated by standing-wave x-ray fluorescence (SWXF). This technique yields specific density profiles of the chemical elements P and S belonging to lipid headgroups and polymer chains, as well as counter-ion profiles for charged surfaces. (paper)
Boundary element method for modelling creep behaviour
International Nuclear Information System (INIS)
Zarina Masood; Shah Nor Basri; Abdel Majid Hamouda; Prithvi Raj Arora
2002-01-01
A two dimensional initial strain direct boundary element method is proposed to numerically model the creep behaviour. The boundary of the body is discretized into quadratic element and the domain into quadratic quadrilaterals. The variables are also assumed to have a quadratic variation over the elements. The boundary integral equation is solved for each boundary node and assembled into a matrix. This matrix is solved by Gauss elimination with partial pivoting to obtain the variables on the boundary and in the interior. Due to the time-dependent nature of creep, the solution has to be derived over increments of time. Automatic time incrementation technique and backward Euler method for updating the variables are implemented to assure stability and accuracy of results. A flowchart of the solution strategy is also presented. (Author)
Modeling and Simulation of Fiber Orientation in Injection Molding of Polymer Composites
Directory of Open Access Journals (Sweden)
Jang Min Park
2011-01-01
Full Text Available We review the fundamental modeling and numerical simulation for a prediction of fiber orientation during injection molding process of polymer composite. In general, the simulation of fiber orientation involves coupled analysis of flow, temperature, moving free surface, and fiber kinematics. For the governing equation of the flow, Hele-Shaw flow model along with the generalized Newtonian constitutive model has been widely used. The kinematics of a group of fibers is described in terms of the second-order fiber orientation tensor. Folgar-Tucker model and recent fiber kinematics models such as a slow orientation model are discussed. Also various closure approximations are reviewed. Therefore, the coupled numerical methods are needed due to the above complex problems. We review several well-established methods such as a finite-element/finite-different hybrid scheme for Hele-Shaw flow model and a finite element method for a general three-dimensional flow model.
Takahashi, Tadashi; Odagiri, Kayo; Watanabe, Atsushi; Watanabe, Chuichi; Kubo, Takuya; Hosoya, Ken
2011-10-01
A solid-phase extraction element based on epoxy polymer monolith was fabricated for sorptive enrichment of polar compounds from liquid and gaseous samples. After ultrasonication of the element in an aqueous solution for a given period of time, the thermal desorption (TD) using a pyrolyzer with gas chromatography/mass spectrometry (GC/MS), in which TD temperature was programmed from 50 to 250 °C for the analytes absorbed in the element, was used to evaluate the element for basic extraction performance using the aqueous standard mixtures consisting of compounds having varied polarities such as hexanol, isoamyl acetate, linalool, furfural and decanoic acid, in concentrations ranging from 10 μg/L to 1 mg/L. Excellent linear relationships were observed for all compounds in the standard mixture, except decanoic acid. In the extraction of beverages such as red wine, the extraction element showed stronger adsorption characteristics for polar compounds such as alcohols and acids than a non-polar polydimethylsiloxane-based element. This feature is derived from the main polymer structure along with hydroxyl and amino groups present in the epoxy-based monolith polymer matrix. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Validating clustering of molecular dynamics simulations using polymer models
Directory of Open Access Journals (Sweden)
Phillips Joshua L
2011-11-01
Full Text Available Abstract Background Molecular dynamics (MD simulation is a powerful technique for sampling the meta-stable and transitional conformations of proteins and other biomolecules. Computational data clustering has emerged as a useful, automated technique for extracting conformational states from MD simulation data. Despite extensive application, relatively little work has been done to determine if the clustering algorithms are actually extracting useful information. A primary goal of this paper therefore is to provide such an understanding through a detailed analysis of data clustering applied to a series of increasingly complex biopolymer models. Results We develop a novel series of models using basic polymer theory that have intuitive, clearly-defined dynamics and exhibit the essential properties that we are seeking to identify in MD simulations of real biomolecules. We then apply spectral clustering, an algorithm particularly well-suited for clustering polymer structures, to our models and MD simulations of several intrinsically disordered proteins. Clustering results for the polymer models provide clear evidence that the meta-stable and transitional conformations are detected by the algorithm. The results for the polymer models also help guide the analysis of the disordered protein simulations by comparing and contrasting the statistical properties of the extracted clusters. Conclusions We have developed a framework for validating the performance and utility of clustering algorithms for studying molecular biopolymer simulations that utilizes several analytic and dynamic polymer models which exhibit well-behaved dynamics including: meta-stable states, transition states, helical structures, and stochastic dynamics. We show that spectral clustering is robust to anomalies introduced by structural alignment and that different structural classes of intrinsically disordered proteins can be reliably discriminated from the clustering results. To our
Ecosystem element transport model for Lake Eckarfjaerden
Energy Technology Data Exchange (ETDEWEB)
Konovalenko, L.; Bradshaw, C. [The Department of Ecology, Environment and Plant Sciences, Stockholm University (Sweden); Andersson, E.; Kautsky, U. [Swedish Nuclear Fuel and Waste Management Co. - SKB (Sweden)
2014-07-01
The ecosystem transport model of elements was developed for Lake Eckarfjaerden located in the Forsmark area in Sweden. Forsmark has currently a low level repository (SFR) and a repository for spent fuel is planned. A large number of data collected during site-investigation program 2002-2009 for planning the repository were available for the creation of the compartment model based on carbon circulation, physical and biological processes (e.g. primary production, consumption, respiration). The model is site-specific in the sense that the food web model is adapted to the actual food web at the site, and most estimates of biomass and metabolic rates for the organisms and meteorological data originate from site data. The functional organism groups of Lake Eckarfjaerden were considered as separate compartments: bacterio-plankton, benthic bacteria, macro-algae, phytoplankton, zooplankton, fish, benthic fauna. Two functional groups of bacteria were taken into account for the reason that they have the highest biomass of all functional groups during the winter, comprising 36% of the total biomass. Effects of ecological parameters, such as bacteria and algae biomass, on redistribution of a hypothetical radionuclide release in the lake were examined. The ecosystem model was used to estimate the environmental transfer of several elements (U, Th, Ra) and their isotopes (U-238, U-234,Th-232, Ra-226) to various aquatic organisms in the lake, using element-specific distribution coefficients for suspended particle and sediment. Results of chemical analyses of the water, sediment and biota were used for model validation. The model gives estimates of concentration factors for fish based on modelling rather on in situ measurement, which reduces the uncertainties for many radionuclides with scarce of data. Document available in abstract form only. (authors)
Processing, Characterization, and Modeling of Polymer/Clay Nanocomposite Foams
Jo, Choonghee; Naguib, Hani E.
2007-04-01
The effects of the material parameters and processing conditions on the foam morphologies, and mechanical properties of polymer/clay nanocomposite foams were studied. Microcellular closed-cell nanocomposite foams were manufactured with poly(methylmethacrylate) (PMMA) and high density polyethylene (HDPE), where the nanoclay loadings of 0.5, 1.0, and 2.0 wt% were used. The effect of clay contents and foaming conditions on the volume expansion ratio, cell size, elastic modulus, tensile strength, and elongation at break were investigated and compared between amorphous and semicrystalline polymers. An elastic modulus model for tensile behavior of foams was proposed by using the micromechanics theory. The model was expressed in terms of microstructural properties of polymer and physical properties of the foams. The tensile experimental data of the foams were compared with those predicted by the theoretical model.
Restrictions in Model Reduction for Polymer Chain Models in Dissipative Particle Dynamics
Moreno Chaparro, Nicolas
2014-06-06
We model high molecular weight homopolymers in semidilute concentration via Dissipative Particle Dynamics (DPD). We show that in model reduction methodologies for polymers it is not enough to preserve system properties (i.e., density ρ, pressure p, temperature T, radial distribution function g(r)) but preserving also the characteristic shape and length scale of the polymer chain model is necessary. In this work we apply a DPD-model-reduction methodology for linear polymers recently proposed; and demonstrate why the applicability of this methodology is limited upto certain maximum polymer length, and not suitable for solvent coarse graining.
Restrictions in Model Reduction for Polymer Chain Models in Dissipative Particle Dynamics
Moreno Chaparro, Nicolas; Nunes, Suzana Pereira; Calo, Victor M.
2014-01-01
We model high molecular weight homopolymers in semidilute concentration via Dissipative Particle Dynamics (DPD). We show that in model reduction methodologies for polymers it is not enough to preserve system properties (i.e., density ρ, pressure p, temperature T, radial distribution function g(r)) but preserving also the characteristic shape and length scale of the polymer chain model is necessary. In this work we apply a DPD-model-reduction methodology for linear polymers recently proposed; and demonstrate why the applicability of this methodology is limited upto certain maximum polymer length, and not suitable for solvent coarse graining.
Consistent biokinetic models for the actinide elements
International Nuclear Information System (INIS)
Leggett, R.W.
2001-01-01
The biokinetic models for Th, Np, Pu, Am and Cm currently recommended by the International Commission on Radiological Protection (ICRP) were developed within a generic framework that depicts gradual burial of skeletal activity in bone volume, depicts recycling of activity released to blood and links excretion to retention and translocation of activity. For other actinide elements such as Ac, Pa, Bk, Cf and Es, the ICRP still uses simplistic retention models that assign all skeletal activity to bone surface and depicts one-directional flow of activity from blood to long-term depositories to excreta. This mixture of updated and older models in ICRP documents has led to inconsistencies in dose estimates and interpretation of bioassay for radionuclides with reasonably similar biokinetics. This paper proposes new biokinetic models for Ac, Pa, Bk, Cf and Es that are consistent with the updated models for Th, Np, Pu, Am and Cm. The proposed models are developed within the ICRP's generic model framework for bone-surface-seeking radionuclides, and an effort has been made to develop parameter values that are consistent with results of comparative biokinetic data on the different actinide elements. (author)
Modelling optimization involving different types of elements in finite element analysis
International Nuclear Information System (INIS)
Wai, C M; Rivai, Ahmad; Bapokutty, Omar
2013-01-01
Finite elements are used to express the mechanical behaviour of a structure in finite element analysis. Therefore, the selection of the elements determines the quality of the analysis. The aim of this paper is to compare and contrast 1D element, 2D element, and 3D element used in finite element analysis. A simple case study was carried out on a standard W460x74 I-beam. The I-beam was modelled and analyzed statically with 1D elements, 2D elements and 3D elements. The results for the three separate finite element models were compared in terms of stresses, deformation and displacement of the I-beam. All three finite element models yield satisfactory results with acceptable errors. The advantages and limitations of these elements are discussed. 1D elements offer simplicity although lacking in their ability to model complicated geometry. 2D elements and 3D elements provide more detail yet sophisticated results which require more time and computer memory in the modelling process. It is also found that the choice of element in finite element analysis is influence by a few factors such as the geometry of the structure, desired analysis results, and the capability of the computer
Morisaki, Keiko; Sawada, Yuji; Sano, Ryosuke; Yamamoto, Atsushi; Kurata, Tetsuya; Suzuki, Shiro; Matsuda, Mami; Hasunuma, Tomohisa; Hirai, Masami Yokota
2016-01-01
Xylem vessels, the water-conducting cells in vascular plants, undergo characteristic secondary wall deposition and programmed cell death. These processes are regulated by the VASCULAR-RELATED NAC-DOMAIN (VND) transcription factors. Here, to identify changes in metabolism that occur during protoxylem vessel element differentiation, we subjected tobacco (Nicotiana tabacum) BY-2 suspension culture cells carrying an inducible VND7 system to liquid chromatography-mass spectrometry-based wide-target metabolome analysis and transcriptome analysis. Time-course data for 128 metabolites showed dynamic changes in metabolites related to amino acid biosynthesis. The concentration of glyceraldehyde 3-phosphate, an important intermediate of the glycolysis pathway, immediately decreased in the initial stages of cell differentiation. As cell differentiation progressed, specific amino acids accumulated, including the shikimate-related amino acids and the translocatable nitrogen-rich amino acid arginine. Transcriptome data indicated that cell differentiation involved the active up-regulation of genes encoding the enzymes catalyzing fructose 6-phosphate biosynthesis from glyceraldehyde 3-phosphate, phosphoenolpyruvate biosynthesis from oxaloacetate, and phenylalanine biosynthesis, which includes shikimate pathway enzymes. Concomitantly, active changes in the amount of fructose 6-phosphate and phosphoenolpyruvate were detected during cell differentiation. Taken together, our results show that protoxylem vessel element differentiation is associated with changes in primary metabolism, which could facilitate the production of polysaccharides and lignin monomers and, thus, promote the formation of the secondary cell wall. Also, these metabolic shifts correlate with the active transcriptional regulation of specific enzyme genes. Therefore, our observations indicate that primary metabolism is actively regulated during protoxylem vessel element differentiation to alter the cell’s metabolic
Percolation Model of Adhesion at Polymer Interfaces
Wool, Richard P.
1998-03-01
Adhesion at polymer interfaces is treated as a percolation problem, where an areal density of chains Σ, of length L, contribute a number of entanglements to the interface of thickness X. The fracture energy G, is determined by the fraction of entanglements P, fractured or disentangled in the deformation zone preceding the crack tip, via G ~ P-P_c, where Pc is the percolation threshold, given by Pc = 1- M_e/Mc . For incompatible A/B interfaces reinforced with Σ diblocks or random A-B copolymers of effective length L'(L' ~ 0 for brushes and strongly adsorbed chains), we obtain P ~ ΣL/X, Pc ~ Σ _cL/X, such that G = K(Σ - Σ _c)+ G_o, where K and Go ~ 1 J/m^2 are constants. Note that Log G vs Log Σ will have an apparent slope of about 2, incorrectly suggesting that G ~ Σ ^2. For cohesive fracture, disentanglement dominates at M M*, G = G*[1-M_c/M]. For fatigue crack propagation da/dN, at welding interfaces, we obtain da/dN ~ M-5/2(t/Tr)-5/4, where t is the welding time and Tr is the reptation time. For polymer-solid interfaces, G ~ (X/R)^2. where X is the conformational width of the first layer of chains of random coil size R. The fractal nature of the percolation process is relevant to the fracture mechanism and fractography.
A model for hydrolytic degradation and erosion of biodegradable polymers.
Sevim, Kevser; Pan, Jingzhe
2018-01-15
For aliphatic polyesters such as PLAs and PGAs, there is a strong interplay between the hydrolytic degradation and erosion - degradation leads to a critically low molecular weight at which erosion starts. This paper considers the underlying physical and chemical processes of hydrolytic degradation and erosion. Several kinetic mechanisms are incorporated into a mathematical model in an attempt to explain different behaviours of mass loss observed in experiments. In the combined model, autocatalytic hydrolysis, oligomer production and their diffusion are considered together with surface and interior erosion using a set of differential equations and Monte Carlo technique. Oligomer and drug diffusion are modelled using Fick's law with the diffusion coefficients dependent on porosity. The porosity is due to the formation of cavities which are a result of polymer erosion. The model can follow mass loss and drug release up to 100%, which cannot be explained using a simple reaction-diffusion. The model is applied to two case studies from the literature to demonstrate its validity. The case studies show that a critical molecular weight for the onset of polymer erosion and an incubation period for the polymer dissolution are two critical factors that need to be considered when predicting mass loss and drug release. In order to design bioresorbable implants, it is important to have a mathematical model to predict polymer degradation and corresponding drug release. However, very different behaviours of polymer degradation have been observed and there is no single model that can capture all these behaviours. For the first time, the model presented in this paper is capable of capture all these observed behaviours by switching on and off different underlying mechanisms. Unlike the existing reaction-diffusion models, the model presented here can follow the degradation and drug release all the way to the full disappearance of an implant. Crown Copyright © 2017. Published by
Mean-field models and superheavy elements
International Nuclear Information System (INIS)
Reinhard, P.G.; Bender, M.; Maruhn, J.A.; Frankfurt Univ.
2001-03-01
We discuss the performance of two widely used nuclear mean-field models, the relativistic mean-field theory (RMF) and the non-relativistic Skyrme-Hartree-Fock approach (SHF), with particular emphasis on the description of superheavy elements (SHE). We provide a short introduction to the SHF and RMF, the relations between these two approaches and the relations to other nuclear structure models, briefly review the basic properties with respect to normal nuclear observables, and finally present and discuss recent results on the binding properties of SHE computed with a broad selection of SHF and RMF parametrisations. (orig.)
Kim, H. Alicia; Hardie, Robert; Yamakov, Vesselin; Park, Cheol
2015-01-01
This paper is the second part of a two-part series where the first part presents a molecular dynamics model of a single Boron Nitride Nanotube (BNNT) and this paper scales up to multiple BNNTs in a polymer matrix. This paper presents finite element (FE) models to investigate the effective elastic and piezoelectric properties of (BNNT) nanocomposites. The nanocomposites studied in this paper are thin films of polymer matrix with aligned co-planar BNNTs. The FE modelling approach provides a computationally efficient way to gain an understanding of the material properties. We examine several FE models to identify the most suitable models and investigate the effective properties with respect to the BNNT volume fraction and the number of nanotube walls. The FE models are constructed to represent aligned and randomly distributed BNNTs in a matrix of resin using 2D and 3D hollow and 3D filled cylinders. The homogenisation approach is employed to determine the overall elastic and piezoelectric constants for a range of volume fractions. These models are compared with an analytical model based on Mori-Tanaka formulation suitable for finite length cylindrical inclusions. The model applies to primarily single-wall BNNTs but is also extended to multi-wall BNNTs, for which preliminary results will be presented. Results from the Part 1 of this series can help to establish a constitutive relationship for input into the finite element model to enable the modeling of multiple BNNTs in a polymer matrix.
Sutherland, Richard L.
2002-12-01
Polarization properties and electro-optical switching behavior of holographic polymer-dispersed liquid-crystal (HPDLC) reflection and transmission gratings are studied. A theoretical model is developed that combines anisotropic coupled-wave theory with an elongated liquid-crystal-droplet switching model and includes the effects of a statistical orientational distribution of droplet-symmetry axes. Angle- and polarization-dependent switching behaviors of HPDLC gratings are elucidated, and the effects on dynamic range are described. A new type of electro-optical switching not seen in ordinary polymer-dispersed liquid crystals, to the best of the author's knowledge, is presented and given a physical interpretation. The model provides valuable insight to the physics of these gratings and can be applied to the design of HPDLC holographic optical elements.
Revisiting the mesoscopic Termonia and Smith model for deformation of polymers
International Nuclear Information System (INIS)
Krishna Reddy, B; Basu, Sumit; Estevez, Rafael
2008-01-01
Mesoscopic models for polymers have the potential to link macromolecular properties with the mechanical behaviour without being too expensive computationally. An interesting, popular and rather simple model to this end was proposed by Termonia and Smith (1987 Macromolecules 20 835–8). In this model the macromolecular ensemble is viewed as a collection of two-dimensional self-avoiding random walks on a regular lattice whose lattice points represent entanglements. The load is borne by members representing van der Waals bonds as well as macromolecular strands between two entanglement points. Model polymers simulated via this model exhibited remarkable qualitative similarity with real polymers with respect to their molecular weight, entanglement spacing, strain rate and temperature dependence. In this work, we revisit this model and present a detailed reformulation within the framework of a finite deformation finite element scheme. The physical origins of each of the parameters in the model are investigated and inherent assumptions in the model which contribute to its success are critically probed
Modeling CO2 Laser Ablative Impulse with Polymers
International Nuclear Information System (INIS)
Sinko, John E.; Phipps, Claude R.; Sasoh, Akihiro
2010-01-01
Laser ablation vaporization models have usually ignored the spatial dependence of the laser beam. Here, we consider effects from modeling using a Gaussian beam for both photochemical and photothermal conditions. The modeling results are compared to experimental and literature data for CO 2 laser ablation of the polymer polyoxymethylene under vacuum, and discussed in terms of the ablated mass areal density and momentum coupling coefficient. Extending the scope of discussion, laser ablative impulse generation research has lacked a cohesive strategy for linking the vaporization and plasma regimes. Existing models, mostly formulated for ultraviolet laser systems or metal targets, appear to be inappropriate or impractical for applications requiring CO 2 laser ablation of polymers. A recently proposed method for linking the vaporization and plasma regimes for analytical modeling is addressed here along with the implications of its use. Key control parameters are considered, along with the major propulsion parameters needed for laser ablation propulsion modeling.
Hu, Anqi; Li, Xiaolin; Ajdari, Amin; Jiang, Bing; Burkhart, Craig; Chen, Wei; Brinson, L. Catherine
2018-05-01
The concept of representative volume element (RVE) is widely used to determine the effective material properties of random heterogeneous materials. In the present work, the RVE is investigated for the viscoelastic response of particle-reinforced polymer nanocomposites in the frequency domain. The smallest RVE size and the minimum number of realizations at a given volume size for both structural and mechanical properties are determined for a given precision using the concept of margin of error. It is concluded that using the mean of many realizations of a small RVE instead of a single large RVE can retain the desired precision of a result with much lower computational cost (up to three orders of magnitude reduced computation time) for the property of interest. Both the smallest RVE size and the minimum number of realizations for a microstructure with higher volume fraction (VF) are larger compared to those of one with lower VF at the same desired precision. Similarly, a clustered structure is shown to require a larger minimum RVE size as well as a larger number of realizations at a given volume size compared to the well-dispersed microstructures.
International Nuclear Information System (INIS)
Sadeghi, Rahmat
2005-01-01
The polymer Wilson model and the polymer NRTL model have been extended for the representation of the excess enthalpy of multicomponent polymer solutions. Applicability of obtained equations in the correlation of the excess enthalpies of polymer solutions has been examined. It is found that the both models are suitable models in representing the published excess enthalpy data for the tested polymer solutions
Modelling the permeability of polymers: a neural network approach
Wessling, Matthias; Mulder, M.H.V.; Bos, A.; Bos, A.; van der Linden, M.K.T.; Bos, M.; van der Linden, W.E.
1994-01-01
In this short communication, the prediction of the permeability of carbon dioxide through different polymers using a neural network is studied. A neural network is a numeric-mathematical construction that can model complex non-linear relationships. Here it is used to correlate the IR spectrum of a
Modeling the element cycle of aquatic plants
International Nuclear Information System (INIS)
Asaeda, Takashi
2007-01-01
Aquatic plants play an important role in element cycles in wetlands and the efficiency of the process is extremely related to their proportional biomass allocation to above- and belowground organs. Therefore, the framework of most macrophyte productivity models is usually similar with a mass-balance approach consisting of gross production, respiration and mortality losses and the translocation between organs. These growth models are incorporated with decomposition models to evaluate the annual cycle of elements. Perennial emergent macrophytes with a relatively large biomass have a particularly important role in element cycles. Their phenological stages, such as the beginning of hibernation of belowground rhizome systems, emergence of new shoots in spring with resources stocked in the rhizomes, flowering, downward translocation of photosynthetic products later on and then the mortality of the aboveground system in late autumn, depend on the environmental conditions, basically the nutrients, water depth, climatic variations, etc. Although some species retain standing dead shoots for a long time, dead shoots easily fall into water, starting to decompose in the immediate aftermath. However, their decomposition rates in the water are relatively low, causing to accumulate large amounts of organic sediments on the bottom. Together with the deposition of allochthonous suspended matters in the stand, this process decreases the water depth, transforming wetlands gradually into land. The depth of penetration of roots into the sediments to uptake nutrients and water is extremely site specific, however, in water-logged areas, the maximum penetrable depth may be approximately estimated by considering the ability of oxygen transport into the rhizome system. The growth of perennial submerged plants is also estimated by a process similar to that of emergent macrophytes. However, compared with emergent macrophytes, the root system of submerged macrophytes is weaker, and the nutrient
Segment-based Eyring-Wilson viscosity model for polymer solutions
International Nuclear Information System (INIS)
Sadeghi, Rahmat
2005-01-01
A theory-based model is presented for correlating viscosity of polymer solutions and is based on the segment-based Eyring mixture viscosity model as well as the segment-based Wilson model for describing deviations from ideality. The model has been applied to several polymer solutions and the results show that it is reliable both for correlation and prediction of the viscosity of polymer solutions at different molar masses and temperature of the polymer
Application of activated barrier hopping theory to viscoplastic modeling of glassy polymers
Sweeney, J.; Spencer, P. E.; Vgenopoulos, D.; Babenko, M.; Boutenel, F.; Caton-Rose, P.; Coates, P. D.
2017-10-01
An established statistical mechanical theory of amorphous polymer deformation has been incorporated as a plastic mechanism into a constitutive model and applied to a range of polymer mechanical deformations. The temperature and rate dependence of the tensile yield of PVC, as reported in early studies, has been modeled to high levels of accuracy. Tensile experiments on PET reported here are analyzed similarly and good accuracy is also achieved. The frequently observed increase in the gradient of the plot of yield stress against logarithm of strain rate is an inherent feature of the constitutive model. The form of temperature dependence of the yield that is predicted by the model is found to give an accurate representation. The constitutive model is developed in two-dimensional form and implemented as a user-defined subroutine in the finite element package ABAQUS. This analysis is applied to the tensile experiments on PET, in some of which strain is localized in the form of shear bands and necks. These deformations are modeled with partial success, though adiabatic heating of the instability causes inaccuracies for this isothermal implementation of the model. The plastic mechanism has advantages over the Eyring process, is equally tractable, and presents no particular difficulties in implementation with finite elements.
Modelling Polymer Deformation and Welding Behaviour during 3D Printing
McIlroy, Claire; Olmsted, Peter
2016-11-01
3D printing has the potential to transform manufacturing processes, yet improving the strength of printed parts, to equal that of traditionally-manufactured parts, remains an underlying issue. The most common method, fused deposition modelling, involves melting a thermoplastic, followed by layer-by-layer extrusion of the material to fabricate a three-dimensional object. The key to the ensuring strength at the weld between these layers is successful inter-diffusion. However, as the printed layer cools towards the glass transition temperature, the time available for diffusion is limited. In addition, the extrusion process significantly deforms the polymer micro-structure prior to welding and consequently affects how the polymers "re-entangle" across the weld. We have developed a simple model of the non-isothermal printing process to explore the effects that typical printing conditions and amorphous polymer rheology have on the ultimate weld structure. In particular, we incorporate both the stretch and orientation of the polymer using the Rolie-Poly constitutive equation to examine how the melt flows through the nozzle and is deposited onto the build plate. We then address how this deformation relaxes and contributes to the thickness and structure of the weld. National Institute for Standards and Technology (NIST) and Georgetown University.
International Nuclear Information System (INIS)
Hawileh, Rami A.; El-Maaddawy, Tamer A.; Naser, Mohannad Z.
2012-01-01
Highlights: ► A 3D nonlinear FE model is developed of RC deep beams with web openings. ► We used cohesion elements to simulate bond. ► The developed FE model is suitable for analysis of such complex structures. -- Abstract: This paper aims to develop 3D nonlinear finite element (FE) models for reinforced concrete (RC) deep beams containing web openings and strengthened in shear with carbon fiber reinforced polymer (CFRP) composite sheets. The web openings interrupted the natural load path either fully or partially. The FE models adopted realistic materials constitutive laws that account for the nonlinear behavior of materials. In the FE models, solid elements for concrete, multi-layer shell elements for CFRP and link elements for steel reinforcement were used to simulate the physical models. Special interface elements were implemented in the FE models to simulate the interfacial bond behavior between the concrete and CFRP composites. A comparison between the FE results and experimental data published in the literature demonstrated the validity of the computational models in capturing the structural response for both unstrengthened and CFRP-strengthened deep beams with openings. The developed FE models can serve as a numerical platform for performance prediction of RC deep beams with openings strengthened in shear with CFRP composites.
Phenomenological model of nanocluster in polymer matrix
International Nuclear Information System (INIS)
Oksengendler, B.L.; Turaeva, N.N.; Azimov, J.; Rashidova, S.Sh.
2010-01-01
The phenomenological model of matrix nanoclusters is presented based on the Wood-Saxon potential used in nuclear physics. In frame of this model the following problems have been considered: calculation of width of diffusive layer between nanocluster and matrix, definition of Tamm surface electronic state taking into account the diffusive layer width, receiving the expression for specific magnetic moment of nanoclusters taking into account the interface width. (authors)
Finite Element Modeling of Reheat Stretch Blow Molding of PET
Krishnan, Dwarak; Dupaix, Rebecca B.
2004-06-01
Poly (ethylene terephthalate) or PET is a polymer used as a packaging material for consumer products such as beverages, food or other liquids, and in other applications including drawn fibers and stretched films. Key features that make it widely used are its transparency, dimensional stability, gas impermeability, impact resistance, and high stiffness and strength in certain preferential directions. These commercially useful properties arise from the fact that PET crystallizes upon deformation above the glass transition temperature. Additionally, this strain-induced crystallization causes the deformation behavior of PET to be highly sensitive to processing conditions. It is thus crucial for engineers to be able to predict its performance at various process temperatures, strain rates and strain states so as to optimize the manufacturing process. In addressing these issues; a finite element analysis of the reheat blow molding process with PET has been carried out using ABAQUS. The simulation employed a constitutive model for PET developed by Dupaix and Boyce et al.. The model includes the combined effects of molecular orientation and strain-induced crystallization on strain hardening when the material is deformed above the glass transition temperature. The simulated bottles were also compared with actual blow molded bottles to evaluate the validity of the simulation.
International Nuclear Information System (INIS)
Arrieta, J S; Diani, J; Gilormini, P
2014-01-01
Shape memory polymer composites (SMPCs) have become an important way to leverage improvements in the development of applications featuring shape memory polymers (SMPs). In this study, an amorphous SMP matrix has been filled with different types of reinforcements. An experimental set of results is presented and then compared to three-dimensional (3D) finite-element simulations. Thermomechanical shape memory cycles were performed in uniaxial tension. The fillers effect was studied in stress-free and constrained-strain recoveries. Experimental observations indicate complete shape recovery and put in evidence the increased sensitivity of constrained length stress recoveries to the heating ramp on the tested composites. The simulations reproduced a simplified periodic reinforced composite and used a model for the matrix material that has been previously tested on regular SMPs. The latter combines viscoelasticity at finite strain and time-temperature superposition. The simulations easily allow representation of the recovery properties of a reinforced SMP. (paper)
Directory of Open Access Journals (Sweden)
Lingzhu Zhou
2018-06-01
Full Text Available The need for a sustainable development and improved whole life performance of concrete infrastructure has led to the requirement of more durable and sustainable concrete bridges alongside accurate predictive analysis tools. Using the combination of Self-Compacting Concrete (SCC with industrial by-products and fiber-reinforced polymer (FRP, reinforcement is anticipated to address the concerns of high carbon footprint and corrosion in traditional steel-reinforced concrete structures. This paper presents a numerical investigation of the structural behavior of basalt fiber-reinforced polymer (BFRP-reinforced SCC deck slabs in a real bridge, named Thompson Bridge, constructed in Northern Ireland, U.K. A non-linear finite element (FE model is proposed by using ABAQUS 6.10 in this study, which is aimed at extending the previous investigation of the field test in Thompson Bridge. The results of this field test were used to validate the accuracy of the proposed finite element model. The results showed good agreement between the test results and the numerical results; more importantly, the compressive membrane action (CMA inside the slabs could be well demonstrated by this FE model. Subsequently, a series of parametric studies was conducted to investigate the influence of different parameters on the structural performance of the deck slabs in Thompson Bridge. The results of the analyses are discussed, and conclusions on the behavior of the SCC deck slabs reinforced by BFRP bars are presented.
Monte Carlo simulations of lattice models for single polymer systems
Hsu, Hsiao-Ping
2014-10-01
Single linear polymer chains in dilute solutions under good solvent conditions are studied by Monte Carlo simulations with the pruned-enriched Rosenbluth method up to the chain length N ˜ O(10^4). Based on the standard simple cubic lattice model (SCLM) with fixed bond length and the bond fluctuation model (BFM) with bond lengths in a range between 2 and sqrt{10}, we investigate the conformations of polymer chains described by self-avoiding walks on the simple cubic lattice, and by random walks and non-reversible random walks in the absence of excluded volume interactions. In addition to flexible chains, we also extend our study to semiflexible chains for different stiffness controlled by a bending potential. The persistence lengths of chains extracted from the orientational correlations are estimated for all cases. We show that chains based on the BFM are more flexible than those based on the SCLM for a fixed bending energy. The microscopic differences between these two lattice models are discussed and the theoretical predictions of scaling laws given in the literature are checked and verified. Our simulations clarify that a different mapping ratio between the coarse-grained models and the atomistically realistic description of polymers is required in a coarse-graining approach due to the different crossovers to the asymptotic behavior.
Monte Carlo simulations of lattice models for single polymer systems
International Nuclear Information System (INIS)
Hsu, Hsiao-Ping
2014-01-01
Single linear polymer chains in dilute solutions under good solvent conditions are studied by Monte Carlo simulations with the pruned-enriched Rosenbluth method up to the chain length N∼O(10 4 ). Based on the standard simple cubic lattice model (SCLM) with fixed bond length and the bond fluctuation model (BFM) with bond lengths in a range between 2 and √(10), we investigate the conformations of polymer chains described by self-avoiding walks on the simple cubic lattice, and by random walks and non-reversible random walks in the absence of excluded volume interactions. In addition to flexible chains, we also extend our study to semiflexible chains for different stiffness controlled by a bending potential. The persistence lengths of chains extracted from the orientational correlations are estimated for all cases. We show that chains based on the BFM are more flexible than those based on the SCLM for a fixed bending energy. The microscopic differences between these two lattice models are discussed and the theoretical predictions of scaling laws given in the literature are checked and verified. Our simulations clarify that a different mapping ratio between the coarse-grained models and the atomistically realistic description of polymers is required in a coarse-graining approach due to the different crossovers to the asymptotic behavior
Relaxation model of radiation-induced conductivity in polymers
Zhutayeva, Yu. R.; Khatipov, S. A.
1999-05-01
The paper suggests a relaxation model of radiation-induced conductivity (RIC) in polymers. According to the model, the transfer of charges generated in the polymer volume by ionizing radiation takes place with the participation of molecular relaxation processes. The mechanism of electron transport consists in the transfer of the charge directly between traps when they draw close to one another due to the rotation of macromolecule segments. The numerical solutions of the corresponding kinetic equations for different distribution functions Q( τ) of the times of molecular relaxation and for different functions of the probability P( τ, τ') of charge transfer in the `overlapping' regions of the diffusion spheres of the segments are analyzed. The relaxation model provides an explanation of the non-Arrhenius behavior of the RIC temperature dependence, the power dependence of RIC on the dose rate with a power index in the interval 0.5-1.0, the appearance of maxima in the curves of the RIC temporal dependence and their irreversible character in the region of large dose rates (more than 1 Gy/s). The model can be used for interpreting polymer RIC in conditions of kinetic mobility of macromolecules.
Modeling and finite element simulation of the magneto-mechanical behavior of ferrogels
International Nuclear Information System (INIS)
Attaran, Abdolhamid; Brummund, Jörg; Wallmersperger, Thomas
2017-01-01
In our previous study (see Ref. Attaran et al. (in press) ) we formulated a continuum model for ferrogels considering them as multicomponent materials. In the present work a reduced model for ferrogels is presented consisting only of a polymer network (P) and fixed magnetic particles (f). The reduced model is solved using the finite element method where the only degrees of freedom are mechanical displacement and magnetic potential. Elongation and contraction of a ferrogel are observed parallel and perpendicular to the applied magnetic field direction, respectively. These results are in a good qualitative agreement with experimental results. With our modeling approach, we were able to investigate (i) the influence of the magnetic field on the polymer gel containing magnetic particles and (ii) the resulting mechanical deformation of a ferrogel. - Highlights: • A reduced continuum model for ferrogels, consisting of a polymer network and fixed magnetic particles, is presented. • A coupled magneto-mechanical problem is formulated and solved numerically using the Finite Element Method in 2D. • Deformation of a ferrogel in a magnetic field for a circular gel and a strip of a ferrogel is investigated. • Elongation of the ferrogel is observed in the direction of the applied magnetic field. • Contraction of the ferrogel is observed perpendicular to the applied magnetic field.
Modeling and finite element simulation of the magneto-mechanical behavior of ferrogels
Energy Technology Data Exchange (ETDEWEB)
Attaran, Abdolhamid, E-mail: abdolhamid.attaran@tu-dresden.de; Brummund, Jörg; Wallmersperger, Thomas
2017-06-01
In our previous study (see Ref. Attaran et al. (in press) ) we formulated a continuum model for ferrogels considering them as multicomponent materials. In the present work a reduced model for ferrogels is presented consisting only of a polymer network (P) and fixed magnetic particles (f). The reduced model is solved using the finite element method where the only degrees of freedom are mechanical displacement and magnetic potential. Elongation and contraction of a ferrogel are observed parallel and perpendicular to the applied magnetic field direction, respectively. These results are in a good qualitative agreement with experimental results. With our modeling approach, we were able to investigate (i) the influence of the magnetic field on the polymer gel containing magnetic particles and (ii) the resulting mechanical deformation of a ferrogel. - Highlights: • A reduced continuum model for ferrogels, consisting of a polymer network and fixed magnetic particles, is presented. • A coupled magneto-mechanical problem is formulated and solved numerically using the Finite Element Method in 2D. • Deformation of a ferrogel in a magnetic field for a circular gel and a strip of a ferrogel is investigated. • Elongation of the ferrogel is observed in the direction of the applied magnetic field. • Contraction of the ferrogel is observed perpendicular to the applied magnetic field.
An empirical model for the melt viscosity of polymer blends
International Nuclear Information System (INIS)
Dobrescu, V.
1981-01-01
On the basis of experimental data for blends of polyethylene with different polymers an empirical equation is proposed to describe the dependence of melt viscosity of blends on component viscosities and composition. The model ensures the continuity of viscosity vs. composition curves throughout the whole composition range, the possibility of obtaining extremum values higher or lower than the viscosities of components, allows the calculation of flow curves of blends from the flow curves of components and their volume fractions. (orig.)
Khan, Kamran; El Sayed, Tamer S.
2012-01-01
We formulate a constitutive framework for biodegradable polymers that accounts for nonlinear viscous behavior under regimes with large deformation. The generalized Maxwell model is used to represent the degraded viscoelastic response of a polymer
Discrete element modelling of bedload transport
Loyer, A.; Frey, P.
2011-12-01
Discrete element modelling (DEM) has been widely used in solid mechanics and in granular physics. In this type of modelling, each individual particle is taken into account and intergranular interactions are modelled with simple laws (e.g. Coulomb friction). Gravity and contact forces permit to solve the dynamical behaviour of the system. DEM is interesting to model configurations and access to parameters not directly available in laboratory experimentation, hence the term "numerical experimentations" sometimes used to describe DEM. DEM was used to model bedload transport experiments performed at the particle scale with spherical glass beads in a steep and narrow flume. Bedload is the larger material that is transported on the bed on stream channels. It has a great geomorphic impact. Physical processes ruling bedload transport and more generally coarse-particle/fluid systems are poorly known, arguably because granular interactions have been somewhat neglected. An existing DEM code (PFC3D) already computing granular interactions was used. We implemented basic hydrodynamic forces to model the fluid interactions (buoyancy, drag, lift). The idea was to use the minimum number of ingredients to match the experimental results. Experiments were performed with one-size and two-size mixtures of coarse spherical glass beads entrained by a shallow turbulent and supercritical water flow down a steep channel with a mobile bed. The particle diameters were 4 and 6mm, the channel width 6.5mm (about the same width as the coarser particles) and the channel inclination was typically 10%. The water flow rate and the particle rate were kept constant at the upstream entrance and adjusted to obtain bedload transport equilibrium. Flows were filmed from the side by a high-speed camera. Using image processing algorithms made it possible to determine the position, velocity and trajectory of both smaller and coarser particles. Modelled and experimental particle velocity and concentration depth
Time dependent mechanical modeling for polymers based on network theory
Energy Technology Data Exchange (ETDEWEB)
Billon, Noëlle [MINES ParisTech, PSL-Research University, CEMEF – Centre de mise en forme des matériaux, CNRS UMR 7635, CS 10207 rue Claude Daunesse 06904 Sophia Antipolis Cedex (France)
2016-05-18
Despite of a lot of attempts during recent years, complex mechanical behaviour of polymers remains incompletely modelled, making industrial design of structures under complex, cyclic and hard loadings not totally reliable. The non linear and dissipative viscoelastic, viscoplastic behaviour of those materials impose to take into account non linear and combined effects of mechanical and thermal phenomena. In this view, a visco-hyperelastic, viscoplastic model, based on network description of the material has recently been developed and designed in a complete thermodynamic frame in order to take into account those main thermo-mechanical couplings. Also, a way to account for coupled effects of strain-rate and temperature was suggested. First experimental validations conducted in the 1D limit on amorphous rubbery like PMMA in isothermal conditions led to pretty goods results. In this paper a more complete formalism is presented and validated in the case of a semi crystalline polymer, a PA66 and a PET (either amorphous or semi crystalline) are used. Protocol for identification of constitutive parameters is described. It is concluded that this new approach should be the route to accurately model thermo-mechanical behaviour of polymers using a reduced number of parameters of some physical meaning.
Forced Translocation of Polymer through Nanopore: Deterministic Model and Simulations
Wang, Yanqian; Panyukov, Sergey; Liao, Qi; Rubinstein, Michael
2012-02-01
We propose a new theoretical model of forced translocation of a polymer chain through a nanopore. We assume that DNA translocation at high fields proceeds too fast for the chain to relax, and thus the chain unravels loop by loop in an almost deterministic way. So the distribution of translocation times of a given monomer is controlled by the initial conformation of the chain (the distribution of its loops). Our model predicts the translocation time of each monomer as an explicit function of initial polymer conformation. We refer to this concept as ``fingerprinting''. The width of the translocation time distribution is determined by the loop distribution in initial conformation as well as by the thermal fluctuations of the polymer chain during the translocation process. We show that the conformational broadening δt of translocation times of m-th monomer δtm^1.5 is stronger than the thermal broadening δtm^1.25 The predictions of our deterministic model were verified by extensive molecular dynamics simulations
Polymer models with optimal good-solvent behavior
D'Adamo, Giuseppe; Pelissetto, Andrea
2017-11-01
We consider three different continuum polymer models, which all depend on a tunable parameter r that determines the strength of the excluded-volume interactions. In the first model, chains are obtained by concatenating hard spherocylinders of height b and diameter rb (we call them thick self-avoiding chains). The other two models are generalizations of the tangent hard-sphere and of the Kremer-Grest models. We show that for a specific value r* , all models show optimal behavior: asymptotic long-chain behavior is observed for relatively short chains. For r < r* , instead, the behavior can be parametrized by using the two-parameter model, which also describes the thermal crossover close to the θ point. The bonds of the thick self-avoiding chains cannot cross each other, and therefore the model is suited for the investigation of topological properties and for dynamical studies. Such a model also provides a coarse-grained description of double-stranded DNA, so that we can use our results to discuss under which conditions DNA can be considered as a model good-solvent polymer.
Khan, Kamran
2012-11-09
We formulate a constitutive framework for biodegradable polymers that accounts for nonlinear viscous behavior under regimes with large deformation. The generalized Maxwell model is used to represent the degraded viscoelastic response of a polymer. The large-deformation, time-dependent behavior of viscoelastic solids is described using an Ogden-type hyperviscoelastic model. A deformation-induced degradation mechanism is assumed in which a scalar field depicts the local state of the degradation, which is responsible for the changes in the material\\'s properties. The degradation process introduces another timescale (the intrinsic material clock) and an entropy production mechanism. Examples of the degradation of a polymer under various loading conditions, including creep, relaxation and cyclic loading, are presented. Results from parametric studies to determine the effects of various parameters on the process of degradation are reported. Finally, degradation of an annular cylinder subjected to pressure is also presented to mimic the effects of viscoelastic arterial walls (the outer cylinder) on the degradation response of a biodegradable stent (the inner cylinder). A general contact analysis is performed. As the stiffness of the biodegradable stent decreases, stress reduction in the stented viscoelastic arterial wall is observed. The integration of the proposed constitutive model with finite element software could help a designer to predict the time-dependent response of a biodegradable stent exhibiting finite deformation and under complex mechanical loading conditions. © 2012 Springer-Verlag Wien.
Some properties for modeling of fuel elements
International Nuclear Information System (INIS)
Nichols, F.A.
1979-01-01
Two areas key to the materials modeling of fuel element behavior are discussed. The relative importance of atomic diffusion vs. bubble migration is first surveyed and the interplay of bubble mobility and re-solution parameter is highlighted. It is concluded that biased bubble migration at higher temperatures is required to explain available gas-release data, especially during transients. At intermediate temperatures, random bubble migration is required to explain both gas-release rates and the observation of large (approx. 700A) intragranular bubbles following in-pile and post-irradiation transients. Different fuel models employ different values of re-solution parameter, both below and above an experimentally determined value. Bubble mobilities are deduced to approach theoretical, surface diffusion-controlled values during transients, but they may be somewhat less mobile during steady-state operation. Next, the present understanding of radiation-induced hardening and creep is discussed, highlighting the interplay of these two phenomena. An overall constitutive scheme is presented and predictions of failure limits are deduced therefrom employing instability analysis
Finite element modelling of composite castellated beam
Directory of Open Access Journals (Sweden)
Frans Richard
2017-01-01
Full Text Available Nowadays, castellated beam becomes popular in building structural as beam members. This is due to several advantages of castellated beam such as increased depth without any additional mass, passing the underfloor service ducts without changing of story elevation. However, the presence of holes can develop various local effects such as local buckling, lateral torsional buckling caused by compression force at the flange section of the steel beam. Many studies have investigated the failure mechanism of castellated beam and one technique which can prevent the beam fall into local failure is the use of reinforced concrete slab as lateral support on castellated beam, so called composite castellated beam. Besides of preventing the local failure of castellated beam, the concrete slab can increase the plasticity moment of the composite castellated beam section which can deliver into increasing the ultimate load of the beam. The aim of this numerical studies of composite castellated beam on certain loading condition (monotonic quasi-static loading. ABAQUS was used for finite element modelling purpose and compared with the experimental test for checking the reliability of the model. The result shows that the ultimate load of the composite castellated beam reached 6.24 times than the ultimate load of the solid I beam and 1.2 times compared the composite beam.
Calibration of discrete element model parameters: soybeans
Ghodki, Bhupendra M.; Patel, Manish; Namdeo, Rohit; Carpenter, Gopal
2018-05-01
Discrete element method (DEM) simulations are broadly used to get an insight of flow characteristics of granular materials in complex particulate systems. DEM input parameters for a model are the critical prerequisite for an efficient simulation. Thus, the present investigation aims to determine DEM input parameters for Hertz-Mindlin model using soybeans as a granular material. To achieve this aim, widely acceptable calibration approach was used having standard box-type apparatus. Further, qualitative and quantitative findings such as particle profile, height of kernels retaining the acrylic wall, and angle of repose of experiments and numerical simulations were compared to get the parameters. The calibrated set of DEM input parameters includes the following (a) material properties: particle geometric mean diameter (6.24 mm); spherical shape; particle density (1220 kg m^{-3} ), and (b) interaction parameters such as particle-particle: coefficient of restitution (0.17); coefficient of static friction (0.26); coefficient of rolling friction (0.08), and particle-wall: coefficient of restitution (0.35); coefficient of static friction (0.30); coefficient of rolling friction (0.08). The results may adequately be used to simulate particle scale mechanics (grain commingling, flow/motion, forces, etc) of soybeans in post-harvest machinery and devices.
Models for formation of macroheterogeneous structure in radiation-grafted polymers
International Nuclear Information System (INIS)
Babkin, I.Yu.; Burukhin, S.B.; Maksimov, A.F.
1994-01-01
Mathematical models, which describe the formation of grafted polymer layer with respect to variations in sorption and kinetic characteristics due to the changes in composition of the modified polymer and grafted polymer under variable boundary conditions were obtained. The influence of heat effect of polymerization reaction on concentration profiles was estimated. Taking into account the nonlinear diffusion kinetics, the conditions providing diffuse and step profiles of concentration of grafted polymer in polymer matrix were revealed. Step concentration profiles were shown to be associated with a nonlinear dependence of diffusion and kinetic parameters of polymerization on the composition of modified polymer. 22 refs.; 11 figs.; 2 tabs
Finite-element modeling and micromagnetic modeling of perpendicular writers
Heinonen, Olle; Bozeman, Steven P.
2006-04-01
We compare finite-element modeling (FEM) and fully micromagnetic modeling results of four prototypical writers for perpendicular recording. In general, the agreement between the two models is quite good in the vicinity of saturated or near-saturated magnetic material, such as the pole tip, for quantities such as the magnetic field, the gradient of the magnetic field and the write width. However, in the vicinity of magnetic material far from saturation, e.g., return pole or trailing edge write shield, there can be large qualitative and quantitative differences.
Modelling drawbeads with finite elements and verification
Carleer, B.D.; Carleer, B.D.; Vreede, P.T.; Vreede, P.T.; Louwes, M.F.M.; Louwes, M.F.M.; Huetink, Han
1994-01-01
Drawbeads are commonly used in deep drawing processes to control the flow of the blank during the forming operation. In finite element simulations of deep drawing the drawbead geometries are seldom included because of the small radii; because of these small radii a very large number of elements is
Procurement model for copper and polymer electrical products
Directory of Open Access Journals (Sweden)
S. Sremac
2013-10-01
Full Text Available Procurement model for copper and polymer electrical products. Electrical cable structure (wire, insulation, filling and mantle is in accordance with the technical specifications of individual cable components in terms of the incorporated materials. Materials used in cable manufacture are copper, aluminum, rubber and polyvinyl chloride. One of the key issues in managing the flow of goods pertains to the timing of procurement. The combination of the two concepts can take advantage of individual strengths of fuzzy logic and neural networks in hybrid systems of homogeneous structure. The model has high practical significance, as, with minor modifications, it can be applied in any enterprise responsible for managing the goods flows.
Modelling of loading, stress relaxation and stress recovery in a shape memory polymer.
Sweeney, J; Bonner, M; Ward, I M
2014-09-01
A multi-element constitutive model for a lactide-based shape memory polymer has been developed that represents loading to large tensile deformations, stress relaxation and stress recovery at 60, 65 and 70°C. The model consists of parallel Maxwell arms each comprising neo-Hookean and Eyring elements. Guiu-Pratt analysis of the stress relaxation curves yields Eyring parameters. When these parameters are used to define the Eyring process in a single Maxwell arm, the resulting model yields at too low a stress, but gives good predictions for longer times. Stress dip tests show a very stiff response on unloading by a small strain decrement. This would create an unrealistically high stress on loading to large strain if it were modelled by an elastic element. Instead it is modelled by an Eyring process operating via a flow rule that introduces strain hardening after yield. When this process is incorporated into a second parallel Maxwell arm, there results a model that fully represents both stress relaxation and stress dip tests at 60°C. At higher temperatures a third arm is required for valid predictions. Crown Copyright © 2014. Published by Elsevier Ltd. All rights reserved.
Matrix Elements in Fermion Dynamical Symmetry Model
Institute of Scientific and Technical Information of China (English)
LIU Guang-Zhou; LIU Wei
2002-01-01
In a neutron-proton system, the matrix elements of the generators for SO(8) × SO(8) symmetry areconstructed explicitly, and with these matrix elements the low-lying excitation spectra obtained by diagonalization arepresented. The excitation spectra for SO(7) nuclei Pd and Ru isotopes and SO(6) r-soft rotational nuclei Xe, Ba, andCe isotopes are calculated, and comparison with the experimental results is carried out.
Matrix Elements in Fermion Dynamical Symmetry Model
Institute of Scientific and Technical Information of China (English)
LIUGuang－Zhou; LIUWei
2002-01-01
In a neutron-proton system,the matrix elements of the generators for SO(8)×SO(8) symmetry are constructed exp;icitly,and with these matrix elements the low-lying excitation spsectra obtained by diagonalization are presented.The excitation spectra for SO(7) nuclei Pd and Ru isotopes and SO(6) r-soft rotational nuclei Xe,Ba,and Ce isotopes are calculated,and comparison with the experimental results is carried out.
Wong, Sim-Siong; Altınkaya, Sacide; Mallapragada, Surya K.
2004-01-01
A mathematical model was developed to predict the drying mechanism of semicrystalline polymers involving multiple solvents. Since drying of semicrystalline polymers can be accompanied by changes in polymer degree of crystallinity, the model integrates crystallization kinetics and the Vrentas-Duda diffusion model to provide a better understanding of the mechanism. The model considers the effect of external conditions such as temperature, film shrinkage and diffusion and evaporation of multiple...
Computer-aided polymer design using group contribution plus property models
DEFF Research Database (Denmark)
Satyanarayana, Kavitha Chelakara; Abildskov, Jens; Gani, Rafiqul
2009-01-01
. Polymer repeat unit property prediction models are required to calculate the properties of the generated repeat units. A systematic framework incorporating recently developed group contribution plus (GC(+)) models and an extended CAMD technique to include design of polymer repeat units is highlighted...... in this paper. The advantage of a GC(+) model in CAMD applications is that a very large number of polymer structures can be considered even though some of the group parameters may not be available. A number of case studies involving different polymer design problems have been solved through the developed......The preliminary step for polymer product design is to identify the basic repeat unit structure of the polymer that matches the target properties. Computer-aided molecular design (CAMD) approaches can be applied for generating the polymer repeat unit structures that match the required constraints...
Directed walk models of adsorbing semi-flexible polymers subject to an elongational force
Energy Technology Data Exchange (ETDEWEB)
Iliev, G K [Department of Mathematics and Statistics, University of Melbourne, Parkville (Australia); Orlandini, E [Dipartimento di Fisica, CNISM, Universita di Padova, Via Marzolo 8, 35131 Padova (Italy); Whittington, S G [Department of Chemistry, University of Toronto, Toronto (Canada)
2010-08-06
We consider several directed path models of semi-flexible polymers. In each model we associate an energy parameter for every pair of adjacent collinear steps, allowing for a model of a polymer with tunable stiffness. We introduce weightings for vertices or edges in a distinguished plane to model the interaction of a semi-flexible polymer with an impenetrable surface. We also investigate the desorption of such a polymer under the influence of an elongational force and study the order of the associated phase transitions. Using a simple low-temperature theory, we approximate and study the ground state behaviour of the models.
Ionic polymer-metal composite torsional sensor: physics-based modeling and experimental validation
Aidi Sharif, Montassar; Lei, Hong; Khalid Al-Rubaiai, Mohammed; Tan, Xiaobo
2018-07-01
Ionic polymer-metal composites (IPMCs) have intrinsic sensing and actuation properties. Typical IPMC sensors are in the shape of beams and only respond to stimuli acting along beam-bending directions. Rod or tube-shaped IPMCs have been explored as omnidirectional bending actuators or sensors. In this paper, physics-based modeling is studied for a tubular IPMC sensor under pure torsional stimulus. The Poisson–Nernst–Planck model is used to describe the fundamental physics within the IPMC, where it is hypothesized that the anion concentration is coupled to the sum of shear strains induced by the torsional stimulus. Finite element simulation is conducted to solve for the torsional sensing response, where some of the key parameters are identified based on experimental measurements using an artificial neural network. Additional experimental results suggest that the proposed model is able to capture the torsional sensing dynamics for different amplitudes and rates of the torsional stimulus.
Discrete element modeling of subglacial sediment deformation
DEFF Research Database (Denmark)
Damsgaard, Anders; Egholm, David L.; Piotrowski, Jan A.
2013-01-01
The Discrete Element Method (DEM) is used in this study to explore the highly nonlinear dynamics of a granular bed when exposed to stress conditions comparable to those at the bed of warm-based glaciers. Complementary to analog experiments, the numerical approach allows a detailed analysis...
Discrete element modeling of subglacial sediment deformation
DEFF Research Database (Denmark)
Damsgaard, Anders; Egholm, David L.; Piotrowski, Jan A.
The Discrete Element Method (DEM) is used to explore the highly nonlinear dynamics of a granular bed when exposed to stress conditions comparable to those at the bed of warm-based glaciers. In the DEM, the material is simulated on a grain-by-grain basis, and defining the micromechanical properties...
Finite element modelling of solidification phenomena
Indian Academy of Sciences (India)
Unknown
Abstract. The process of solidification process is complex in nature and the simulation of such process is required in industry before it is actually undertaken. Finite element method is used to simulate the heat transfer process accompanying the solidification process. The metal and the mould along with the air gap formation ...
Thermal model of the whole element furnace
International Nuclear Information System (INIS)
Cramer, E.R.
1998-01-01
A detailed thermal analysis was performed to calculate temperatures in the whole element test furnace that is used to conduct drying studies of N-Reactor fuel. The purpose of this analysis was to establish the thermal characteristics of the test system and to provide a basis for post-test analysis
Performance Modelling of Timber Facade Elements
Surmeli-Anac, A.N.
2013-01-01
Windows and doors are essential elements of buildings. These seemingly simple components have become increasingly complex over the last decades. They have to fulfil an increased number of functions which ask for contradictory solutions and need to comply with more and more severe requirements.
Entropy in the classical and quantum polymer black hole models
International Nuclear Information System (INIS)
Livine, Etera R; Terno, Daniel R
2012-01-01
We investigate the entropy counting for black hole horizons in loop quantum gravity (LQG). We argue that the space of 3D closed polyhedra is the classical counterpart of the space of SU(2) intertwiners at the quantum level. Then computing the entropy for the boundary horizon amounts to calculating the density of polyhedra or the number of intertwiners at fixed total area. Following the previous work (Bianchi 2011 Class. Quantum Grav. 28 114006) we dub these the classical and quantum polymer models for isolated horizons in LQG. We provide exact micro-canonical calculations for both models and we show that the classical counting of polyhedra accounts for most of the features of the intertwiner counting (leading order entropy and log-correction), thus providing us with a simpler model to further investigate correlations and dynamics. To illustrate this, we also produce an exact formula for the dimension of the intertwiner space as a density of ‘almost-closed polyhedra’. (paper)
A model for ionic polymer metal composites as sensors
Bonomo, C.; Fortuna, L.; Giannone, P.; Graziani, S.; Strazzeri, S.
2006-06-01
This paper introduces a comprehensive model of sensors based on ionic polymer metal composites (IPMCs) working in air. Significant quantities ruling the sensing properties of IPMC-based sensors are taken into account and the dynamics of the sensors are modelled. A large amount of experimental evidence is given for the excellent agreement between estimations obtained using the proposed model and the observed signals. Furthermore, the effect of sensor scaling is investigated, giving interesting support to the activities involved in the design of sensing devices based on these novel materials. We observed that the need for a wet environment is not a key issue for IPMC-based sensors to work well. This fact allows us to put IPMC-based sensors in a totally different light to the corresponding actuators, showing that sensors do not suffer from the same drawbacks.
International Nuclear Information System (INIS)
Vigneau, Olivier
2002-01-01
Within the frame of the CEA's SPIN programme which aims at separate lanthanides (Ln) and actinides (An) in order to decrease the volume and activity of nuclear wastes to be stored, and after a presentation of lanthanides and actinides, of the main methods of inter-group and intra-group separation, this research thesis presents the principles and applications of the molecular print and ionic print which are then used to perform the Ln/Ln and Ln/an separation. The author discusses the choice and synthesis of selective complexing monomers which are used for the synthesis of imprinted polymers. The next chapter reports the synthesis of imprinted polymers, the assessment of their properties (selectivity and extraction power) in Ln/Ln competitive extraction in a batch reactor, and the optimization of synthesis conditions. Then, the author reports the assessment of properties of imprinted material in terms of ability to perform an inter-group Am 241 / Eu 152 separation in a batch reactor. The last part addresses Ln/Ln separation by High Performance Liquid Chromatography by using synthesised imprinted polymers as steady phase [fr
Potta, Thrimoorthy; Zhen, Zhuo; Grandhi, Taraka Sai Pavan; Christensen, Matthew D.; Ramos, James; Breneman, Curt M.; Rege, Kaushal
2014-01-01
We describe the combinatorial synthesis and cheminformatics modeling of aminoglycoside antibiotics-derived polymers for transgene delivery and expression. Fifty-six polymers were synthesized by polymerizing aminoglycosides with diglycidyl ether cross-linkers. Parallel screening resulted in identification of several lead polymers that resulted in high transgene expression levels in cells. The role of polymer physicochemical properties in determining efficacy of transgene expression was investigated using Quantitative Structure-Activity Relationship (QSAR) cheminformatics models based on Support Vector Regression (SVR) and ‘building block’ polymer structures. The QSAR model exhibited high predictive ability, and investigation of descriptors in the model, using molecular visualization and correlation plots, indicated that physicochemical attributes related to both, aminoglycosides and diglycidyl ethers facilitated transgene expression. This work synergistically combines combinatorial synthesis and parallel screening with cheminformatics-based QSAR models for discovery and physicochemical elucidation of effective antibiotics-derived polymers for transgene delivery in medicine and biotechnology. PMID:24331709
Directory of Open Access Journals (Sweden)
Roham Rafiee
2013-01-01
Full Text Available The interaction between the carbon nanotubes (CNT and the polymer is a key factor for determining the mechanical, thermal, and electrical properties of the CNT/polymer nanocomposite. However, it is difficult to measure experimentally the interfacial bonding properties between the CNT and the surrounding polymer. Therefore, computational modeling is used to predict the interaction properties. Different scale models, from atomistic to continuum, are critically reviewed addressing the advantages, the disadvantages, and the future challenges. Various methods of improvement for measuring the interaction properties are described. Finally, it is concluded that the semicontinuum modeling may be the best candidate for modeling the interaction between the CNT and the polymer.
Finite element modelling for mode-I fracture behaviour of CFRP
Chetan, H. C.; Kattimani, Subhaschandra; Murigendrappa, S. M.
2018-04-01
Debonding is a major failure mechanism in Carbon Fiber Reinforced Polymer (CFRP) due to presence of many adhesion joins, in between many layers. In the current study a finite element simulation is carried out using Virtual Crack Closure Technique (VCCT) and Cohesive Zone Modelling (CZM) using Abaqus as analysis tool. A comparative study is performed in to order analyze convergence of results from CZM and VCCT. It was noted that CZM results matched well with published literature. The results from VCCT were also in good comparison with experimental data of published literature, but were seen to be overestimated. Parametric study is performed to evaluate the variation of input parameters like initial stiffness, element size, peak stress and energy release rate `G'. From the numerical evaluation, it was noted that CZM simulation relies largely on element size and peak stress.
Finite element model for heat conduction in jointed rock masses
International Nuclear Information System (INIS)
Gartling, D.K.; Thomas, R.K.
1981-01-01
A computatonal procedure for simulating heat conduction in a fractured rock mass is proposed and illustrated in the present paper. The method makes use of a simple local model for conduction in the vicinity of a single open fracture. The distributions of fractures and fracture properties within the finite element model are based on a statistical representation of geologic field data. Fracture behavior is included in the finite element computation by locating local, discrete fractures at the element integration points
Azzawi, Wessam Al; Epaarachchi, J. A.; Islam, Mainul; Leng, Jinsong
2017-12-01
Shape memory polymers (SMPs) offer a unique ability to undergo a substantial shape deformation and subsequently recover the original shape when exposed to a particular external stimulus. Comparatively low mechanical properties being the major drawback for extended use of SMPs in engineering applications. However the inclusion of reinforcing fibres in to SMPs improves mechanical properties significantly while retaining intrinsic shape memory effects. The implementation of shape memory polymer composites (SMPCs) in any engineering application is a unique task which requires profound materials and design optimization. However currently available analytical tools have critical limitations to undertake accurate analysis/simulations of SMPC structures and slower derestrict transformation of breakthrough research outcomes to real-life applications. Many finite element (FE) models have been presented. But majority of them require a complicated user-subroutines to integrate with standard FE software packages. Furthermore, those subroutines are problem specific and difficult to use for a wider range of SMPC materials and related structures. This paper presents a FE simulation technique to model the thermomechanical behaviour of the SMPCs using commercial FE software ABAQUS. Proposed technique incorporates material time-dependent viscoelastic behaviour. The ability of the proposed technique to predict the shape fixity and shape recovery was evaluated by experimental data acquired by a bending of a SMPC cantilever beam. The excellent correlation between the experimental and FE simulation results has confirmed the robustness of the proposed technique.
CONTRIBUTIONS TO THE FINITE ELEMENT MODELING OF LINEAR ULTRASONIC MOTORS
Directory of Open Access Journals (Sweden)
Oana CHIVU
2013-05-01
Full Text Available The present paper is concerned with the main modeling elements as produced by means of thefinite element method of linear ultrasonic motors. Hence, first the model is designed and then a modaland harmonic analysis are carried out in view of outlining the main outcomes
Evaluation of two models for predicting elemental accumulation by arthropods
International Nuclear Information System (INIS)
Webster, J.R.; Crossley, D.A. Jr.
1978-01-01
Two different models have been proposed for predicting elemental accumulation by arthropods. Parameters of both models can be quantified from radioisotope elimination experiments. Our analysis of the 2 models shows that both predict identical elemental accumulation for a whole organism, though differing in the accumulation in body and gut. We quantified both models with experimental data from 134 Cs and 85 Sr elimination by crickets. Computer simulations of radioisotope accumulation were then compared with actual accumulation experiments. Neither model showed exact fit to the experimental data, though both showed the general pattern of elemental accumulation
Finite element model updating using bayesian framework and modal properties
CSIR Research Space (South Africa)
Marwala, T
2005-01-01
Full Text Available Finite element (FE) models are widely used to predict the dynamic characteristics of aerospace structures. These models often give results that differ from measured results and therefore need to be updated to match measured results. Some...
Modelling bucket excavation by finite element
Pecingina, O. M.
2015-11-01
Changes in geological components of the layers from lignite pits have an impact on the sustainability of the cup path elements and under the action of excavation force appear efforts leading to deformation of the entire assembly. Application of finite element method in the optimization of components leads to economic growth, to increase the reliability and durability of the studied machine parts thus the machine. It is obvious usefulness of knowledge the state of mechanical tensions that the designed piece or the assembly not to break under the action of tensions that must cope during operation. In the course of excavation work on all bucket cutting force components, the first coming into contact with the material being excavated cutting edge. Therefore in the study with finite element analysis is retained only cutting edge. To study the field of stress and strain on the cutting edge will be created geometric patterns for each type of cup this will be subject to static analysis. The geometric design retains the cutting edge shape and on this on the tooth cassette location will apply an areal force on the abutment tooth. The cutting edge real pattern is subjected to finite element study for the worst case of rock cutting by symmetrical and asymmetrical cups whose profile is different. The purpose of this paper is to determine the displacement and tensions field for both profiles considering the maximum force applied on the cutting edge and the depth of the cutting is equal with the width of the cutting edge of the tooth. It will consider the worst case when on the structure will act both the tangential force and radial force on the bucket profile. For determination of stress and strain field on the form design of cutting edge profile will apply maximum force assuming uniform distribution and on the edge surface force will apply a radial force. After geometric patterns discretization on the cutting knives and determining stress field, can be seen that at the
Mechanical response and buckling of a polymer simulation model of the cell nucleus
Banigan, Edward; Stephens, Andrew; Marko, John
The cell nucleus must robustly resist extra- and intracellular forces to maintain genome architecture. Micromanipulation experiments measuring nuclear mechanical response reveal that the nucleus has two force response regimes: a linear short-extension response due to the chromatin interior and a stiffer long-extension response from lamin A, comprising the intermediate filament protein shell. To explain these results, we developed a quantitative simulation model with realistic parameters for chromatin and the lamina. Our model predicts that crosslinking between chromatin and the lamina is essential for responding to small strains and that changes to the interior topological organization can alter the mechanical response of the whole nucleus. Thus, chromatin polymer elasticity, not osmotic pressure, is the dominant regulator of this force response. Our model reveals a novel buckling transition for polymer shells: as force increases, the shell buckles transverse to the applied force. This transition, which arises from topological constrains in the lamina, can be mitigated by tuning the properties of the chromatin interior. Thus, we find that the genome is a resistive mechanical element that can be tuned by its organization and connectivity to the lamina.
Implicit implementation and consistent tangent modulus of a viscoplastic model for polymers
ACHOUR-RENAULT, Nadia; CHATZIGEORGIOU, George; MERAGHNI, Fodil; CHEMISKY, Yves; FITOUSSI, Joseph
2015-01-01
In this work, the phenomenological viscoplastic DSGZ model[Duan, Y., Saigal, A., Greif, R., Zimmerman, M. A., 2001. A Uniform Phenomenological Constitutive Model for Glassy and Semicrystalline Polymers. Polymer Engineering and Science 41 (8), 1322-1328], developed for glassy or semi-crystalline polymers, is numerically implemented in a three dimensional framework, following an implicit formulation. The computational methodology is based on the radial return mapping algorithm. This implicit fo...
Modeling Human Elements of Decision-Making
2002-06-01
include factors such as personality, emotion , and level of expertise, which vary from individual to individual. The process of decision - making during... rational choice theories such as utility theory, to more descriptive psychological models that focus more on the process of decision - making ...descriptive nature, they provide a more realistic representation of human decision - making than the rationally based models. However these models do
A nonlinear model for ionic polymer metal composites as actuators
Bonomo, C.; Fortuna, L.; Giannone, P.; Graziani, S.; Strazzeri, S.
2007-02-01
This paper introduces a comprehensive nonlinear dynamic model of motion actuators based on ionic polymer metal composites (IPMCs) working in air. Significant quantities ruling the acting properties of IPMC-based actuators are taken into account. The model is organized as follows. As a first step, the dependence of the IPMC absorbed current on the voltage applied across its thickness is taken into account; a nonlinear circuit model is proposed to describe this relationship. In a second step the transduction of the absorbed current into the IPMC mechanical reaction is modelled. The model resulting from the cascade of both the electrical and the electromechanical stages represents a novel contribution in the field of IPMCs, capable of describing the electromechanical behaviour of these materials and predicting relevant quantities in a large range of applied signals. The effect of actuator scaling is also investigated, giving interesting support to the activities involved in the design of actuating devices based on these novel materials. Evidence of the excellent agreement between the estimations obtained by using the proposed model and experimental signals is given.
Element-by-element parallel spectral-element methods for 3-D teleseismic wave modeling
Liu, Shaolin; Yang, Dinghui; Dong, Xingpeng; Liu, Qiancheng; Zheng, Yongchang
2017-01-01
The development of an efficient algorithm for teleseismic wave field modeling is valuable for calculating the gradients of the misfit function (termed misfit gradients) or Fréchet derivatives when the teleseismic waveform is used for adjoint
Lambiase, F.; Genna, S.; Kant, R.
2018-01-01
The quality of the joints produced by means of Laser-Assisted Metal to Polymer direct joining (LAMP) is strongly influenced by the temperature field produced during the laser treatment. The main phenomena including the adhesion of the plastic to the metal sheet and the development of bubbles (on the plastic surface) depend on the temperature reached by the polymer at the interface. Such a temperature should be higher than the softening temperature, but lower than the degradation temperature of the polymer. However, the temperature distribution is difficult to be measured by experimental tests since the most polymers (which are transparent to the laser radiation) are often opaque to the infrared wavelength. Thus, infrared analysis involving pyrometers and infrared camera is not suitable for this purpose. On the other hand, thermocouples are difficult to be placed at the interface without influencing the temperature conditions. In this paper, an integrated approach involving both experimental measurements and a Finite Element (FE) model were used to perform such an analysis. LAMP of Polycarbonate and AISI304 stainless steel was performed by means of high power diode laser and the main process parameters i.e. laser power and scanning speed were varied. Comparing the experimental measurements and the FE model prediction of the thermal field, a good correspondence was achieved proving the suitability of the developed model and the proposed calibration procedure to be ready used for process design and optimization.
Multiscale Modeling of Thermal Conductivity of Polymer/Carbon Nanocomposites
Clancy, Thomas C.; Frankland, Sarah-Jane V.; Hinkley, Jeffrey A.; Gates, Thomas S.
2010-01-01
Molecular dynamics simulation was used to estimate the interfacial thermal (Kapitza) resistance between nanoparticles and amorphous and crystalline polymer matrices. Bulk thermal conductivities of the nanocomposites were then estimated using an established effective medium approach. To study functionalization, oligomeric ethylene-vinyl alcohol copolymers were chemically bonded to a single wall carbon nanotube. The results, in a poly(ethylene-vinyl acetate) matrix, are similar to those obtained previously for grafted linear hydrocarbon chains. To study the effect of noncovalent functionalization, two types of polyethylene matrices. -- aligned (extended-chain crystalline) vs. amorphous (random coils) were modeled. Both matrices produced the same interfacial thermal resistance values. Finally, functionalization of edges and faces of plate-like graphite nanoparticles was found to be only modestly effective in reducing the interfacial thermal resistance and improving the composite thermal conductivity
Electromechanical modelling of tapered ionic polymer metal composites transducers
Directory of Open Access Journals (Sweden)
Rakesha Chandra Dash
2016-09-01
Full Text Available Ionic polymer metal composites (IPMCs are relatively new smart materials that exhibit a bidirectional electromechanical coupling. IPMCs have large number of important engineering applications such as micro robotics, biomedical devices, biomimetic robotics etc. This paper presents a comparison between tapered and uniform cantilevered Nafion based IPMCs transducer. Electromechanical modelling is done for the tapered beam. Thickness can be varied according to the requirement of force and deflection. Numerical results pertaining to the force and deflection characteristics of both type IPMCs transducer are obtained. It is shown that the desired amount of force and deflections for tapered IPMCs can be achieved for a given voltage. Different fixed end (t0 and free end (t1 thickness values have been taken to justify the results using MATLAB.
Thermodynamic admissibility of the extended Pom-Pom model for branched polymers
Soulages, J.; Hütter, M.; Öttinger, H.C.
2006-01-01
The thermodynamic consistency of the eXtended Pom-Pom (XPP) model for branched polymers of Verbeeten et al. [W.M.H. Verbeeten, G.W.M. Peters, F.P.T. Baaijens, Differential constitutive equations for polymer melts: the extended pom-pom model, J. Rheol. 45 (4) (2001) 823–843; W.M.H. Verbeeten, G.W.M.
International Nuclear Information System (INIS)
Dolgoshej, V.B.; Korskanov, V.V.; Karpova, I.L.; Bardash, L.V.
2012-01-01
The dependences of electric conductivities of thermosetting polymer nanocomposites based on epoxy polymer and polycyanurate filled by carbon nanotubes were investigated. Low values of percolation threshold at volume fraction of carbon nanotubes from 0.001 to 0.002 were observed for all samples.Absolute values of the percolation threshold are in good agreement with the results of mathematical modeling. It is established that electrical properties of thermosetting polymer nanocomposites can be characterized in the frame of the same theoretical model despite difference in polymers properties
Towards improved modeling of steel-concrete composite wall elements
International Nuclear Information System (INIS)
Vecchio, Frank J.; McQuade, Ian
2011-01-01
Highlights: → Improved analysis of double skinned steel concrete composite containment walls. → Smeared rotating crack concept applied in formulation of new analytical model. → Model implemented into finite element program; numerically stable and robust. → Models behavior of shear-critical elements with greater ease and improved accuracy. → Accurate assessments of strength, deformation and failure mode of test specimens. - Abstract: The Disturbed Stress Field Model, a smeared rotating crack model for reinforced concrete based on the Modified Compression Field Theory, is adapted to the analysis of double-skin steel-concrete wall elements. The computational model is then incorporated into a two-dimensional nonlinear finite element analysis algorithm. Verification studies are undertaken by modeling various test specimens, including panel elements subject to uniaxial compression, panel elements subjected to in-plane shear, and wall specimens subjected to reversed cyclic lateral displacements. In all cases, the analysis model is found to provide accurate calculations of structural load capacities, pre- and post-peak displacement responses, post-peak ductility, chronology of damage, and ultimate failure mode. Minor deficiencies are found in regards to the accurate portrayal of faceplate buckling and the effects of interfacial slip between the faceplates and the concrete. Other aspects of the modeling procedure that are in need of further research and development are also identified and discussed.
Fibre Reinforced Polymer Composites as Internal and External Reinforcements for Building Elements
Directory of Open Access Journals (Sweden)
Cătălin Banu
2008-01-01
Full Text Available During the latest decades fibre reinforced polymer (FRP composite materials have proven valuable properties and suitable to be used in construction of new buildings and in upgrading the existing ones. These materials have covered the road from research laboratory and demonstration projects to implementation in actual structures. Nowadays the civil and structural engineering communities are about to commence the stage in which the use of FRP composites is becoming a routine similar to that of traditional material such as concrete, masonry and wood. Two main issues are presented in this paper, the use of FRP composite materials for new structural members (internal reinforcements and strengthening of existing members (externally bonded reinforcements. The advantages and disadvantages as well as the problems and constraints associated with both issues are discussed in detail mainly related to concrete members.
Magnetic materials and 3D finite element modeling
Bastos, Joao Pedro A
2014-01-01
Magnetic Materials and 3D Finite Element Modeling explores material characterization and finite element modeling (FEM) applications. This book relates to electromagnetic analysis based on Maxwell’s equations and application of the finite element (FE) method to low frequency devices. A great source for senior undergraduate and graduate students in electromagnetics, it also supports industry professionals working in magnetics, electromagnetics, ferromagnetic materials science and electrical engineering. The authors present current concepts on ferromagnetic material characterizations and losses. They provide introductory material; highlight basic electromagnetics, present experimental and numerical modeling related to losses and focus on FEM applied to 3D applications. They also explain various formulations, and discuss numerical codes.
Finite Element Modeling of Airflow During Phonation
Directory of Open Access Journals (Sweden)
Šidlof P.
2010-07-01
Full Text Available In the paper a mathematical model of airflow in human vocal folds is presented. The geometry of the glottal channel is based on measurements of excised human larynges. The airflow is modeled by nonstationary incompressible Navier-Stokes equations in a 2D computational domain, which is deformed in time due to vocal fold vibration. The paper presents numerical results and focuses on flow separation in glottis. Quantitative data from numerical simulations are compared to results of measurements by Particle Image Velocimetry (PIV, performed on a scaled self-oscillating physical model of vocal folds.
finite element model for predicting residual stresses in shielded
African Journals Online (AJOL)
eobe
This paper investigates the prediction of residual stresses developed ... steel plates through Finite Element Model simulation and experiments. ... The experimental values as measured by the X-Ray diffractometer were of ... Based on this, it can be concluded that Finite Element .... Comparison of Residual Stresses from X.
Parallel direct solver for finite element modeling of manufacturing processes
DEFF Research Database (Denmark)
Nielsen, Chris Valentin; Martins, P.A.F.
2017-01-01
The central processing unit (CPU) time is of paramount importance in finite element modeling of manufacturing processes. Because the most significant part of the CPU time is consumed in solving the main system of equations resulting from finite element assemblies, different approaches have been...
A Finite Element Model for convection-dominatel transport problems
International Nuclear Information System (INIS)
Carmo, E.G.D. do; Galeao, A.C.N.R.
1987-08-01
A new Protev-Galerkin Finite Element Model which automatically incorporates the search for the appropriate upwind direction is presented. It is also shown that modifying the Petrov-Galerkin weightin functions associated with elements adjascent to downwing boudaries effectively eliminates numerical oscillations normally obtained near boundary layers. (Author) [pt
Model Reduction in Dynamic Finite Element Analysis of Lightweight Structures
DEFF Research Database (Denmark)
Flodén, Ola; Persson, Kent; Sjöström, Anders
2012-01-01
models may be created by assembling models of floor and wall structures into large models of complete buildings. When assembling the floor and wall models, the number of degrees of freedom quickly increases to exceed the limits of computer capacity, at least in a reasonable amount of computational time...... Hz. Three different methods of model reduction were investigated; Guyan reduction, component mode synthesis and a third approach where a new finite element model was created with structural elements. Eigenvalue and steady-state analyses were performed in order to compare the errors...
Directory of Open Access Journals (Sweden)
Pan-Sang Kang
2016-06-01
Full Text Available Polymer flooding is now considered a technically- and commercially-proven method for enhanced oil recovery (EOR. The viscosity of the injected polymer solution is the key property for successful polymer flooding. Given that the viscosity of a polymer solution has a non-linear relationship with various influential parameters (molecular weight, degree of hydrolysis, polymer concentration, cation concentration of polymer solution, shear rate, temperature and that measurement of viscosity based on these parameters is a time-consuming process, the range of solution samples and the measurement conditions need to be limited and precise. Viscosity estimation of the polymer solution is effective for these purposes. An artificial neural network (ANN was applied to the viscosity estimation of FlopaamTM 3330S, FlopaamTM 3630S and AN-125 solutions, three commonly-used EOR polymers. The viscosities measured and estimated by ANN and the Carreau model using Lee’s correlation, the only method for estimating the viscosity of an EOR polymer solution in unmeasured conditions, were compared. Estimation accuracy was evaluated by the average absolute relative deviation, which has been widely used for accuracy evaluation of the results of ANN models. In all conditions, the accuracy of the ANN model is higher than that of the Carreau model using Lee’s correlation.
International Nuclear Information System (INIS)
Belijar, G; Valdez-Nava, Z; Diaham, S; Laudebat, L; Lebey, T; Jones, T B
2017-01-01
Polymer/ceramic composite materials are of great interest for their many potential applications because of their ability to combine at least two properties of the constitutive elements: particles and matrix. In most cases, such enhanced properties are required only in one direction. Orthotropic materials can be elaborated by applying an ac electric field to form particle chain structures in the direction of the electric field due to the dielectrophoretic interactions affecting the particles. However, there is still a lack in the understanding of the impact of the structures on the properties of the material. The aim of this study is to propose a predictive model for the evolution of the permittivity during the chain formation, by including micro- and macroscopic phenomena. The chaining model is based on dipole–dipole interactions and the dielectric permittivity is computed through a finite element method. In parallel, an experimental study is performed with online permittivity measurements of composites during chaining. The developed model is able to predict the experimental results from 1 vol% while taking into account parameters such as the resin viscosity and permittivity and the transient evolution of the applied electric field. The formation of particle chains inside a material has applications in many domains such as electrorheological fluids, anisotropic composites, self-recovery materials etc. Such a developed model is a valuable tool for the tailoring of materials. (paper)
Automatic terrain modeling using transfinite element analysis
Collier, Nathan; Calo, Victor M.
2010-01-01
An automatic procedure for modeling terrain is developed based on L2 projection-based interpolation of discrete terrain data onto transfinite function spaces. The function space is refined automatically by the use of image processing techniques
Probabilistic finite element modeling of waste rollover
International Nuclear Information System (INIS)
Khaleel, M.A.; Cofer, W.F.; Al-fouqaha, A.A.
1995-09-01
Stratification of the wastes in many Hanford storage tanks has resulted in sludge layers which are capable of retaining gases formed by chemical and/or radiolytic reactions. As the gas is produced, the mechanisms of gas storage evolve until the resulting buoyancy in the sludge leads to instability, at which point the sludge ''rolls over'' and a significant volume of gas is suddenly released. Because the releases may contain flammable gases, these episodes of release are potentially hazardous. Mitigation techniques are desirable for more controlled releases at more frequent intervals. To aid the mitigation efforts, a methodology for predicting of sludge rollover at specific times is desired. This methodology would then provide a rational basis for the development of a schedule for the mitigation procedures. In addition, a knowledge of the sensitivity of the sludge rollovers to various physical and chemical properties within the tanks would provide direction for efforts to reduce the frequency and severity of these events. In this report, the use of probabilistic finite element analyses for computing the probability of rollover and the sensitivity of rollover probability to various parameters is described
Discrete element weld model, phase 2
Prakash, C.; Samonds, M.; Singhal, A. K.
1987-01-01
A numerical method was developed for analyzing the tungsten inert gas (TIG) welding process. The phenomena being modeled include melting under the arc and the flow in the melt under the action of buoyancy, surface tension, and electromagnetic forces. The latter entails the calculation of the electric potential and the computation of electric current and magnetic field therefrom. Melting may occur at a single temperature or over a temperature range, and the electrical and thermal conductivities can be a function of temperature. Results of sample calculations are presented and discussed at length. A major research contribution has been the development of numerical methodology for the calculation of phase change problems in a fixed grid framework. The model has been implemented on CHAM's general purpose computer code PHOENICS. The inputs to the computer model include: geometric parameters, material properties, and weld process parameters.
Finite Element Modeling of Airflow During Phonation
Czech Academy of Sciences Publication Activity Database
Šidlof, P.; Lunéville, E.; Chambeyron, C.; Doaré, O.; Chaigne, A.; Horáček, Jaromír
2010-01-01
Roč. 4, č. 1 (2010), s. 121-132 ISSN 1802-680X R&D Projects: GA AV ČR KJB200760801 Institutional research plan: CEZ:AV0Z20760514 Keywords : vocal fold s * airflow * numerical modeling * ALE * flow separation Subject RIV: BI - Acoustics
Validation of High Displacement Piezoelectric Actuator Finite Element Models
Taleghani, B. K.
2000-01-01
The paper presents the results obtained by using NASTRAN(Registered Trademark) and ANSYS(Regitered Trademark) finite element codes to predict doming of the THUNDER piezoelectric actuators during the manufacturing process and subsequent straining due to an applied input voltage. To effectively use such devices in engineering applications, modeling and characterization are essential. Length, width, dome height, and thickness are important parameters for users of such devices. Therefore, finite element models were used to assess the effects of these parameters. NASTRAN(Registered Trademark) and ANSYS(Registered Trademark) used different methods for modeling piezoelectric effects. In NASTRAN(Registered Trademark), a thermal analogy was used to represent voltage at nodes as equivalent temperatures, while ANSYS(Registered Trademark) processed the voltage directly using piezoelectric finite elements. The results of finite element models were validated by using the experimental results.
Transferable coarse-grained model for perfluorosulfonic acid polymer membranes
Kuo, An-Tsung; Okazaki, Susumu; Shinoda, Wataru
2017-09-01
Perfluorosulfonic acid (PFSA) polymer membranes are widely used as proton exchange membranes. Because the structure of the aqueous domain within the PFSA membrane is expected to directly influence proton conductance, many coarse-grained (CG) simulation studies have been performed to investigate the membrane morphology; these studies mostly used phenomenological models, such as dissipative particle dynamics. However, a chemically accurate CG model is required to investigate the morphology in realistic membranes and to provide a concrete molecular design. Here, we attempt to construct a predictive CG model for the structure and morphology of PFSA membranes that is compatible with the Sinoda-DeVane-Klein (SDK) CG water model [Shinoda et al., Mol. Simul. 33, 27 (2007)]. First, we extended the parameter set for the SDK CG force field to examine a hydrated PFSA membrane based on thermodynamic and structural data from experiments and all-atom (AA) molecular dynamics (MD) simulations. However, a noticeable degradation of the morphology motivated us to improve the structural properties by using the iterative Boltzmann inversion (IBI) approach. Thus, we explored a possible combination of the SDK and IBI approaches to describe the nonbonded interaction. The hybrid SDK/IBI model improved the structural issues of SDK, showing a better agreement with AA-MD in the radial distribution functions. The hybrid SDK/IBI model was determined to reasonably reproduce both the thermodynamic and structural properties of the PFSA membrane for all examined water contents. In addition, the model demonstrated good transferability and has considerable potential for application to realistic long-chained PFSA membranes.
Elements of matrix modeling and computing with Matlab
White, Robert E
2006-01-01
As discrete models and computing have become more common, there is a need to study matrix computation and numerical linear algebra. Encompassing a diverse mathematical core, Elements of Matrix Modeling and Computing with MATLAB examines a variety of applications and their modeling processes, showing you how to develop matrix models and solve algebraic systems. Emphasizing practical skills, it creates a bridge from problems with two and three variables to more realistic problems that have additional variables. Elements of Matrix Modeling and Computing with MATLAB focuses on seven basic applicat
Modelling of the inhomogeneous interior of polymer gels
International Nuclear Information System (INIS)
Shew, C-Y; Iwaki, Takafumi
2006-01-01
A simple model has been investigated to elucidate the mean squared displacement (MSD) of probe molecules in cross-linked polymer gels. In the model, we assume that numerous cavities distribute in the inhomogeneous interior of a gel, and probe molecules are confined within these cavities. The individual probe molecules trapped in a gel are treated as Brownian particles confined to a spherical harmonic potential. The harmonic potential is chosen to model the effective potential experienced by the probe particle in the cavity of a gel. Each field strength is corresponding to the characteristic of one type of effective cavity. Since the statistical distribution of different effective cavity sizes is unknown, several distribution functions are examined. Meanwhile, the calculated averaged MSDs are compared to the experimental data by Nisato et al (2000 Phys. Rev. E 61 2879). We find that the theoretical results of the MSD are sensitive to the shape of the distribution function. For low cross-linked gels, the best fit is obtained when the interior cavities of a gel follow a bimodal distribution. Such a result may be attributed to the presence of at least two distinct classes of cavity in gels. For high cross-linked gels, the cavities in the gel can be depicted by a single-modal uniform distribution function, suggesting that the range of cavity sizes becomes smaller. These results manifest the voids inside a gel, and the shape of distribution functions may provide the insight into the inhomogeneous interior of a gel
Molecular modeling in confined polymer and biomembrane systems
Directory of Open Access Journals (Sweden)
Jayeeta Ghosh
2009-07-01
Full Text Available The computational study of soft materials under confinement for bio- and nanotechnology still poses significantchallenges but has come a long way in the last decade. It is possible to realistically model and understand the fundamentalmechanisms which are at play if soft materials are confined to nanometer dimensions. Here, we present several recentexamples of such studies. Thin polymer films are abundantly used as friction modifiers or steric stabilizers. We show howsystematic modeling can shed light on the interplay between entropic and energetic interactions. Thin glassy films arecritical for the success of nanolithography. For that we have to understand the effect of confinement on the glass transitionbehavior in order to guarantee the stability and integrity of the lithographic masks. Simulations aim to understand the fundamental differences in the densities of states of glass formers in bulk and under confinement. With the advent of bionanotechnology the structure and phase behavior of lipid membranes as models for cellular membranes at the nano scale length is of importance due to implications in understanding the role of the lipids in biochemical membrane processes.
Automatic terrain modeling using transfinite element analysis
Collier, Nathan
2010-05-31
An automatic procedure for modeling terrain is developed based on L2 projection-based interpolation of discrete terrain data onto transfinite function spaces. The function space is refined automatically by the use of image processing techniques to detect regions of high error and the flexibility of the transfinite interpolation to add degrees of freedom to these areas. Examples are shown of a section of the Palo Duro Canyon in northern Texas.
Bias-dependent model of the electrical impedance of ionic polymer-metal composites.
Cha, Youngsu; Porfiri, Maurizio
2013-02-01
In this paper, we analyze the charge dynamics of ionic polymer-metal composites (IPMCs) in response to voltage inputs composed of a large dc bias and a small superimposed time-varying voltage. The IPMC chemoelectrical behavior is described through the modified Poisson-Nernst-Planck framework, in which steric effects are taken into consideration. The physics of charge build-up and mass transfer in the proximity of the high surface electrodes is modeled by schematizing the IPMC as the stacked sequence of five layers, in which the ionomeric membrane is separated from the metal electrodes by two composite layers. The method of matched asymptotic expansions is used to derive a semianalytical solution for the concentration of mobile counterions and the electric potential in the IPMC, which is, in turn, used to establish an equivalent circuit model for the IPMC electrical response. The circuit model consists of the series connection of a resistor and two complex elements, each constituted by the parallel connection of a capacitor and a Warburg impedance. The resistor is associated with ion transport in the ionomeric membrane and is independent of the dc bias. The capacitors and the Warburg impedance idealize charge build-up and mass transfer in the vicinity of the electrodes and their value is controlled by the dc bias. The proposed approach is validated against experimental results on in-house fabricated IPMCs and the accuracy of the equivalent circuit is assessed through comparison with finite element results.
Modeling 3D PCMI using the Extended Finite Element Method with higher order elements
Energy Technology Data Exchange (ETDEWEB)
Jiang, W. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Spencer, Benjamin W. [Idaho National Lab. (INL), Idaho Falls, ID (United States)
2017-03-31
This report documents the recent development to enable XFEM to work with higher order elements. It also demonstrates the application of higher order (quadratic) elements to both 2D and 3D models of PCMI problems, where discrete fractures in the fuel are represented using XFEM. The modeling results demonstrate the ability of the higher order XFEM to accurately capture the effects of a crack on the response in the vicinity of the intersecting surfaces of cracked fuel and cladding, as well as represent smooth responses in the regions away from the crack.
Directory of Open Access Journals (Sweden)
GONCHARENKO D. F.
2017-01-01
Full Text Available Problem statement. Currently sanitary drainage systems of large cities in Ukraine are significantly worn down with prolonged use and due to inefficient solutions for protection of the structures from aggressive effects of the environment, poor quality of materials and construction and installation works during building. Restoration of performance characteristics, reliability and durability of sewer tunnels is the costly and technically complex task, which is urgently needed to be fulfilled to prevent accidents including those with serious environmental impact. Modern work technique and the materials used for restoration allow us to solve these problems with different levels of efficiency, while reducing the cost of restoration due to use of recycled polymeric raw material, as well as to improvement of technological solutions is a currently important direction of research. Purpose of the article. To develop solutions for restoring serviceability, reliability and durability of sewer tunnels taking into account the accumulated experience in renovation of water disposal networks. Conclusion. Use of components made of recycled polymer composite materials during restoring sewer tunnels has significant economic and environmental effects and allows to undertake repair work in hard-to-reach areas.
Resano, M.; García-Ruiz, E.; Vanhaecke, F.
2005-11-01
In this work, the potential of laser ablation-inductively coupled plasma-mass spectrometry for the fast analysis of polymers has been explored. Different real-life samples (polyethylene shopping bags, an acrylonitrile butadiene styrene material and various plastic bricks) as well as several reference materials (VDA 001 to 004, Cd in polyethylene) have been selected for the study. Two polyethylene reference materials (ERM-EC 680 and 681), for which a reference or indicative value for the most relevant metals is available, have proved their suitability as standards for calibration. Special attention has been paid to the difficulties expected for the determination of Cr at the μg g - 1 level in this kind of materials, due to the interference of ArC + ions on the most abundant isotopes of Cr. The use of ammonia as a reaction gas in a dynamic reaction cell is shown to alleviate this problem, resulting in a limit of detection of 0.15 μg g - 1 for this element, while limiting only modestly the possibilities of the technique for simultaneous multi-element analysis. In this regard, As is the analyte most seriously affected by the use of ammonia, and its determination has to be carried out in vented mode, at the expense of measuring time. In all cases studied, accurate results could be obtained for elements ranging in content from the sub-μg g - 1 level to tens of thousands of μg g - 1 . However, the use of an element of known concentration as internal standard may be needed for materials with a matrix significantly different from that of the standard (polyethylene in this work). Precision ranged between 5% and 10% RSD for elements found at the 10 μg g - 1 level or higher, while this value could deteriorate to 20% for analytes found at the sub-μg g - 1 level. Overall, the technique evaluated presents many advantages for the fast and accurate multi-element analysis of these materials, avoiding laborious digestion procedures and minimizing the risk of analyte losses due
Unstructured Spectral Element Model for Dispersive and Nonlinear Wave Propagation
DEFF Research Database (Denmark)
Engsig-Karup, Allan Peter; Eskilsson, Claes; Bigoni, Daniele
2016-01-01
We introduce a new stabilized high-order and unstructured numerical model for modeling fully nonlinear and dispersive water waves. The model is based on a nodal spectral element method of arbitrary order in space and a -transformed formulation due to Cai, Langtangen, Nielsen and Tveito (1998). In...
Energy Technology Data Exchange (ETDEWEB)
Villanueva, Joshua; Huang, Qian; Sirbuly, Donald J., E-mail: dsirbuly@ucsd.edu [Department of NanoEngineering, University of California San Diego, La Jolla, California 92093 (United States)
2014-09-14
Mechanical characterization is important for understanding small-scale systems and developing devices, particularly at the interface of biology, medicine, and nanotechnology. Yet, monitoring sub-surface forces is challenging with current technologies like atomic force microscopes (AFMs) or optical tweezers due to their probe sizes and sophisticated feedback mechanisms. An alternative transducer design relying on the indentation mechanics of a compressible thin polymer would be an ideal system for more compact and versatile probes, facilitating measurements in situ or in vivo. However, application-specific tuning of a polymer's mechanical properties can be burdensome via experimental optimization. Therefore, efficient transducer design requires a fundamental understanding of how synthetic parameters such as the molecular weight and grafting density influence the bulk material properties that determine the force response. In this work, we apply molecular-level polymer scaling laws to a first order elastic foundation model, relating the conformational state of individual polymer chains to the macroscopic compression of thin film systems. A parameter sweep analysis was conducted to observe predicted model trends under various system conditions and to understand how nano-structural elements influence the material stiffness. We validate the model by comparing predicted force profiles to experimental AFM curves for a real polymer system and show that it has reasonable predictive power for initial estimates of the force response, displaying excellent agreement with experimental force curves. We also present an analysis of the force sensitivity of an example transducer system to demonstrate identification of synthetic protocols based on desired mechanical properties. These results highlight the usefulness of this simple model as an aid for the design of a new class of compact and tunable nanomechanical force transducers.
International Nuclear Information System (INIS)
Villanueva, Joshua; Huang, Qian; Sirbuly, Donald J.
2014-01-01
Mechanical characterization is important for understanding small-scale systems and developing devices, particularly at the interface of biology, medicine, and nanotechnology. Yet, monitoring sub-surface forces is challenging with current technologies like atomic force microscopes (AFMs) or optical tweezers due to their probe sizes and sophisticated feedback mechanisms. An alternative transducer design relying on the indentation mechanics of a compressible thin polymer would be an ideal system for more compact and versatile probes, facilitating measurements in situ or in vivo. However, application-specific tuning of a polymer's mechanical properties can be burdensome via experimental optimization. Therefore, efficient transducer design requires a fundamental understanding of how synthetic parameters such as the molecular weight and grafting density influence the bulk material properties that determine the force response. In this work, we apply molecular-level polymer scaling laws to a first order elastic foundation model, relating the conformational state of individual polymer chains to the macroscopic compression of thin film systems. A parameter sweep analysis was conducted to observe predicted model trends under various system conditions and to understand how nano-structural elements influence the material stiffness. We validate the model by comparing predicted force profiles to experimental AFM curves for a real polymer system and show that it has reasonable predictive power for initial estimates of the force response, displaying excellent agreement with experimental force curves. We also present an analysis of the force sensitivity of an example transducer system to demonstrate identification of synthetic protocols based on desired mechanical properties. These results highlight the usefulness of this simple model as an aid for the design of a new class of compact and tunable nanomechanical force transducers.
Directory of Open Access Journals (Sweden)
Treutenaere S.
2015-01-01
Full Text Available The use of fabric reinforced polymers in the automotive industry is growing significantly. The high specific stiffness and strength, the ease of shaping as well as the great impact performance of these materials widely encourage their diffusion. The present model increases the predictability of explicit finite element analysis and push the boundaries of the ongoing phenomenological model. Carbon fibre composites made up various preforms were tested by applying different mechanical load up to dynamic loading. This experimental campaign highlighted the physical mechanisms affecting the initial mechanical properties, namely intra- and interlaminar matrix damage, viscoelasticty and fibre failure. The intralaminar behaviour model is based on the explicit formulation of the matrix damage model developed by the ONERA as the given damage formulation correlates with the experimental observation. Coupling with a Maxwell-Wiechert model, the viscoelasticity is included without losing the direct explicit formulation. Additionally, the model is formulated under a total Lagrangian scheme in order to maintain consistency for finite strain. Thus, the material frame-indifference as well as anisotropy are ensured. This allows reorientation of fibres to be taken into account particularly for in-plane shear loading. Moreover, fall within the framework of the total Lagrangian scheme greatly makes the parameter identification easier, as based on the initial configuration. This intralaminar model thus relies upon a physical description of the behaviour of fabric composites and the numerical simulations show a good correlation with the experimental results.
Finite element modeling and simulation with ANSYS workbench
Chen, Xiaolin
2014-01-01
IntroductionSome Basic ConceptsAn Example in FEA: Spring SystemOverview of ANSYS WorkbenchSummaryProblemsBars and TrussesIntroductionReview of the 1-D Elasticity TheoryModeling of TrussesFormulation of the Bar ElementExamples with Bar ElementsCase Study with ANSYS WorkbenchSummaryProblemsBeams and FramesIntroductionReview of the Beam TheoryModeling of Beams and FramesFormulation of the Beam ElementExamples with Beam ElementsCase Study with ANSYS WorkbenchSummaryProblemsTwo-Dimensional ElasticityIntroductionReview of 2-D Elasticity TheoryModeling of 2-D Elasticity ProblemsFormulation of the Pla
Modeling of porous concrete elements under load
Directory of Open Access Journals (Sweden)
Demchyna B.H.
2017-12-01
Full Text Available It is known that cell concretes are almost immediately destroyed under load, having reached certain critical stresses. Such kind of destruction is called a “catastrophic failure”. Process of crack formation is one of the main factors, influencing process of concrete destruction. Modern theory of crack formation is mainly based on the Griffith theory of destruction. However, the mentioned theory does not completely correspond to the structure of cell concrete with its cell structure, because the theory is intended for a solid body. The article presents one of the possible variants of modelling of the structure of cell concrete and gives some assumptions concerning the process of crack formation in such hollow, not solid environment.
Modeling of porous concrete elements under load
Demchyna, B. H.; Famuliak, Yu. Ye.; Demchyna, Kh. B.
2017-12-01
It is known that cell concretes are almost immediately destroyed under load, having reached certain critical stresses. Such kind of destruction is called a "catastrophic failure". Process of crack formation is one of the main factors, influencing process of concrete destruction. Modern theory of crack formation is mainly based on the Griffith theory of destruction. However, the mentioned theory does not completely correspond to the structure of cell concrete with its cell structure, because the theory is intended for a solid body. The article presents one of the possible variants of modelling of the structure of cell concrete and gives some assumptions concerning the process of crack formation in such hollow, not solid environment.
Modeling of nanosecond pulsed laser processing of polymers in air and water
DEFF Research Database (Denmark)
Marla, Deepak; Zhang, Yang; Hattel, Jesper H.
2018-01-01
radiation (λ = 1064 nm) of nanosecond pulse duration. The laser–polymer interaction at such wavelengths is purely photo-thermal in nature and the laser–plasma interaction is assumed to occur mainly by inverse-bremsstrahlung photon absorption. The computational model is based on the finite volume method......Laser ablation of polymers in water is known to generate distinct surface characteristics as compared to that in air. In order to understand the role of ambient media during laser ablation of polymers, this paper aims to develop a physics-based model of the process considering the effect of ambient...... media. Therefore, in the present work, models are developed for laser ablation of polymers in air and water considering all the relevant physical phenomena such as laser–polymer interaction, plasma generation, plasma expansion and plasma shielding. The current work focuses on near-infrared laser...
Modeling and Simulation for Fuel Cell Polymer Electrolyte Membrane
Directory of Open Access Journals (Sweden)
Takahiro Hayashi
2013-01-01
Full Text Available We have established methods to evaluate key properties that are needed to commercialize polyelectrolyte membranes for fuel cell electric vehicles such as water diffusion, gas permeability, and mechanical strength. These methods are based on coarse-graining models. For calculating water diffusion and gas permeability through the membranes, the dissipative particle dynamics–Monte Carlo approach was applied, while mechanical strength of the hydrated membrane was simulated by coarse-grained molecular dynamics. As a result of our systematic search and analysis, we can now grasp the direction necessary to improve water diffusion, gas permeability, and mechanical strength. For water diffusion, a map that reveals the relationship between many kinds of molecular structures and diffusion constants was obtained, in which the direction to enhance the diffusivity by improving membrane structure can be clearly seen. In order to achieve high mechanical strength, the molecular structure should be such that the hydrated membrane contains narrow water channels, but these might decrease the proton conductivity. Therefore, an optimal design of the polymer structure is needed, and the developed models reviewed here make it possible to optimize these molecular structures.
Nanoporous materials modified with biodegradable polymers as models for drug delivery applications
DEFF Research Database (Denmark)
Gruber, Mathias F; Schulte, Lars; Ndoni, Sokol
2013-01-01
of principle for a system combining these two encapsulation methods and consisting of a nanoporous polymer (NP) with the pores filled with a degradable polymer mixed with a drug model. Rhodamine 6G (R6G) mixed with Poly(l-Lactic Acid) (PLLA) were confined within the 14nm pores of a NP with gyroid morphology...
Grafted polymers with annealed excluded volume : a model for surfactant association in brushes
Currie, E.P.K.; Fleer, G.J.; Cohen Stuart, M.A.; Borisov, O.V.
2000-01-01
We present an analytical self-consistent-field (SCF) theory for a neutral polymer brush (a layer of long polymer chains end-grafted to a surface) with annealed excluded volume interactions between the monomer units. This model mimics the reversible adsorption of solute molecules or aggregates, such
International Nuclear Information System (INIS)
Hawileh, R.A.
2015-01-01
Highlights: • Modeling of concrete beams reinforced steel and FRP bars. • Developed finite element models achieved good results. • The models are validated via comparison with experimental results. • Parametric studies are performed. - Abstract: Corrosion of steel bars has an adverse effect on the life-span of reinforced concrete (RC) members and is usually associated with crack development in RC beams. Fiber reinforced polymer (FRP) bars have been recently used to reinforce concrete members in flexure due to their high tensile strength and superior corrosion resistance properties. However, FRP materials are brittle in nature, thus RC beams reinforced with such materials would exhibit a less ductile behavior when compared to similar members reinforced with conventional steel reinforcement. Recently, researchers investigated the performance of concrete beams reinforced with a hybrid combination of steel and Aramid Fiber Reinforced Polymer (AFRP) reinforcement to maintain a reasonable level of ductility in such members. The function of the AFRP bars is to increase the load-carrying capacity, while the function of the steel bars is to ensure ductility of the flexural member upon yielding in tension. This paper presents a three-dimensional (3D) finite element (FE) model that predicted the load versus mid-span deflection response of tested RC beams conducted by other researchers with a hybrid combination of steel and AFRP bars. The developed FE models account for the constituent material nonlinearities and bond–slip behavior between the reinforcing bars and adjacent concrete surfaces. It was concluded that the developed models can accurately capture the behavior and predicts the load-carrying capacity of such RC members. In addition, a parametric study is conducted using the validated models to investigate the effect of AFRP bar size, FRP material type, bond–slip action, and concrete compressive strength on the performance of concrete beams when reinforced
Three dimensional mathematical model of tooth for finite element analysis
Directory of Open Access Journals (Sweden)
Puškar Tatjana
2010-01-01
Full Text Available Introduction. The mathematical model of the abutment tooth is the starting point of the finite element analysis of stress and deformation of dental structures. The simplest and easiest way is to form a model according to the literature data of dimensions and morphological characteristics of teeth. Our method is based on forming 3D models using standard geometrical forms (objects in programmes for solid modeling. Objective. Forming the mathematical model of abutment of the second upper premolar for finite element analysis of stress and deformation of dental structures. Methods. The abutment tooth has a form of a complex geometric object. It is suitable for modeling in programs for solid modeling SolidWorks. After analyzing the literature data about the morphological characteristics of teeth, we started the modeling dividing the tooth (complex geometric body into simple geometric bodies (cylinder, cone, pyramid,.... Connecting simple geometric bodies together or substricting bodies from the basic body, we formed complex geometric body, tooth. The model is then transferred into Abaqus, a computational programme for finite element analysis. Transferring the data was done by standard file format for transferring 3D models ACIS SAT. Results. Using the programme for solid modeling SolidWorks, we developed three models of abutment of the second maxillary premolar: the model of the intact abutment, the model of the endodontically treated tooth with two remaining cavity walls and the model of the endodontically treated tooth with two remaining walls and inserted post. Conclusion Mathematical models of the abutment made according to the literature data are very similar with the real abutment and the simplifications are minimal. These models enable calculations of stress and deformation of the dental structures. The finite element analysis provides useful information in understanding biomechanical problems and gives guidance for clinical research.
Finite element model for nonlinear shells of revolution
International Nuclear Information System (INIS)
Cook, W.A.
1979-01-01
Nuclear material shipping containers have shells of revolution as basic structural components. Analytically modeling the response of these containers to severe accident impact conditions requires a nonlinear shell-of-revolution model that accounts for both geometric and material nonlinearities. Existing models are limited to large displacements, small rotations, and nonlinear materials. The paper presents a finite element model for a nonlinear shell of revolution that will account for large displacements, large strains, large rotations, and nonlinear materials
End to end distribution functions for a class of polymer models
International Nuclear Information System (INIS)
Khandekar, D.C.; Wiegel, F.W.
1988-01-01
The two point end-to-end distribution functions for a class of polymer models have been obtained within the first cumulant approximation. The trial distribution function this purpose is chosen to correspond to a general non-local quadratic functional. An Exact expression for the trial distribution function is obtained. It is pointed out that these trial distribution functions themselves can be used to study certain aspects of the configurational behaviours of polymers. These distribution functions are also used to obtain the averaged mean square size 2 > of a polymer characterized by the non-local quadratic potential energy functional. Finally, we derive an analytic expression for 2 > of a polyelectrolyte model and show that for a long polymer a weak electrostatic interaction does not change the behaviour of 2 > from that of a free polymer. (author). 16 refs
Hualien forced vibration calculation with a finite element model
International Nuclear Information System (INIS)
Wang, F.; Gantenbein, F.; Nedelec, M.; Duretz, Ch.
1995-01-01
The forced vibration tests of the Hualien mock-up were useful to validate finite element models developed for soil-structure interaction. In this paper the two sets of tests with and without backfill were analysed. the methods used are based on finite element modeling for the soil. Two approaches were considered: calculation of soil impedance followed by the calculation of the transfer functions with a model taking into account the superstructure and the impedance; direct calculation of the soil-structure transfer functions, with the soil and the structure being represented in the same model by finite elements. Blind predictions and post-test calculations are presented and compared with the test results. (author). 4 refs., 8 figs., 2 tabs
SPLAI: Computational Finite Element Model for Sensor Networks
Directory of Open Access Journals (Sweden)
Ruzana Ishak
2006-01-01
Full Text Available Wireless sensor network refers to a group of sensors, linked by a wireless medium to perform distributed sensing task. The primary interest is their capability in monitoring the physical environment through the deployment of numerous tiny, intelligent, wireless networked sensor nodes. Our interest consists of a sensor network, which includes a few specialized nodes called processing elements that can perform some limited computational capabilities. In this paper, we propose a model called SPLAI that allows the network to compute a finite element problem where the processing elements are modeled as the nodes in the linear triangular approximation problem. Our model also considers the case of some failures of the sensors. A simulation model to visualize this network has been developed using C++ on the Windows environment.
The Finite Element Numerical Modelling of 3D Magnetotelluric
Directory of Open Access Journals (Sweden)
Ligang Cao
2014-01-01
Full Text Available The ideal numerical simulation of 3D magnetotelluric was restricted by the methodology complexity and the time-consuming calculation. Boundary values, the variation of weighted residual equation, and the hexahedral mesh generation method of finite element are three major causes. A finite element method for 3D magnetotelluric numerical modeling is presented in this paper as a solution for the problem mentioned above. In this algorithm, a hexahedral element coefficient matrix for magnetoelluric finite method is developed, which solves large-scale equations using preconditioned conjugate gradient of the first-type boundary conditions. This algorithm is verified using the homogeneous model, and the positive landform model, as well as the low resistance anomaly model.
FINITE ELEMENT MODELING OF THIN CIRCULAR SANDWICH PLATES DEFLECTION
Directory of Open Access Journals (Sweden)
K. S. Kurachka
2014-01-01
Full Text Available A mathematical model of a thin circular sandwich plate being under the vertical load is proposed. The model employs the finite element method and takes advantage of an axisymmetric finite element that leads to the small dimension of the resulting stiffness matrix and sufficient accuracy for practical calculations. The analytical expressions for computing local stiffness matrices are found, which can significantly speed up the process of forming the global stiffness matrix and increase the accuracy of calculations. A software is under development and verification. The discrepancy between the results of the mathematical model and those of analytical formulas for homogeneous thin circularsandwich plates does not exceed 7%.
Elements for modeling and design of centrifugal compressor housings
International Nuclear Information System (INIS)
Magoia, J.E.; Calderon, T.
1990-01-01
Various aspects of the structural analysis of centrifugal compressor housings are studied. These are usually used in different kinds of nuclear sites. Multiple areas of the analysis are evaluated with elastic models based on finite elements: sensitivity to different variables, quality of models on facing theoretical solutions and performed measurements. The development of an excentric bar element improved for the rigidized plate model, is included. The definition of criteria for a more efficient structural analysis as well as recommendations for the design of centrifugal compressor housings concludes the work. (Author) [es
Finite element modeling of the filament winding process using ABAQUS
Miltenberger, Louis C.
1992-01-01
A comprehensive stress model of the filament winding fabrication process, previously implemented in the finite element program, WACSAFE, was implemented using the ABAQUS finite element software package. This new implementation, referred to as the ABWACSAFE procedure, consists of the ABAQUS software and a pre/postprocessing routine that was developed to prepare necessary ABAQUS input files and process ABAQUS displacement results for stress and strain computation. The ABWACSAF...
Energy Technology Data Exchange (ETDEWEB)
Eckl, R.
2007-05-15
Within the scope of this thesis, a new method for in situ current distribution measurement based on printed circuit board technology is developed and applied to polymer electrolyte fuel cells. Using the finite element method, the accuracy of this new approach is compared to conventional techniques and an estimate of the maximum uncertainty of measurement due to lateral currents is given. The effects of variable operating parameters on local electrochemical performance are studied by stationary and dynamic testing of laboratory cells with 100 cm{sup 2} active area. Based on experimental results, load conditions on the anode side are modelled and characteristic water management issues are analysed with the aid of computational fluid dynamics (CFD) simulations. (orig.)
Comment on 'Modelling of surface energies of elemental crystals'
International Nuclear Information System (INIS)
Li Jinping; Luo Xiaoguang; Hu Ping; Dong Shanliang
2009-01-01
Jiang et al (2004 J. Phys.: Condens. Matter 16 521) present a model based on the traditional broken-bond model for predicting surface energies of elemental crystals. It is found that bias errors can be produced in calculating the coordination numbers of surface atoms, especially in the prediction of high-Miller-index surface energies. (comment)
a finite element model for the analysis of bridge decks
African Journals Online (AJOL)
Dr Obe
A FINITE ELEMENT MODEL FOR THE ANALYSIS OF BRIDGE DECKS. NIGERIAN JOURNAL OF TECHNOLOGY, VOL. 27 NO.1, MARCH 2008. 59. (a) Beam-plate system. (b) T-beam structural model. Fig. 1 Beam-plate structure idealisations. The matrix displacement method of analysis is used. The continuum structure is.
Finite element modelling of fibre-reinforced brittle materials
Kullaa, J.
1997-01-01
The tensile constitutive behaviour of fibre-reinforced brittle materials can be extended to two or three dimensions by using the finite element method with crack models. The three approaches in this study include the smeared and discrete crack concepts and a multi-surface plasticity model. The
Treatment of polymer surfaces in plasma Part I. Kinetic model
International Nuclear Information System (INIS)
Tabaliov, N A; Svirachev, D M
2006-01-01
The surface tension of the polymer materials depends on functional groups over its surface. As a result from the plasma treatment the kind and concentration of the functional groups can be changed. In the present work, the possible kinetic reactions are defined. They describe the interaction between the plasma and the polymer surface of polyethylene terephthalate (PET). Basing on these reactions, the systems of differential kinetic equations are suggested. The solutions are obtained analytically for the system kinetic equations at defined circumstances
International Nuclear Information System (INIS)
Sumpter, B.G.; Noid, D.W.; Voth, G.A.; Wunderlich, B.
1990-01-01
Molecular dynamics-based computer simulations are presented for the interaction of one and two infrared (IR) laser beams with a model polymer surface. When a single laser beam system is studied over a wide range of intensities, only melting of the polymer, or melting followed by bond dissociation, is observed for up to 100 picoseconds. In contrast, the two-laser simulation results exhibit a marked difference in the energy absorption behavior of the irradiated polymer which, in turn, results in multiple bond dissociations. The results for the one- and two-laser cases studied can be divided into four different classes of physical behavior: (a) the polymer remains in the solid state; (b) the polymer crystal melts; (c) the polymer ablates, but with significant melting (charring); or (d) the polymer ablates with minimal melting. Damage to the model polymer crystal from absorption of energy from either one or two lasers occurs through a mechanism that involves the competition between the absorption of energy and internal energy redistribution. The rate of energy loss from the absorption site(s) relative to the rate of absorption of energy from the radiation field determines rather the polymer melts or ablates (low absorption rates lead to melting or no change and high rates lead to ablation). A sufficiently large rate of energy absorption is only obtainable through the use of two lasers. Two lasers also significantly decrease the total laser intensity required to cause polymer crystal melting. The differences between the one- and two-laser cases are studied by adapting novel signal/subspace techniques to analyze the dynamical changes in the mode spectrum of the polymer as it melts
Han, Fei; Azdoud, Yan; Lubineau, Gilles
2014-01-01
We present two modeling approaches for predicting the macroscopic elastic properties of carbon nanotubes/polymer composites with thick interphase regions at the nanotube/matrix frontier. The first model is based on local continuum mechanics
MODELS OF THE USE OF DISTANCE LEARNING ELEMENTS IN SCHOOL
Directory of Open Access Journals (Sweden)
Vasyl I. Kovalchuk
2017-09-01
Full Text Available The article presents three models of the use of elements of distance learning at school. All models partially or fully implement the training, interaction and collaboration of the participants in the educational process. The first model is determined by the use of open cloud services and Web 2.0 for the implementation of certain educational and managerial tasks of the school. The second model uses support for learning management and content creation. The introduction of the second model is possible with the development of the IT infrastructure of the school, the training of teachers for the use of distance learning technologies, the creation of electronic educational resources. The third model combines the use of Web 2.0 technologies and training and content management systems. Models of the use of elements of distance learning are presented of the results of regional research experimental work of schools.
Multiscale modelling of a composite electroactive polymer structure
Wang, P.; Lassen, B.; Jones, R. W.; Thomsen, B.
2010-12-01
Danfoss PolyPower has developed a tubular actuator comprising a dielectric elastomer sheet with specially shaped compliant electrodes rolled into a tube. This paper is concerned with the modelling of this kind of tubular actuator. This is a challenging task due to the system's multiscale nature which is caused by the orders of magnitude difference between the length and thickness of the sheets as well as the thickness of the electrodes and the elastomer in the sheets. A further complication is the presence of passive parts at both ends of the actuator, i.e. areas without electrodes which are needed in order to avoid short circuits between negative and positively charged electrodes on the two sides of the sheet. Due to the complexities in shape and size it is necessary to introduce some simplifying assumptions. This paper presents a set of models where the three-dimensional problem has been reduced to two-dimensional problems, ensuring that the resulting models can be handled numerically within the framework of the finite element method. These models have been derived by expressing Navier's equation in elliptical cylindrical coordinates in order to take full advantage of the special shape of these actuators. Emphasis is placed on studying the passive parts of the actuator, as these degrade the effectiveness of the actuator. Two approaches are used here to model the passive parts: a spring-stiffness analogy model and a longitudinal section model of the actuator. The models have been compared with experimental results for the force-elongation characteristics of the commercially available PolyPower 'InLastor push' actuator. The comparison shows good agreement between model and experiments for the case where the passive parts were taken into account. One of the models developed is subsequently used to study geometric effects—specifically the effect of changing the ellipticity of the tubular actuator on the actuator's performance is investigated.
Three-dimensional modeling with finite element codes
Energy Technology Data Exchange (ETDEWEB)
Druce, R.L.
1986-01-17
This paper describes work done to model magnetostatic field problems in three dimensions. Finite element codes, available at LLNL, and pre- and post-processors were used in the solution of the mathematical model, the output from which agreed well with the experimentally obtained data. The geometry used in this work was a cylinder with ports in the periphery and no current sources in the space modeled. 6 refs., 8 figs.
Modeling Polymers Containing Rod-Like Fillers: From Morphology to Mechanical Behavior
National Research Council Canada - National Science Library
Balazs, Anna
2004-01-01
... ̂ Predict the macroscopic properties of the reinforced polymers In order to carry out these studies, we employed hybrid models that we recently developed to investigate both the dynamic and equilibrium...
Coulomb matrix elements in multi-orbital Hubbard models.
Bünemann, Jörg; Gebhard, Florian
2017-04-26
Coulomb matrix elements are needed in all studies in solid-state theory that are based on Hubbard-type multi-orbital models. Due to symmetries, the matrix elements are not independent. We determine a set of independent Coulomb parameters for a d-shell and an f-shell and all point groups with up to 16 elements (O h , O, T d , T h , D 6h , and D 4h ). Furthermore, we express all other matrix elements as a function of the independent Coulomb parameters. Apart from the solution of the general point-group problem we investigate in detail the spherical approximation and first-order corrections to the spherical approximation.
Fuel element transfer cask modelling using MCNP technique
International Nuclear Information System (INIS)
Rosli Darmawan
2009-01-01
Full text: After operating for more than 25 years, some of the Reaktor TRIGA PUSPATI (RTP) fuel elements would have been depleted. A few addition and fuel reconfiguration exercises have to be conducted in order to maintain RTP capacity. Presently, RTP spent fuels are stored at the storage area inside RTP tank. The need to transfer the fuel element outside of RTP tank may be prevalence in the near future. The preparation shall be started from now. A fuel element transfer cask has been designed according to the recommendation by the fuel manufacturer and experience of other countries. A modelling using MCNP code has been conducted to analyse the design. The result shows that the design of transfer cask fuel element is safe for handling outside the RTP tank according to recent regulatory requirement. (author)
Fuel Element Transfer Cask Modelling Using MCNP Technique
International Nuclear Information System (INIS)
Darmawan, Rosli; Topah, Budiman Naim
2010-01-01
After operating for more than 25 years, some of the Reaktor TRIGA Puspati (RTP) fuel elements would have been depleted. A few addition and fuel reconfiguration exercises have to be conducted in order to maintain RTP capacity. Presently, RTP spent fuels are stored at the storage area inside RTP tank. The need to transfer the fuel element outside of RTP tank may be prevalence in the near future. The preparation shall be started from now. A fuel element transfer cask has been designed according to the recommendation by the fuel manufacturer and experience of other countries. A modelling using MCNP code has been conducted to analyse the design. The result shows that the design of transfer cask fuel element is safe for handling outside the RTP tank according to recent regulatory requirement.
The development of a curved beam element model applied to finite elements method
International Nuclear Information System (INIS)
Bento Filho, A.
1980-01-01
A procedure for the evaluation of the stiffness matrix for a thick curved beam element is developed, by means of the minimum potential energy principle, applied to finite elements. The displacement field is prescribed through polynomial expansions, and the interpolation model is determined by comparison of results obtained by the use of a sample of different expansions. As a limiting case of the curved beam, three cases of straight beams, with different dimensional ratios are analised, employing the approach proposed. Finally, an interpolation model is proposed and applied to a curved beam with great curvature. Desplacements and internal stresses are determined and the results are compared with those found in the literature. (Author) [pt
A holistic 3D finite element simulation model for thermoelectric power generator element
International Nuclear Information System (INIS)
Wu, Guangxi; Yu, Xiong
2014-01-01
Highlights: • Development of a holistic simulation model for the thermoelectric energy harvester. • Account for delta Seebeck coefficient and carrier charge densities variations. • Solution of thermo-electric coupling problem with finite element method. • Model capable of predicting phenomena not captured by traditional models. • A simulation tool for design of innovative TEM materials and structures. - Abstract: Harvesting the thermal energy stored in the ambient environment provides a potential sustainable energy source. Thermoelectric power generators have advantages of having no moving parts, being durable, and light-weighted. These unique features are advantageous for many applications (i.e., carry-on medical devices, embedded infrastructure sensors, aerospace, transportation, etc.). To ensure the efficient applications of thermoelectric energy harvesting system, the behaviors of such systems need to be fully understood. Finite element simulations provide important tools for such purpose. Although modeling the performance of thermoelectric modules has been conducted by many researchers, due to the complexity in solving the coupled problem, the influences of the effective Seebeck coefficient and carrier density variations on the performance of thermoelectric system are generally neglected. This results in an overestimation of the power generator performance under strong-ionization temperature region. This paper presents an advanced simulation model for thermoelectric elements that considers the effects of both factors. The mathematical basis of this model is firstly presented. Finite element simulations are then implemented on a thermoelectric power generator unit. The characteristics of the thermoelectric power generator and their relationship to its performance are discussed under different working temperature regions. The internal physics processes of the TEM harvester are analyzed from the results of computational simulations. The new model
Antifouling Activity of Synthetic Alkylpyridinium Polymers Using the Barnacle Model
Piazza, Veronica; Dragić, Ivanka; Sepčić, Kristina; Faimali, Marco; Garaventa, Francesca; Turk, Tom; Berne, Sabina
2014-01-01
Polymeric alkylpyridinium salts (poly-APS) isolated from the Mediterranean marine sponge, Haliclona (Rhizoniera) sarai, effectively inhibit barnacle larva settlement and natural marine biofilm formation through a non-toxic and reversible mechanism. Potential use of poly-APS-like compounds as antifouling agents led to the chemical synthesis of monomeric and oligomeric 3-alkylpyridinium analogues. However, these are less efficient in settlement assays and have greater toxicity than the natural polymers. Recently, a new chemical synthesis method enabled the production of poly-APS analogues with antibacterial, antifungal and anti-acetylcholinesterase activities. The present study examines the antifouling properties and toxicity of six of these synthetic poly-APS using the barnacle (Amphibalanus amphitrite) as a model (cyprids and II stage nauplii larvae) in settlement, acute and sub-acute toxicity assays. Two compounds, APS8 and APS12-3, show antifouling effects very similar to natural poly-APS, with an anti-settlement effective concentration that inhibits 50% of the cyprid population settlement (EC50) after 24 h of 0.32 mg/L and 0.89 mg/L, respectively. The toxicity of APS8 is negligible, while APS12-3 is three-fold more toxic (24-h LC50: nauplii, 11.60 mg/L; cyprids, 61.13 mg/L) than natural poly-APS. This toxicity of APS12-3 towards nauplii is, however, 60-fold and 1200-fold lower than that of the common co-biocides, Zn- and Cu-pyrithione, respectively. Additionally, exposure to APS12-3 for 24 and 48 h inhibits the naupliar swimming ability with respective IC50 of 4.83 and 1.86 mg/L. PMID:24699112
Antifouling Activity of Synthetic Alkylpyridinium Polymers Using the Barnacle Model
Directory of Open Access Journals (Sweden)
Veronica Piazza
2014-04-01
Full Text Available Polymeric alkylpyridinium salts (poly-APS isolated from the Mediterranean marine sponge, Haliclona (Rhizoniera sarai, effectively inhibit barnacle larva settlement and natural marine biofilm formation through a non-toxic and reversible mechanism. Potential use of poly-APS-like compounds as antifouling agents led to the chemical synthesis of monomeric and oligomeric 3-alkylpyridinium analogues. However, these are less efficient in settlement assays and have greater toxicity than the natural polymers. Recently, a new chemical synthesis method enabled the production of poly-APS analogues with antibacterial, antifungal and anti-acetylcholinesterase activities. The present study examines the antifouling properties and toxicity of six of these synthetic poly-APS using the barnacle (Amphibalanus amphitrite as a model (cyprids and II stage nauplii larvae in settlement, acute and sub-acute toxicity assays. Two compounds, APS8 and APS12-3, show antifouling effects very similar to natural poly-APS, with an anti-settlement effective concentration that inhibits 50% of the cyprid population settlement (EC50 after 24 h of 0.32 mg/L and 0.89 mg/L, respectively. The toxicity of APS8 is negligible, while APS12-3 is three-fold more toxic (24-h LC50: nauplii, 11.60 mg/L; cyprids, 61.13 mg/L than natural poly-APS. This toxicity of APS12-3 towards nauplii is, however, 60-fold and 1200-fold lower than that of the common co-biocides, Zn- and Cu-pyrithione, respectively. Additionally, exposure to APS12-3 for 24 and 48 h inhibits the naupliar swimming ability with respective IC50 of 4.83 and 1.86 mg/L.
Analytical and finite element modeling of grounding systems
Energy Technology Data Exchange (ETDEWEB)
Luz, Mauricio Valencia Ferreira da [University of Santa Catarina (UFSC), Florianopolis, SC (Brazil)], E-mail: mauricio@grucad.ufsc.br; Dular, Patrick [University of Liege (Belgium). Institut Montefiore], E-mail: Patrick.Dular@ulg.ac.be
2007-07-01
Grounding is the art of making an electrical connection to the earth. This paper deals with the analytical and finite element modeling of grounding systems. An electrokinetic formulation using a scalar potential can benefit from floating potentials to define global quantities such as electric voltages and currents. The application concerns a single vertical grounding with one, two and three-layer soil, where the superior extremity stays in the surface of the soil. This problem has been modeled using a 2D axi-symmetric electrokinetic formulation. The grounding resistance obtained by finite element method is compared with the analytical one for one-layer soil. With the results of this paper it is possible to show that finite element method is a powerful tool in the analysis of the grounding systems in low frequencies. (author)
DEFF Research Database (Denmark)
Carstensen, Josephine Voigt; Jomaas, Grunde; Pankaj, Pankaj
2013-01-01
to extend this approach for RC at elevated temperatures. Prior to the extension, the approach is investigated for associated modeling issues and a set of limits of application are formulated. The available models of the behavior of plain concrete at elevated temperatures were used to derive inherent......One of the accepted approaches for postpeak finite-element modeling of RC comprises combining plain concrete, reinforcement, and interaction behaviors. In these, the postpeak strain-softening behavior of plain concrete is incorporated by the use of fracture energy concepts. This study attempts...... fracture energy variation with temperature. It is found that the currently used tensile elevated temperature model assumes that the fracture energy decays with temperature. The existing models in compression also show significant decay of fracture energy at higher temperatures (>400°) and a considerable...
Moreno Chaparro, Nicolas
2015-06-30
We introduce a framework for model reduction of polymer chain models for dissipative particle dynamics (DPD) simulations, where the properties governing the phase equilibria such as the characteristic size of the chain, compressibility, density, and temperature are preserved. The proposed methodology reduces the number of degrees of freedom required in traditional DPD representations to model equilibrium properties of systems with complex molecules (e.g., linear polymers). Based on geometrical considerations we explicitly account for the correlation between beads in fine-grained DPD models and consistently represent the effect of these correlations in a reduced model, in a practical and simple fashion via power laws and the consistent scaling of the simulation parameters. In order to satisfy the geometrical constraints in the reduced model we introduce bond-angle potentials that account for the changes in the chain free energy after the model reduction. Following this coarse-graining process we represent high molecular weight DPD chains (i.e., ≥200≥200 beads per chain) with a significant reduction in the number of particles required (i.e., ≥20≥20 times the original system). We show that our methodology has potential applications modeling systems of high molecular weight molecules at large scales, such as diblock copolymer and DNA.
A finite element modeling of a multifunctional hybrid composite beam with viscoelastic materials
Wang, Ya; Inman, Daniel J.
2013-04-01
The multifunctional hybrid composite structure studied here consists of a ceramic outer layer capable of withstanding high temperatures, a functionally graded ceramic layer combining shape memory alloy (SMA) properties of NiTi together with Ti2AlC (called Graded Ceramic/Metal Composite, or GCMeC), and a high temperature sensor patch, followed by a polymer matrix composite laced with vascular cooling channels all held together with various epoxies. Due to the recoverable nature of SMA and adhesive properties of Ti2AlC, the damping behavior of the GCMeC is largely viscoelastic. This paper presents a finite element formulation for this multifunctional hybrid structure with embedded viscoelastic material. In order to implement the viscoelastic model into the finite element formulation, a second order three parameter Golla-Hughes-McTavish (GHM) method is used to describe the viscoelastic behavior. Considering the parameter identification, a strategy to estimate the fractional order of the time derivative and the relaxation time is outlined. The curve-fitting aspects of both GHM and ADF show good agreement with experimental data obtained from dynamic mechanics analysis. The performance of the finite element of the layered multifunctional beam is verified through experimental model analysis.
Jylhä, Liisi; Honkamo, Johanna; Jantunen, Heli; Sihvola, Ari
2005-05-01
Effective permittivity was modeled and measured for composites that consist of up to 35vol% of titanium dioxide powder dispersed in a continuous epoxy matrix. The study demonstrates a method that enables fast and accurate numerical modeling of the effective permittivity values of ceramic/polymer composites. The model requires electrostatic Monte Carlo simulations, where randomly oriented homogeneous prism-shaped inclusions occupy random positions in the background phase. The computation cost of solving the electrostatic problem by a finite-element code is decreased by the use of an averaging method where the same simulated sample is solved three times with orthogonal field directions. This helps to minimize the artificial anisotropy that results from the pseudorandomness inherent in the limited computational domains. All the required parameters for numerical simulations are calculated from the lattice structure of titanium dioxide. The results show a very good agreement between the measured and numerically calculated effective permittivities. When the prisms are approximated by oblate spheroids with the corresponding axial ratio, a fairly good prediction for the effective permittivity of the mixture can be achieved with the use of an advanced analytical mixing formula.
Hu, G. F.; Damanpack, A. R.; Bodaghi, M.; Liao, W. H.
2017-12-01
The main objective of this paper is to introduce a 4D printing method to program shape memory polymers (SMPs) during fabrication process. Fused deposition modeling (FDM) as a filament-based printing method is employed to program SMPs during depositing the material. This method is implemented to fabricate complicated polymeric structures by self-bending features without need of any post-programming. Experiments are conducted to demonstrate feasibility of one-dimensional (1D)-to 2D and 2D-to-3D self-bending. It is shown that 3D printed plate structures can transform into masonry-inspired 3D curved shell structures by simply heating. Good reliability of SMP programming during printing process is also demonstrated. A 3D macroscopic constitutive model is established to simulate thermo-mechanical features of the printed SMPs. Governing equations are also derived to simulate programming mechanism during printing process and shape change of self-bending structures. In this respect, a finite element formulation is developed considering von-Kármán geometric nonlinearity and solved by implementing iterative Newton-Raphson scheme. The accuracy of the computational approach is checked with experimental results. It is demonstrated that the theoretical model is able to replicate the main characteristics observed in the experiments. This research is likely to advance the state of the art FDM 4D printing, and provide pertinent results and computational tool that are instrumental in design of smart materials and structures with self-bending features.
Modelling of Granular Materials Using the Discrete Element Method
DEFF Research Database (Denmark)
Ullidtz, Per
1997-01-01
With the Discrete Element Method it is possible to model materials that consists of individual particles where a particle may role or slide on other particles. This is interesting because most of the deformation in granular materials is due to rolling or sliding rather that compression of the gra...
Vibrations of turbine blades bundles model with rubber damping elements
Czech Academy of Sciences Publication Activity Database
Půst, Ladislav; Pešek, Luděk
2014-01-01
Roč. 21, č. 1 (2014), s. 45-52 ISSN 1802-1484 R&D Projects: GA ČR GA101/09/1166 Institutional support: RVO:61388998 Keywords : mathematical model * bundle of five blades * rubber damping elements * eigenmodes Subject RIV: BI - Acoustics http://www.engineeringmechanics.cz/obsahy.html?R=21&C=1
Modeling of PHWR fuel elements using FUDA code
International Nuclear Information System (INIS)
Tripathi, Rahul Mani; Soni, Rakesh; Prasad, P.N.; Pandarinathan, P.R.
2008-01-01
The computer code FUDA (Fuel Design Analysis) is used for modeling PHWR fuel bundle operation history and carry out fuel element thermo-mechanical analysis. The radial temperature profile across fuel and sheath, fission gas release, internal gas pressure, sheath stress and strains during the life of fuel bundle are estimated
Model calculations of nuclear data for biologically-important elements
International Nuclear Information System (INIS)
Chadwick, M.B.; Blann, M.; Reffo, G.; Young, P.G.
1994-05-01
We describe calculations of neutron-induced reactions on carbon and oxygen for incident energies up to 70 MeV, the relevant clinical energy in radiation neutron therapy. Our calculations using the FKK-GNASH, GNASH, and ALICE codes are compared with experimental measurements, and their usefulness for modeling reactions on biologically-important elements is assessed
Lower bound plane stress element for modelling 3D structures
DEFF Research Database (Denmark)
Herfelt, Morten Andersen; Poulsen, Peter Noe; Hoang, Linh Cao
2017-01-01
In-plane action is often the primary load-carrying mechanism of reinforced concrete structures. The plate bending action will be secondary, and the behaviour of the structure can be modelled with a reasonable accuracy using a generalised three-dimensional plane stress element. In this paper...
Elasto-viscoplastic finite element model for prestressed concrete structures
International Nuclear Information System (INIS)
Prates Junior, N.P.; Silva, C.S.B.; Campos Filho, A.; Gastal, F.P.S.L.
1995-01-01
This paper presents a computational model, based on the finite element method, for the study of reinforced and prestressed concrete structures under plane stress states. It comprehends short and long-term loading situations, where creep and shrinkage in concrete and steel relaxation are considered. Elasto-viscoplastic constitutive models are used to describe the behavior of the materials. The model includes prestressing and no prestressing reinforcement, on situation with pre- and post-tension with and without bond. A set of prestressed concrete slab elements were tested under instantaneous and long-term loading. The experimental data for deflections, deformations and ultimate strength are used to compare and validate the results obtained through the proposed model. (author). 11 refs., 5 figs
Solanki, Nayan G; Tahsin, Md; Shah, Ankita V; Serajuddin, Abu T M
2018-01-01
The primary aim of this study was to identify pharmaceutically acceptable amorphous polymers for producing 3D printed tablets of a model drug, haloperidol, for rapid release by fused deposition modeling. Filaments for 3D printing were prepared by hot melt extrusion at 150°C with 10% and 20% w/w of haloperidol using Kollidon ® VA64, Kollicoat ® IR, Affinsiol ™ 15 cP, and HPMCAS either individually or as binary blends (Kollidon ® VA64 + Affinisol ™ 15 cP, 1:1; Kollidon ® VA64 + HPMCAS, 1:1). Dissolution of crushed extrudates was studied at pH 2 and 6.8, and formulations demonstrating rapid dissolution rates were then analyzed for drug-polymer, polymer-polymer and drug-polymer-polymer miscibility by film casting. Polymer-polymer (1:1) and drug-polymer-polymer (1:5:5 and 2:5:5) mixtures were found to be miscible. Tablets with 100% and 60% infill were printed using MakerBot printer at 210°C, and dissolution tests of tablets were conducted at pH 2 and 6.8. Extruded filaments of Kollidon ® VA64-Affinisol ™ 15 cP mixtures were flexible and had optimum mechanical strength for 3D printing. Tablets containing 10% drug with 60% and 100% infill showed complete drug release at pH 2 in 45 and 120 min, respectively. Relatively high dissolution rates were also observed at pH 6.8. The 1:1-mixture of Kollidon ® VA64 and Affinisol ™ 15 cP was thus identified as a suitable polymer system for 3D printing and rapid drug release. Copyright © 2018 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.
Polymer mixtures in confined geometries: Model systems to explore ...
Indian Academy of Sciences (India)
to mean field behavior for very long chains, the critical behavior of mixtures confined into thin film geometry falls in the 2d Ising class irrespective of chain length. ..... AB interface does not approach the wall; (b) corresponds to a temperature .... Very recently, these theoretical studies have been extended to polymer mixtures.
Czech Academy of Sciences Publication Activity Database
Kučera, Jan; Kubešová, Marie; Bartoníček, B.
2014-01-01
Roč. 300, č. 2 (2014), s. 685-691 ISSN 0236-5731. [6th International Ko Users Workshop. Budapest, 22.09.2013-27.09.2013] R&D Projects: GA TA ČR TA02010218; GA MŠk(XE) LM2011019 Institutional support: RVO:61389005 Keywords : neutron activation analysis * k(0) standardization * polymer materials * element additives * cables of safety systems * nuclear power plant Subject RIV: JF - Nuclear Energetics Impact factor: 1.034, year: 2014
(Environmental and geophysical modeling, fracture mechanics, and boundary element methods)
Energy Technology Data Exchange (ETDEWEB)
Gray, L.J.
1990-11-09
Technical discussions at the various sites visited centered on application of boundary integral methods for environmental modeling, seismic analysis, and computational fracture mechanics in composite and smart'' materials. The traveler also attended the International Association for Boundary Element Methods Conference at Rome, Italy. While many aspects of boundary element theory and applications were discussed in the papers, the dominant topic was the analysis and application of hypersingular equations. This has been the focus of recent work by the author, and thus the conference was highly relevant to research at ORNL.
Vibration tests on some models of PEC reactor core elements
International Nuclear Information System (INIS)
Bonacina, G.; Castoldi, A.; Zola, M.; Cecchini, F.; Martelli, A.; Vincenzi, D.
1982-01-01
This paper describes the aims of the experimental tests carried out at ISMES, within an agreement with the Department of Fast Reactors of ENEA, on some models of the elements of PEC Fast Nuclear Reactor Core in the frame of the activities for the seismic verification of the PEC core. The seismic verification is briefly described with particular attention to the problems arising from the shocks among the various elements during an earthquake, as well as the computer code used, the purpose and the techniques used to perform tests, some results and the first comparison between the theory and the experimental data
Calibration of a finite element composite delamination model by experiments
DEFF Research Database (Denmark)
Gaiotti, M.; Rizzo, C.M.; Branner, Kim
2013-01-01
This paper deals with the mechanical behavior under in plane compressive loading of thick and mostly unidirectional glass fiber composite plates made with an initial embedded delamination. The delamination is rectangular in shape, causing the separation of the central part of the plate into two...... distinct sub-laminates. The work focuses on experimental validation of a finite element model built using the 9-noded MITC9 shell elements, which prevent locking effects and aiming to capture the highly non linear buckling features involved in the problem. The geometry has been numerically defined...
Model order reduction techniques with applications in finite element analysis
Qu, Zu-Qing
2004-01-01
Despite the continued rapid advance in computing speed and memory the increase in the complexity of models used by engineers persists in outpacing them. Even where there is access to the latest hardware, simulations are often extremely computationally intensive and time-consuming when full-blown models are under consideration. The need to reduce the computational cost involved when dealing with high-order/many-degree-of-freedom models can be offset by adroit computation. In this light, model-reduction methods have become a major goal of simulation and modeling research. Model reduction can also ameliorate problems in the correlation of widely used finite-element analyses and test analysis models produced by excessive system complexity. Model Order Reduction Techniques explains and compares such methods focusing mainly on recent work in dynamic condensation techniques: - Compares the effectiveness of static, exact, dynamic, SEREP and iterative-dynamic condensation techniques in producing valid reduced-order mo...
Ren, Zhi
Transducer technologies that convert energy from one form to another (e.g. electrical energy to mechanical energy or thermal energy and vise versa) are considered as the basic building blocks of robots and wearable electronics, two of the rapidly emerging technologies that impact our daily life. With an emphasis on developing the essential smart materials, this dissertation focuses on two specific transducer technologies, bistable large-strain electro-mechanical actuation and resistive Joule heating, in pursuit of refreshable Braille electronic displays and wearable thermal management element, respectively. Dielectric elastomers (DEs) have been intensively studied for their promising ability to mimic human muscles in providing efficient electro-mechanical actuation. They exhibit a unique combination of properties, including large strain, fast response, high energy density, mechanical compliancy, lightweight, and low cost. However, the softness of the DE materials, which is a prerequisite for electrically induced large actuation strain, has been hindering their application in adaptive structures. In these applications such as braille displays, a certain amount of mechanical support is necessary in addition to large strains for the device or system to function. Bistable electroactive polymers (BSEP) that leverage the electrically induced large-strain actuation of DE actuators and the bi-stable rigid-to-rigid deformation of shape memory polymers are innovated to provide large electrical actuation strain in their rubbery state and fix the deformation by cooling down to room temperature to incorporate mechanical rigidity. BSEP materials that can suppress electromechanical instability and exhibit stable mechanical properties in the rubbery state are desired. A bimodal BSEP material with a glass transition temperature right above room temperature has been synthesized employing simple UV curing process. The BSEP has a large storage modulus over 1GPa at room temperature
Directory of Open Access Journals (Sweden)
Haiyang Yu
2014-01-01
Full Text Available This work presents numerical well testing interpretation model and analysis techniques to evaluate formation by using pressure transient data acquired with logging tools in crossflow double-layer reservoirs by polymer flooding. A well testing model is established based on rheology experiments and by considering shear, diffusion, convection, inaccessible pore volume (IPV, permeability reduction, wellbore storage effect, and skin factors. The type curves were then developed based on this model, and parameter sensitivity is analyzed. Our research shows that the type curves have five segments with different flow status: (I wellbore storage section, (II intermediate flow section (transient section, (III mid-radial flow section, (IV crossflow section (from low permeability layer to high permeability layer, and (V systematic radial flow section. The polymer flooding field tests prove that our model can accurately determine formation parameters in crossflow double-layer reservoirs by polymer flooding. Moreover, formation damage caused by polymer flooding can also be evaluated by comparison of the interpreted permeability with initial layered permeability before polymer flooding. Comparison of the analysis of numerical solution based on flow mechanism with observed polymer flooding field test data highlights the potential for the application of this interpretation method in formation evaluation and enhanced oil recovery (EOR.
Savelyev, Yu.; Rudenko, A.; Robota, L.; Koval, E.; Savelyeva, O.; Markovskaya, L.; Veselov, V.
2009-01-01
Novel polyurethanes, polyamidourethanes and polyurethane foams of stable to biocorrosion were synthesized. The polymers possess fungicidal/fungistatic and bactericidal/bacteriostatic activity. After the biological tests with using of mold fungi and yeasts, polymers totally keep their main exploitation characteristics: for most of polymers coefficients of strength and elasticity keeping are equal of 100%. Most of them possess the fungicidal properties of zero balls, according to the State Standard. Life-firmness investigation of the most aggressive extremophiles: mold fungi Penicillium and Aspergillus on the polymer surfaces showed that for some samples it made up from 3 to 10 days. Some polymers possess both anti-micotic and anti-bacterial action. Based on investigation results a special technological scheme of assured human protection against microorganisms attack in specific condition of his existence are to be elaborated.
Directory of Open Access Journals (Sweden)
M. Mensik
2017-03-01
Full Text Available A quantum model solving the charge carrier mobility between polyacetylene-like polymer nanorods is presented. The model assumes: a Quantum mechanical calculation of hole on-chain delocalization involving electron-phonon coupling leading to the Peierls instability, b Hybridization coupling between the polymer backbone and side-groups (or environmental states, which act as hole traps, and c Semiclassical description of the inter-chain hole transfer in an applied voltage based on Marcus theory. We have found that mobility resonantly depends on the hybridization coupling between polymer and linked groups. We observed also non-trivial mobility dependences on the difference of energies of the highest occupied molecular orbitals localized on the polymer backbone and side-groups, respectively, and hole concentration. Those findings are important for optimization of hybrid opto-electronic devices.
Wahlberg, Nanna; Madsen, Anders Ø; Mikkelsen, Kurt V
2018-06-09
The nucleation processes of acetaminophen on poly(methyl methacrylate) and poly(vinyl acetate) have been investigated and the mechanisms of the processes are studied. This is achieved by a combination of theoretical models and computational investigations within the framework of a modified QM/MM method; a Coulomb-van der Waals model. We have combined quantum mechanical computations and electrostatic models at the atomistic level for investigating the stability of different orientations of acetaminophen on the polymer surfaces. Based on the Coulomb-van der Waals model, we have determined the most stable orientation to be a flat orientation, and the strongest interaction is seen between poly(vinyl acetate) and the molecule in a flat orientation in vacuum.
Ruiz-Baier, Ricardo; Lunati, Ivan
2016-10-01
We present a novel discretization scheme tailored to a class of multiphase models that regard the physical system as consisting of multiple interacting continua. In the framework of mixture theory, we consider a general mathematical model that entails solving a system of mass and momentum equations for both the mixture and one of the phases. The model results in a strongly coupled and nonlinear system of partial differential equations that are written in terms of phase and mixture (barycentric) velocities, phase pressure, and saturation. We construct an accurate, robust and reliable hybrid method that combines a mixed finite element discretization of the momentum equations with a primal discontinuous finite volume-element discretization of the mass (or transport) equations. The scheme is devised for unstructured meshes and relies on mixed Brezzi-Douglas-Marini approximations of phase and total velocities, on piecewise constant elements for the approximation of phase or total pressures, as well as on a primal formulation that employs discontinuous finite volume elements defined on a dual diamond mesh to approximate scalar fields of interest (such as volume fraction, total density, saturation, etc.). As the discretization scheme is derived for a general formulation of multicontinuum physical systems, it can be readily applied to a large class of simplified multiphase models; on the other, the approach can be seen as a generalization of these models that are commonly encountered in the literature and employed when the latter are not sufficiently accurate. An extensive set of numerical test cases involving two- and three-dimensional porous media are presented to demonstrate the accuracy of the method (displaying an optimal convergence rate), the physics-preserving properties of the mixed-primal scheme, as well as the robustness of the method (which is successfully used to simulate diverse physical phenomena such as density fingering, Terzaghi's consolidation
A finite element model of ferroelectric/ferroelastic polycrystals
Energy Technology Data Exchange (ETDEWEB)
HWANG,STEPHEN C.; MCMEEKING,ROBERT M.
2000-02-17
A finite element model of polarization switching in a polycrystalline ferroelectric/ferroelastic ceramic is developed. It is assumed that a crystallite switches if the reduction in potential energy of the polycrystal exceeds a critical energy barrier per unit volume of switching material. Each crystallite is represented by a finite element with the possible dipole directions assigned randomly subject to crystallographic constraints. The model accounts for both electric field induced (i.e. ferroelectric) switching and stress induced (i.e. ferroelastic) switching with piezoelectric interactions. Experimentally measured elastic, dielectric, and piezoelectric constants are used consistently, but different effective critical energy barriers are selected phenomenologically. Electric displacement versus electric field, strain versus electric field, stress versus strain, and stress versus electric displacement loops of a ceramic lead lanthanum zirconate titanate (PLZT) are modeled well below the Curie temperature.
Finite element modeling of trolling-mode AFM.
Sajjadi, Mohammadreza; Pishkenari, Hossein Nejat; Vossoughi, Gholamreza
2018-06-01
Trolling mode atomic force microscopy (TR-AFM) has overcome many imaging problems in liquid environments by considerably reducing the liquid-resonator interaction forces. The finite element model of the TR-AFM resonator considering the effects of fluid and nanoneedle flexibility is presented in this research, for the first time. The model is verified by ABAQUS software. The effect of installation angle of the microbeam relative to the horizon and the effect of fluid on the system behavior are investigated. Using the finite element model, frequency response curve of the system is obtained and validated around the frequency of the operating mode by the available experimental results, in air and liquid. The changes in the natural frequencies in the presence of liquid are studied. The effects of tip-sample interaction on the excitation of higher order modes of the system are also investigated in air and liquid environments. Copyright © 2018 Elsevier B.V. All rights reserved.
Multiscale modeling of graphene- and nanotube-based reinforced polymer nanocomposites
Energy Technology Data Exchange (ETDEWEB)
Montazeri, A. [Computational Physical Sciences Research Laboratory, School of Nano-Science, Institute for Research in Fundamental Sciences (IPM), Tehran (Iran, Islamic Republic of); Rafii-Tabar, H., E-mail: rafii-tabar@nano.ipm.ac.ir [Computational Physical Sciences Research Laboratory, School of Nano-Science, Institute for Research in Fundamental Sciences (IPM), Tehran (Iran, Islamic Republic of); Department of Medical Physics and Biomedical Engineering, and Research Centre for Medical Nanotechnology and Tissue Engineering, Shahid Beheshti University of Medical Sciences, Evin, Tehran (Iran, Islamic Republic of)
2011-10-31
A combination of molecular dynamics, molecular structural mechanics, and finite element method is employed to compute the elastic constants of a polymeric nanocomposite embedded with graphene sheets, and carbon nanotubes. The model is first applied to study the effect of inclusion of graphene sheets on the Young modulus of the composite. To explore the significance of the nanofiller geometry, the elastic constants of nanotube-based and graphene-based polymer composites are computed under identical conditions. The reinforcement role of these nanofillers is also investigated in transverse directions. Moreover, the dependence of the nanocomposite's axial Young modulus on the presence of ripples on the surface of the embedded graphene sheets, due to thermal fluctuations, is examined via MD simulations. Finally, we have also studied the effect of sliding motion of graphene layers on the elastic constants of the nanocomposite. -- Highlights: → A hierarchical MD/FEM multiscale model of nanocomposites is developed. → At low nanofiller content, graphene layers perform significantly better than CNTs. → Ripples in the graphene layers reduce the Young modulus of nanocomposites. → The elastic moduli is considerably affected by the shear of graphene layers.
Multiscale modeling of graphene- and nanotube-based reinforced polymer nanocomposites
International Nuclear Information System (INIS)
Montazeri, A.; Rafii-Tabar, H.
2011-01-01
A combination of molecular dynamics, molecular structural mechanics, and finite element method is employed to compute the elastic constants of a polymeric nanocomposite embedded with graphene sheets, and carbon nanotubes. The model is first applied to study the effect of inclusion of graphene sheets on the Young modulus of the composite. To explore the significance of the nanofiller geometry, the elastic constants of nanotube-based and graphene-based polymer composites are computed under identical conditions. The reinforcement role of these nanofillers is also investigated in transverse directions. Moreover, the dependence of the nanocomposite's axial Young modulus on the presence of ripples on the surface of the embedded graphene sheets, due to thermal fluctuations, is examined via MD simulations. Finally, we have also studied the effect of sliding motion of graphene layers on the elastic constants of the nanocomposite. -- Highlights: → A hierarchical MD/FEM multiscale model of nanocomposites is developed. → At low nanofiller content, graphene layers perform significantly better than CNTs. → Ripples in the graphene layers reduce the Young modulus of nanocomposites. → The elastic moduli is considerably affected by the shear of graphene layers.
Gnanasekaran, K.; Heijmans, T.; van Bennekom, S.; Woldhuis, H.; Wijnia, S.; de With, G.; Friedrich, H.
2017-01-01
Fused deposition modeling (FDM) is limited by the availability of application specific functional materials. Here we illustrate printing of non-conventional polymer nanocomposites (CNT- and graphene-based polybutylene terephthalate (PBT)) on a commercially available desktop 3D printer leading toward printing of electrically conductive structures. The printability, electrical conductivity and mechanical stability of the polymer nanocomposites before and after 3D printing was evaluated. The res...
Particle-in-a-box model of exciton absorption and electroabsorption in conjugated polymers
Pedersen, Thomas G.
2000-12-01
The recently proposed particle-in-a-box model of one-dimensional excitons in conjugated polymers is applied in calculations of optical absorption and electroabsorption spectra. It is demonstrated that for polymers of long conjugation length a superposition of single exciton resonances produces a line shape characterized by a square-root singularity in agreement with experimental spectra near the absorption edge. The effects of finite conjugation length on both absorption and electroabsorption spectra are analyzed.
Local Refinement of the Super Element Model of Oil Reservoir
Directory of Open Access Journals (Sweden)
A.B. Mazo
2017-12-01
Full Text Available In this paper, we propose a two-stage method for petroleum reservoir simulation. The method uses two models with different degrees of detailing to describe hydrodynamic processes of different space-time scales. At the first stage, the global dynamics of the energy state of the deposit and reserves is modeled (characteristic scale of such changes is km / year. The two-phase flow equations in the model of global dynamics operate with smooth averaged pressure and saturation fields, and they are solved numerically on a large computational grid of super-elements with a characteristic cell size of 200-500 m. The tensor coefficients of the super-element model are calculated using special procedures of upscaling of absolute and relative phase permeabilities. At the second stage, a local refinement of the super-element model is constructed for calculating small-scale processes (with a scale of m / day, which take place, for example, during various geological and technical measures aimed at increasing the oil recovery of a reservoir. Then we solve the two-phase flow problem in the selected area of the measure exposure on a detailed three-dimensional grid, which resolves the geological structure of the reservoir, and with a time step sufficient for describing fast-flowing processes. The initial and boundary conditions of the local problem are formulated on the basis of the super-element solution. This approach allows us to reduce the computational costs in order to solve the problems of designing and monitoring the oil reservoir. To demonstrate the proposed approach, we give an example of the two-stage modeling of the development of a layered reservoir with a local refinement of the model during the isolation of a water-saturated high-permeability interlayer. We show a good compliance between the locally refined solution of the super-element model in the area of measure exposure and the results of numerical modeling of the whole history of reservoir
On the finite element modeling of the asymmetric cracked rotor
AL-Shudeifat, Mohammad A.
2013-05-01
The advanced phase of the breathing crack in the heavy duty horizontal rotor system is expected to be dominated by the open crack state rather than the breathing state after a short period of operation. The reason for this scenario is the expected plastic deformation in crack location due to a large compression stress field appears during the continuous shaft rotation. Based on that, the finite element modeling of a cracked rotor system with a transverse open crack is addressed here. The cracked rotor with the open crack model behaves as an asymmetric shaft due to the presence of the transverse edge crack. Hence, the time-varying area moments of inertia of the cracked section are employed in formulating the periodic finite element stiffness matrix which yields a linear time-periodic system. The harmonic balance method (HB) is used for solving the finite element (FE) equations of motion for studying the dynamic behavior of the system. The behavior of the whirl orbits during the passage through the subcritical rotational speeds of the open crack model is compared to that for the breathing crack model. The presence of the open crack with the unbalance force was found only to excite the 1/2 and 1/3 of the backward critical whirling speed. The whirl orbits in the neighborhood of these subcritical speeds were found to have nearly similar behavior for both open and breathing crack models. While unlike the breathing crack model, the subcritical forward whirling speeds have not been observed for the open crack model in the response to the unbalance force. As a result, the behavior of the whirl orbits during the passage through the forward subcritical rotational speeds is found to be enough to distinguish the breathing crack from the open crack model. These whirl orbits with inner loops that appear in the neighborhood of the forward subcritical speeds are then a unique property for the breathing crack model.
Directory of Open Access Journals (Sweden)
Animesh Agarwal
2017-09-01
Full Text Available We present a hierarchical coarse-graining framework for modeling semidilute polymer solutions, based on the wavelet-accelerated Monte Carlo (WAMC method. This framework forms a hierarchy of resolutions to model polymers at length scales that cannot be reached via atomistic or even standard coarse-grained simulations. Previously, it was applied to simulations examining the structure of individual polymer chains in solution using up to four levels of coarse-graining (Ismail et al., J. Chem. Phys., 2005, 122, 234901 and Ismail et al., J. Chem. Phys., 2005, 122, 234902, recovering the correct scaling behavior in the coarse-grained representation. In the present work, we extend this method to the study of polymer solutions, deriving the bonded and non-bonded potentials between coarse-grained superatoms from the single chain statistics. A universal scaling function is obtained, which does not require recalculation of the potentials as the scale of the system is changed. To model semi-dilute polymer solutions, we assume the intermolecular potential between the coarse-grained beads to be equal to the non-bonded potential, which is a reasonable approximation in the case of semidilute systems. Thus, a minimal input of microscopic data is required for simulating the systems at the mesoscopic scale. We show that coarse-grained polymer solutions can reproduce results obtained from the more detailed atomistic system without a significant loss of accuracy.
2D Finite Element Model of a CIGS Module
Energy Technology Data Exchange (ETDEWEB)
Janssen, G.J.M.; Slooff, L.H.; Bende, E.E. [ECN Solar Energy, P.O.Box 1, NL-1755 ZG Petten (Netherlands)
2012-06-15
The performance of thin-film CIGS (Copper indium gallium selenide) modules is often limited due to inhomogeneities in CIGS layers. A 2-dimensional Finite Element Model for CIGS modules is presented that predicts the impact of such inhomogeneities on the module performance. Results are presented of a module with a region of poor diode characteristics. It is concluded that according to this model the effects of poor diodes depend strongly on their location in the module and on their dispersion over the module surface. Due to its generic character the model can also be applied to other series connections of photovoltaic cells.
2D - Finite element model of a CIGS module
Energy Technology Data Exchange (ETDEWEB)
Janssen, G.J.M.; Slooff, L.H.; Bende, E.E. [ECN Solar Energy, Petten (Netherlands)
2012-09-15
The performance of thin-film CIGS modules is often limited due to inhomogeneities in CIGS layers. A 2-dimensional Finite Element Model for CIGS modules is demonstrated that predicts the impact of such inhomogeneities on the module performance. Results are presented of a module with a region of poor diode characteristics. It is concluded that according to this model the effects of poor diodes depend strongly on their location in the module and on their dispersion over the module surface. Due to its generic character the model can also be applied to other series connections of photovoltaic cells.
Finite element modeling of TFTR poloidal field coils
International Nuclear Information System (INIS)
Baumgartner, J.A.; O'Toole, J.A.
1986-01-01
The Tokamak Fusion Test Reactor (TFTR) Poloidal Field (PF) coils were originally analyzed to TFTR design conditions. The coils have been reanalyzed by PPPL and Grumman to determine operating limits under as-built conditions. Critical stress levels, based upon data obtained from the reanalysis of each PF coil, are needed for input to the TFTR simulation code algorithms. The primary objective regarding structural integrity has been to ascertain the magnitude and location of critical internal stresses in each PF coil due to various combinations of electromagnetic and thermally induced loads. For each PF coil, a global finite element model (FEM) of a coil sector is being analyzed to obtain the basic coil internal loads and displacements. Subsequent fine mesh local models of the coil lead stem and lead spur regions produce the magnitudes and locations of peak stresses. Each copper turn and its surrounding insulation are modeled using solid finite elements. The corresponding electromagnetic and thermal analyses are similarly modeled. A series of test beams were developed to determine the best combination of MSC/NASTRAN-type finite elements for use in PF coil analysis. The results of this analysis compare favorably with those obtained by the earlier analysis which was limited in scope
Modeling of the condyle elements within a biomechanical knee model
DEFF Research Database (Denmark)
Ribeiro, Ana; Rasmussen, John; Flores, Paulo
2012-01-01
The development of a computational multibody knee model able to capture some of the fundamental properties of the human knee articulation is presented. This desideratum is reached by including the kinetics of the real knee articulation. The research question is whether an accurate modeling of the...
Simple kinetic model of ion induced gas emission from polymers
Czech Academy of Sciences Publication Activity Database
Hnatowicz, Vladimír
2004-01-01
Roč. 215, 1/2 (2004), s. 162-168 ISSN 0168-583X R&D Projects: GA ČR GA106/03/0514; GA AV ČR IAA5011301 Institutional research plan: CEZ:AV0Z1048901 Keywords : polymers * ion irradiation * degradation Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 0.997, year: 2004
Integrated Modeling of Polymer Composites Under High Energy Laser Irradiation
2015-10-30
Toyota , K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, J. A., Jr.; Peralta, J. E...Resolution Mapping of Thermal History in Polymer Nanocomposites: Gold Nanorods as Microscale Temperature Sensors W. Joshua Kennedy,†,‡ Keith A. Slinker...of the AuNRs will not be strongly dependent on temperature history . Thus, the final aspect ratio of the AuNRs after heating in a given environment is
Elements of a collaborative systems model within the aerospace industry
Westphalen, Bailee R.
2000-10-01
Scope and method of study. The purpose of this study was to determine the components of current aerospace collaborative efforts. There were 44 participants from two selected groups surveyed for this study. Nineteen were from the Oklahoma Air National Guard based in Oklahoma City representing the aviation group. Twenty-five participants were from the NASA Johnson Space Center in Houston representing the aerospace group. The surveys for the aviation group were completed in reference to planning missions necessary to their operations. The surveys for the aerospace group were completed in reference to a well-defined and focused goal from a current mission. A questionnaire was developed to survey active participants of collaborative systems in order to consider various components found within the literature. Results were analyzed and aggregated through a database along with content analysis of open-ended question comments from respondents. Findings and conclusions. This study found and determined elements of a collaborative systems model in the aerospace industry. The elements were (1) purpose or mission for the group or team; (2) commitment or dedication to the challenge; (3) group or team meetings and discussions; (4) constraints of deadlines and budgets; (5) tools and resources for project and simulations; (6) significant contributors to the collaboration; (7) decision-making formats; (8) reviews of project; (9) participants education and employment longevity; (10) cross functionality of team or group members; (11) training on the job plus teambuilding; (12) other key elements identified relevant by the respondents but not included in the model such as communication and teamwork; (13) individual and group accountability; (14) conflict, learning, and performance; along with (15) intraorganizational coordination. These elements supported and allowed multiple individuals working together to solve a common problem or to develop innovation that could not have been
Analytical Modeling of the High Strain Rate Deformation of Polymer Matrix Composites
Goldberg, Robert K.; Roberts, Gary D.; Gilat, Amos
2003-01-01
The results presented here are part of an ongoing research program to develop strain rate dependent deformation and failure models for the analysis of polymer matrix composites subject to high strain rate impact loads. State variable constitutive equations originally developed for metals have been modified in order to model the nonlinear, strain rate dependent deformation of polymeric matrix materials. To account for the effects of hydrostatic stresses, which are significant in polymers, the classical 5 plasticity theory definitions of effective stress and effective plastic strain are modified by applying variations of the Drucker-Prager yield criterion. To verify the revised formulation, the shear and tensile deformation of a representative toughened epoxy is analyzed across a wide range of strain rates (from quasi-static to high strain rates) and the results are compared to experimentally obtained values. For the analyzed polymers, both the tensile and shear stress-strain curves computed using the analytical model correlate well with values obtained through experimental tests. The polymer constitutive equations are implemented within a strength of materials based micromechanics method to predict the nonlinear, strain rate dependent deformation of polymer matrix composites. In the micromechanics, the unit cell is divided up into a number of independently analyzed slices, and laminate theory is then applied to obtain the effective deformation of the unit cell. The composite mechanics are verified by analyzing the deformation of a representative polymer matrix composite (composed using the representative polymer analyzed for the correlation of the polymer constitutive equations) for several fiber orientation angles across a variety of strain rates. The computed values compare favorably to experimentally obtained results.
Finite element analysis of three dimensional crack growth by the use of a boundary element sub model
DEFF Research Database (Denmark)
Lucht, Tore
2009-01-01
A new automated method to model non-planar three dimensional crack growth is proposed which combines the advantages of both the boundary element method and the finite element method. The proposed method links the two methods by a submodelling strategy in which the solution of a global finite...... element model containing an approximation of the crack is interpolated to a much smaller boundary element model containing a fine discretization of the real crack. The method is validated through several numerical comparisons and by comparison to crack growth measured in a test specimen for an engineering...
A vortex model for Darrieus turbine using finite element techniques
Energy Technology Data Exchange (ETDEWEB)
Ponta, Fernando L. [Universidad de Buenos Aires, Dept. de Electrotecnia, Grupo ISEP, Buenos Aires (Argentina); Jacovkis, Pablo M. [Universidad de Buenos Aires, Dept. de Computacion and Inst. de Calculo, Buenos Aires (Argentina)
2001-09-01
Since 1970 several aerodynamic prediction models have been formulated for the Darrieus turbine. We can identify two families of models: stream-tube and vortex. The former needs much less computation time but the latter is more accurate. The purpose of this paper is to show a new option for modelling the aerodynamic behaviour of Darrieus turbines. The idea is to combine a classic free vortex model with a finite element analysis of the flow in the surroundings of the blades. This avoids some of the remaining deficiencies in classic vortex models. The agreement between analysis and experiment when predicting instantaneous blade forces and near wake flow behind the rotor is better than the one obtained in previous models. (Author)
Critical elements on fitting the Bayesian multivariate Poisson Lognormal model
Zamzuri, Zamira Hasanah binti
2015-10-01
Motivated by a problem on fitting multivariate models to traffic accident data, a detailed discussion of the Multivariate Poisson Lognormal (MPL) model is presented. This paper reveals three critical elements on fitting the MPL model: the setting of initial estimates, hyperparameters and tuning parameters. These issues have not been highlighted in the literature. Based on simulation studies conducted, we have shown that to use the Univariate Poisson Model (UPM) estimates as starting values, at least 20,000 iterations are needed to obtain reliable final estimates. We also illustrated the sensitivity of the specific hyperparameter, which if it is not given extra attention, may affect the final estimates. The last issue is regarding the tuning parameters where they depend on the acceptance rate. Finally, a heuristic algorithm to fit the MPL model is presented. This acts as a guide to ensure that the model works satisfactorily given any data set.
Isotope and trace element models of crustal evolution
International Nuclear Information System (INIS)
O'Nions, R.K.; Hamilton, P.J.
1981-01-01
Some of the isotopic constraints on the development of continental crust from about 3.8 Ga ago are reviewed. Particularly it is noted that Archaean granitic (sensu lato) rocks have initial 143 Nd/ 144 Nd ratios close to predicted values for the bulk Earth at the time before emplacement, whereas those Phanerozoic granites investigated so far diverge considerably from the bulk Earth and betray the existence of later continental crust in their provenance. Geochemical evidence for recycling of some continent-derived elements into the mantle is examined and the important distinction between selected element recycling and bulk return of continental material is emphasized. Various transport models that have been proposed to model the development of continental crust are examined and some of their differences and similarities, particularly with respect to implications for continental recycling, are highlighted. (author)
Finite element modeling of micromachined MEMS photon devices
Evans, Boyd M., III; Schonberger, D. W.; Datskos, Panos G.
1999-09-01
The technology of microelectronics that has evolved over the past half century is one of great power and sophistication and can now be extended to many applications (MEMS and MOEMS) other than electronics. An interesting application of MEMS quantum devices is the detection of electromagnetic radiation. The operation principle of MEMS quantum devices is based on the photoinduced stress in semiconductors, and the photon detection results from the measurement of the photoinduced bending. These devices can be described as micromechanical photon detectors. In this work, we have developed a technique for simulating electronic stresses using finite element analysis. We have used our technique to model the response of micromechanical photon devices to external stimuli and compared these results with experimental data. Material properties, geometry, and bimaterial design play an important role in the performance of micromechanical photon detectors. We have modeled these effects using finite element analysis and included the effects of bimaterial thickness coating, effective length of the device, width, and thickness.
Finite Element Modeling of Micromachined MEMS Photon Devices
International Nuclear Information System (INIS)
Datskos, P.G.; Evans, B.M.; Schonberger, D.
1999-01-01
The technology of microelectronics that has evolved over the past half century is one of great power and sophistication and can now be extended to many applications (MEMS and MOEMS) other than electronics. An interesting application of MEMS quantum devices is the detection of electromagnetic radiation. The operation principle of MEMS quantum devices is based on the photoinduced stress in semiconductors, and the photon detection results from the measurement of the photoinduced bending. These devices can be described as micromechanical photon detectors. In this work, we have developed a technique for simulating electronic stresses using finite element analysis. We have used our technique to model the response of micromechanical photon devices to external stimuli and compared these results with experimental data. Material properties, geometry, and bimaterial design play an important role in the performance of micromechanical photon detectors. We have modeled these effects using finite element analysis and included the effects of bimaterial thickness coating, effective length of the device, width, and thickness
Finite element approximation to a model problem of transonic flow
International Nuclear Information System (INIS)
Tangmanee, S.
1986-12-01
A model problem of transonic flow ''the Tricomi equation'' in Ω is contained in IR 2 bounded by the rectangular-curve boundary is posed in the form of symmetric positive differential equations. The finite element method is then applied. When the triangulation of Ω-bar is made of quadrilaterals and the approximation space is the Lagrange polynomial, we get the error estimates. 14 refs, 1 fig
DEFF Research Database (Denmark)
Palleti, Hara Naga Krishna Teja; Thomsen, Ole Thybo; Taher, Siavash Talebi
In this paper, polymer foam cored sandwich structures with fibre reinforced composite face sheets subjected to combined mechanical and thermal loads will be analysed using the commercial FE code ABAQUS® incorporating both material and geometrical nonlinearity. Large displacements and rotations...
Numerical simulation of a lattice polymer model at its integrable point
International Nuclear Information System (INIS)
Bedini, A; Owczarek, A L; Prellberg, T
2013-01-01
We revisit an integrable lattice model of polymer collapse using numerical simulations. This model was first studied by Blöte and Nienhuis (1989 J. Phys. A: Math. Gen. 22 1415) and it describes polymers with some attraction, providing thus a model for the polymer collapse transition. At a particular set of Boltzmann weights the model is integrable and the exponents ν = 12/23 ≈ 0.522 and γ = 53/46 ≈ 1.152 have been computed via identification of the scaling dimensions x t = 1/12 and x h = −5/48. We directly investigate the polymer scaling exponents via Monte Carlo simulations using the pruned-enriched Rosenbluth method algorithm. By simulating this polymer model for walks up to length 4096 we find ν = 0.576(6) and γ = 1.045(5), which are clearly different from the predicted values. Our estimate for the exponent ν is compatible with the known θ-point value of 4/7 and in agreement with very recent numerical evaluation by Foster and Pinettes (2012 J. Phys. A: Math. Theor. 45 505003). (paper)
Development of a finite element model of decompressive craniectomy.
Directory of Open Access Journals (Sweden)
Tim L Fletcher
Full Text Available Decompressive craniectomy (DC, an operation whereby part of the skull is removed, is used in the management of patients with brain swelling. While the aim of DC is to reduce intracranial pressure, there is the risk that brain deformation and mechanical strain associated with the operation could damage the brain tissue. The nature and extent of the resulting strain regime is poorly understood at present. Finite element (FE models of DC can provide insight into this applied strain and hence assist in deciding on the best surgical procedures. However there is uncertainty about how well these models match experimental data, which are difficult to obtain clinically. Hence there is a need to validate any modelling approach outside the clinical setting. This paper develops an axisymmetric FE model of an idealised DC to assess the key features of such an FE model which are needed for an accurate simulation of DC. The FE models are compared with an experimental model using gelatin hydrogel, which has similar poro-viscoelastic material property characteristics to brain tissue. Strain on a central plane of the FE model and the front face of the experimental model, deformation and load relaxation curves are compared between experiment and FE. Results show good agreement between the FE and experimental models, providing confidence in applying the proposed FE modelling approach to DC. Such a model should use material properties appropriate for brain tissue and include a more realistic whole head geometry.
Equivalent parameter model of 1-3 piezocomposite with a sandwich polymer
Zhang, Yanjun; Wang, Likun; Qin, Lei
2018-06-01
A theoretical model was developed to investigate the performance of 1-3 piezoelectric composites with a sandwich polymer. Effective parameters, such as the electromechanical coupling factor, longitudinal velocity, and characteristic acoustic impedance of the piezocomposite, were predicted using the developed model. The influences of volume fractions and components of the polymer phase on the effective parameters of the piezoelectric composite were studied. The theoretical model was verified experimentally. The proposed model can reproduce the effective parameters of 1-3 piezoelectric composites with a sandwich polymer in the thickness mode. The measured electromechanical coupling factor was improved by more than 9.8% over the PZT/resin 1-3 piezoelectric composite.
Hydrogeological Properties of Geological Elements in Geological Model around KURT
Energy Technology Data Exchange (ETDEWEB)
Park, Kyung Woo; Kim, Kyung Soo; Koh, Yong Kwon; Choi, Jong Won [Korea Atomic Energy Institue, Daejeon (Korea, Republic of)
2012-09-15
To develop site characterization technologies for a radioactive waste disposal research in KAERI, the geological and hydrogeological investigations have been carried out since 1997. In 2006, the KURT (KAERI Underground Research Tunnel) was constructed to study a solute migration, a microbiology and an engineered barrier system as well as deeply to understand geological environments in in-situ condition. This study is performed as one of the site characterization works around KURT. Several investigations such as a lineament analysis, a borehole/tunnel survey, a geophyscial survey and logging in borehole, were used to construct the geological model. As a result, the geological model is constructed, which includes the lithological model and geo-structural model in this study. Moreover, from the results of the in-situ hydraulic tests, the hydrogeological properties of elements in geological model were evaluated.
Modelling of Rotational Capacity in Reinforced Linear Elements
DEFF Research Database (Denmark)
Hestbech, Lars; Hagsten, Lars German; Fisker, Jakob
2011-01-01
on the rotational capacity of the plastic hinges. The documentation of ductility can be a difficult task as modelling of rotational capacity in plastic hinges of frames is not fully developed. On the basis of the Theory of Plasticity a model is developed to determine rotational capacity in plastic hinges in linear......The Capacity Design Method forms the basis of several seismic design codes. This design philosophy allows plastic deformations in order to decrease seismic demands in structures. However, these plastic deformations must be localized in certain zones where ductility requirements can be documented...... reinforced concrete elements. The model is taking several important parameters into account. Empirical values is avoided which is considered an advantage compared to previous models. Furthermore, the model includes force variations in the reinforcement due to moment distributions and shear as well...
Hydrogeological Properties of Geological Elements in Geological Model around KURT
International Nuclear Information System (INIS)
Park, Kyung Woo; Kim, Kyung Soo; Koh, Yong Kwon; Choi, Jong Won
2012-01-01
To develop site characterization technologies for a radioactive waste disposal research in KAERI, the geological and hydrogeological investigations have been carried out since 1997. In 2006, the KURT (KAERI Underground Research Tunnel) was constructed to study a solute migration, a microbiology and an engineered barrier system as well as deeply to understand geological environments in in-situ condition. This study is performed as one of the site characterization works around KURT. Several investigations such as a lineament analysis, a borehole/tunnel survey, a geophyscial survey and logging in borehole, were used to construct the geological model. As a result, the geological model is constructed, which includes the lithological model and geo-structural model in this study. Moreover, from the results of the in-situ hydraulic tests, the hydrogeological properties of elements in geological model were evaluated.
Hindle, D.; Malz, A.; Donndorf, S.; Kley, J.; Kopp, H.
2012-04-01
We develop a coupled numerical model for fluid flow in deforming sedimentary basins. We combine a distinct element method for large deformations of crustal materials, with a finite element method for fluid flow according to a diffusion type equation. The key question in such a model is how to simulate evolving permeabilities due to upper and possibly middle crustal deformation, and the coupled issue of how localisation of deformation in faults and shear zones is itself influenced by fluid flow and fluid pressure and vice versa. Currently our knowledge of these issues is restricted, even sketchy. There are a number of hypotheses, based partly on geological and isotope geochemical observations, such as "seismic pumping" models, and fluid induced weak décollement models for thrust sheet transport which have gained quite wide acceptance. Observations around thrusts at the present day have also often been interpreted as showing deformation induced permeability. However, combining all the physics of these processes into a numerical simulation is a complicated task given the ranges of, in particular time scales of the processes we infer to be operating based on our various observations. We start this task by using an elastic fracture relationship between normal stresses across distinct element contacts (which we consider to be the equivalent of discrete, sliding fractures) and their openness and hence their transmissivity. This relates the mechanical state of the distinct element system to a discrete permeability field. Further than that, the geometry of the mechanical system is used to provide boundary conditions for fluid flow in a diffusion equation which also incorporates the permeability field. The next question we address is how to achieve a feedback between fluid pressures and deformation. We try two approaches: one treats pore space in the DEM as real, and calculates the force exerted locally by fluids and adds this to the force balance of the model; another
Masurel, R J; Gelineau, P; Lequeux, F; Cantournet, S; Montes, H
2017-12-27
In this paper we focus on the role of dynamical heterogeneities on the non-linear response of polymers in the glass transition domain. We start from a simple coarse-grained model that assumes a random distribution of the initial local relaxation times and that quantitatively describes the linear viscoelasticity of a polymer in the glass transition regime. We extend this model to non-linear mechanics assuming a local Eyring stress dependence of the relaxation times. Implementing the model in a finite element mechanics code, we derive the mechanical properties and the local mechanical fields at the beginning of the non-linear regime. The model predicts a narrowing of distribution of relaxation times and the storage of a part of the mechanical energy --internal stress-- transferred to the material during stretching in this temperature range. We show that the stress field is not spatially correlated under and after loading and follows a Gaussian distribution. In addition the strain field exhibits shear bands, but the strain distribution is narrow. Hence, most of the mechanical quantities can be calculated analytically, in a very good approximation, with the simple assumption that the strain rate is constant.
Quantitative Modelling of Trace Elements in Hard Coal.
Smoliński, Adam; Howaniec, Natalia
2016-01-01
The significance of coal in the world economy remains unquestionable for decades. It is also expected to be the dominant fossil fuel in the foreseeable future. The increased awareness of sustainable development reflected in the relevant regulations implies, however, the need for the development and implementation of clean coal technologies on the one hand, and adequate analytical tools on the other. The paper presents the application of the quantitative Partial Least Squares method in modeling the concentrations of trace elements (As, Ba, Cd, Co, Cr, Cu, Mn, Ni, Pb, Rb, Sr, V and Zn) in hard coal based on the physical and chemical parameters of coal, and coal ash components. The study was focused on trace elements potentially hazardous to the environment when emitted from coal processing systems. The studied data included 24 parameters determined for 132 coal samples provided by 17 coal mines of the Upper Silesian Coal Basin, Poland. Since the data set contained outliers, the construction of robust Partial Least Squares models for contaminated data set and the correct identification of outlying objects based on the robust scales were required. These enabled the development of the correct Partial Least Squares models, characterized by good fit and prediction abilities. The root mean square error was below 10% for all except for one the final Partial Least Squares models constructed, and the prediction error (root mean square error of cross-validation) exceeded 10% only for three models constructed. The study is of both cognitive and applicative importance. It presents the unique application of the chemometric methods of data exploration in modeling the content of trace elements in coal. In this way it contributes to the development of useful tools of coal quality assessment.
Development of a finite element model of the human abdomen.
Lee, J B; Yang, K H
2001-11-01
Currently, three-dimensional finite element models of the human body have been developed for frequently injured anatomical regions such as the brain, chest, extremities and pelvis. While a few models of the human body include the abdomen, these models have tended to oversimplify the complexity of the abdominal region. As the first step in understanding abdominal injuries via numerical methods, a 3D finite element model of a 50(th) percentile male human abdomen (WSUHAM) has been developed and validated against experimental data obtained from two sets of side impact tests and a series of frontal impact tests. The model includes a detailed representation of the liver, spleen, kidneys, spine, skin and major blood vessels. Hollow organs, such as the esophagus, stomach, small and large intestines, gallbladder, bile ducts, ureters, rectum and adrenal glands are grouped into three bodybags in order to provide realistic inertial properties and to maintain the position of the solid organs in their appropriate locations. Using direct connections, the model was joined superiorly to a partial model of the human thorax, and inferiorly to models of the human pelvis and the lower extremities that have been previously developed. Material properties for various tissues of the abdomen were derived from the literature. Data obtained in a series of cadaveric pendulum impact tests conducted at Wayne State University (WSU), a series of lateral drop tests conducted at Association Peugeot-Renault (APR) and a series of cadaveric lower abdomen frontal impact tests conducted at WSU were used to validate the model. Results predicted by the model match these experimental data for various impact speeds, impactor masses and drop heights. Further study is still needed in order to fully validate WSUHAM before it can be used to assess various impact loading conditions associated with vehicular crashes.
Finite element modeling of ultrasonic inspection of weldments
International Nuclear Information System (INIS)
Dewey, B.R.; Adler, L.; Oliver, B.F.; Pickard, C.A.
1983-01-01
High performance weldments for critical service applications require 100% inspection. Balanced against the adaptability of the ultrasonic method for automated inspection are the difficulties encountered with nonhomogeneous and anisotropic materials. This research utilizes crystals and bicrystals of nickel to model austenitic weld metal, where the anisotropy produces scattering and mode conversion, making detection and measurement of actual defects difficult. Well characterized samples of Ni are produced in a levitation zone melting facility. Crystals in excess of 25 mm diameter and length are large enough to permit ultrasonic measurements of attenuation, wave speed, and spectral content. At the same time, the experiments are duplicated as finite element models for comparison purposes
Finite element modeling and experimentation of bone drilling forces
International Nuclear Information System (INIS)
Lughmani, W A; Bouazza-Marouf, K; Ashcroft, I
2013-01-01
Bone drilling is an essential part of many orthopaedic surgery procedures, including those for internal fixation and for attaching prosthetics. Estimation and control of bone drilling forces are critical to prevent drill breakthrough, excessive heat generation, and mechanical damage to the bone. This paper presents a 3D finite element (FE) model for prediction of thrust forces experienced during bone drilling. The model incorporates the dynamic characteristics involved in the process along with the accurate geometrical considerations. The average critical thrust forces and torques obtained using FE analysis, for set of machining parameters are found to be in good agreement with the experimental results
Finite Element Approximation of the FENE-P Model
Barrett , John ,; Boyaval , Sébastien
2017-01-01
We extend our analysis on the Oldroyd-B model in Barrett and Boyaval [1] to consider the finite element approximation of the FENE-P system of equations, which models a dilute polymeric fluid, in a bounded domain $D $\\subset$ R d , d = 2 or 3$, subject to no flow boundary conditions. Our schemes are based on approximating the pressure and the symmetric conforma-tion tensor by either (a) piecewise constants or (b) continuous piecewise linears. In case (a) the velocity field is approximated by c...
Crack growth modeling in a specimen with polymer weld
Czech Academy of Sciences Publication Activity Database
Ševčík, Martin; Hutař, Pavel; Náhlík, Luboš; Lach, R.; Knésl, Zdeněk; Grellmann, W.
488-489, č. 1 (2012), s. 158-161 ISSN 1013-9826. [International Conference on Fracture and Damage Mechanics - FDM 2011 /10./. Dubrovník, 19.09.2011-21.09.2011] R&D Projects: GA ČR GC101/09/J027; GA ČR GD106/09/H035 Institutional research plan: CEZ:AV0Z20410507 Keywords : polymer weld * crack propagation * graded structure * fracture mechanics Subject RIV: JL - Materials Fatigue, Friction Mechanics
Material Models for the Human Torso Finite Element Model
2018-04-04
44-mm standard for body armors required ballistic tests of armor backed by Roma Plastilina clay . The scope has expanded to include hard armors as...conditions were not fully considered, and that the connections between the clay -backed deflections and goat lethality were preliminary results... viscosity component needed to represent organic tissue in the Mat77 material model. Material characterizations from the published literature were drawn
Hart, Robert James
In the current thesis, the 4-probe electrical resistance of carbon fiber-reinforced polymer (CFRP) composites is utilized as a metric for sensing low-velocity impact damage. A robust method has been developed for recovering the directionally dependent electrical resistivities using an experimental line-type 4-probe resistance method. Next, the concept of effective conducting thickness was uniquely applied in the development of a brand new point-type 4-probe method for applications with electrically anisotropic materials. An extensive experimental study was completed to characterize the 4-probe electrical resistance of CFRP specimens using both the traditional line-type and new point-type methods. Leveraging the concept of effective conducting thickness, a novel method was developed for building 4-probe electrical finite element (FE) models in COMSOL. The electrical models were validated against experimental resistance measurements and the FE models demonstrated predictive capabilities when applied to CFRP specimens with varying thickness and layup. These new models demonstrated a significant improvement in accuracy compared to previous literature and could provide a framework for future advancements in FE modeling of electrically anisotropic materials. FE models were then developed in ABAQUS for evaluating the influence of prescribed localized damage on the 4-probe resistance. Experimental data was compiled on the impact response of various CFRP laminates, and was used in the development of quasi- static FE models for predicting presence of impact-induced delamination. The simulation-based delamination predictions were then integrated into the electrical FE models for the purpose of studying the influence of realistic damage patterns on electrical resistance. When the size of the delamination damage was moderate compared to the electrode spacing, the electrical resistance increased by less than 1% due to the delamination damage. However, for a specimen with large
Induction Heating Model of Cermet Fuel Element Environmental Test (CFEET)
Gomez, Carlos F.; Bradley, D. E.; Cavender, D. P.; Mireles, O. R.; Hickman, R. R.; Trent, D.; Stewart, E.
2013-01-01
Deep space missions with large payloads require high specific impulse and relatively high thrust to achieve mission goals in reasonable time frames. Nuclear Thermal Rockets (NTR) are capable of producing a high specific impulse by employing heat produced by a fission reactor to heat and therefore accelerate hydrogen through a rocket nozzle providing thrust. Fuel element temperatures are very high (up to 3000 K) and hydrogen is highly reactive with most materials at high temperatures. Data covering the effects of high-temperature hydrogen exposure on fuel elements are limited. The primary concern is the mechanical failure of fuel elements due to large thermal gradients; therefore, high-melting-point ceramics-metallic matrix composites (cermets) are one of the fuels under consideration as part of the Nuclear Cryogenic Propulsion Stage (NCPS) Advance Exploration System (AES) technology project at the Marshall Space Flight Center. The purpose of testing and analytical modeling is to determine their ability to survive and maintain thermal performance in a prototypical NTR reactor environment of exposure to hydrogen at very high temperatures and obtain data to assess the properties of the non-nuclear support materials. The fission process and the resulting heating performance are well known and do not require that active fissile material to be integrated in this testing. A small-scale test bed; Compact Fuel Element Environmental Tester (CFEET), designed to heat fuel element samples via induction heating and expose samples to hydrogen is being developed at MSFC to assist in optimal material and manufacturing process selection without utilizing fissile material. This paper details the analytical approach to help design and optimize the test bed using COMSOL Multiphysics for predicting thermal gradients induced by electromagnetic heating (Induction heating) and Thermal Desktop for radiation calculations.
Ultrasonically assisted drilling: A finite-element model incorporating acoustic softening effects
International Nuclear Information System (INIS)
Phadnis, V A; Roy, A; Silberschmidt, V V
2013-01-01
Ultrasonically assisted drilling (UAD) is a novel machining technique suitable for drilling in hard-to-machine quasi-brittle materials such as carbon fibre reinforced polymer composites (CFRP). UAD has been shown to possess several advantages compared to conventional drilling (CD), including reduced thrust forces, diminished burr formation at drill exit and an overall improvement in roundness and surface finish of the drilled hole. Recently, our in-house experiments of UAD in CFRP composites demonstrated remarkable reductions in thrust-force and torque measurements (average force reductions in excess of 80%) when compared to CD with the same machining parameters. In this study, a 3D finite-element model of drilling in CFRP is developed. In order to model acoustic (ultrasonic) softening effects, a phenomenological model, which accounts for ultrasonically induced plastic strain, was implemented in ABAQUS/Explicit. The model also accounts for dynamic frictional effects, which also contribute to the overall improved machining characteristics in UAD. The model is validated with experimental findings, where an excellent correlation between the reduced thrust force and torque magnitude was achieved
DEFF Research Database (Denmark)
Economou, Ioannis; Makrodimitri, Zoi A.; Kontogeorgis, Georgios
2007-01-01
of gas and solvent solubilities using the test particle insertion method of Widom. Polymer chains are modelled using recently developed realistic atomistic force fields. Calculations are performed at various temperatures and ambient pressure. A crossover in the temperature dependence of solubility......) and also the phase equilibria of these mixtures over a wide composition range. In all cases, the agreement between model predictions/correlations and literature experimental data, when available, is excellent.......The solubility of n-alkanes, perfluoroalkanes, noble gases and light gases in four elastomer polymers containing silicon is examined based on molecular simulation and macroscopic equation of state modelling. Polymer melt samples generated from molecular dynamics ( MD) are used for the calculation...
Liu, Jun; Zhang, Liqun; Cao, Dapeng; Wang, Wenchuan
2009-12-28
Polymer nanocomposites (PNCs) often exhibit excellent mechanical, thermal, electrical and optical properties, because they combine the performances of both polymers and inorganic or organic nanoparticles. Recently, computer modeling and simulation are playing an important role in exploring the reinforcement mechanism of the PNCs and even the design of functional PNCs. This report provides an overview of the progress made in past decades in the investigation of the static, rheological and mechanical properties of polymer nanocomposites studied by computer modeling and simulation. Emphases are placed on exploring the mechanisms at the molecular level for the dispersion of nanoparticles in nanocomposites, the effects of nanoparticles on chain conformation and glass transition temperature (T(g)), as well as viscoelastic and mechanical properties. Finally, some future challenges and opportunities in computer modeling and simulation of PNCs are addressed.
International Nuclear Information System (INIS)
Ishida, Hitoshi; Meshii, Toshiyuki
2010-01-01
This study proposes an element size selection method named the 'Impact-Meshing (IM) method' for a finite element waves propagation analysis model, which is characterized by (1) determination of element division of the model with strain energy in the whole model, (2) static analysis (dynamic analysis in a single time step) with boundary conditions which gives a maximum change of displacement in the time increment and inertial (impact) force caused by the displacement change. In this paper, an example of application of the IM method to 3D ultrasonic wave propagation problem in an elastic solid is described. These examples showed an analysis result with a model determined by the IM method was convergence and calculation time for determination of element subdivision was reduced to about 1/6 by the IM Method which did not need determination of element subdivision by a dynamic transient analysis with 100 time steps. (author)
Finite element modeling of Balsa wood structures under severe loadings
International Nuclear Information System (INIS)
Toson, B.; Pesque, J.J.; Viot, P.
2014-01-01
In order to compute, in various situations, the requirements for transporting packages using Balsa wood as an energy absorber, a constitutive model is needed that takes into account all of the specific characteristics of the wood, such as its anisotropy, compressibility, softening, densification, and strain rate dependence. Such a model must also include the treatment of rupture of the wood when it is in traction. The complete description of wood behavior is not sufficient: robustness is also necessary because this model has to work in presence of large deformations and of many other external nonlinear phenomena in the surrounding structures. We propose such a constitutive model that we have developed using the commercial finite element package ABAQUS. The necessary data were acquired through an extensive compilation of the existing literature with the augmentation of personal measurements. Numerous validation tests are presented that represent different impact situations that a transportation cask might endure. (authors)
Energy Technology Data Exchange (ETDEWEB)
Eskandari Nasrabad, Afshin; Coalson, Rob D. [Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260 (United States); Jasnow, David [Department of Physics and Astronomy, University of Pittsburgh, Pittsburgh, Pennsylvania 15260 (United States); Zilman, Anton [Department of Physics, University of Toronto, Toronto, Ontario M5S 1A7 (Canada)
2016-08-14
Polymer-nanoparticle composites are a promising new class of materials for creation of controllable nano-patterned surfaces and nanopores. We use coarse-grained molecular dynamics simulations augmented with analytical theory to study the structural transitions of surface grafted polymer layers (brushes) induced by infiltration of nanoparticles that are attracted to the polymers in the layer. We systematically compare two different polymer brush geometries: one where the polymer chains are grafted to a planar surface and the other where the chains are grafted to the inside of a cylindrical nanochannel. We perform a comprehensive study of the effects of the material parameters such as the polymer chain length, chain grafting density, nanoparticle size, strength of attraction between nanoparticles and polymer monomers, and, in the case of the cylindrically grafted brush, the radius of the cylinder. We find a very general behavioral motif for all geometries and parameter values: the height of the polymer brush is non-monotonic in the nanoparticle concentration in solution. As the nanoparticle concentration increases, the brush height first decreases and after passing through a minimum value begins to increase, resulting in the swelling of the nanoparticle infused brush. These morphological features may be useful for devising tunable “smart” nano-devices whose effective dimensions can be reversibly and precisely adjusted by changing the nanoparticle concentration in solution. The results of approximate Self-Consistent Field Theory (SCFT) calculations, applicable in the regime of strong brush stretching, are compared to the simulation results. The SCFT calculations are found to be qualitatively, even semi-quantitatively, accurate when applied within their intended regime of validity, and provide a useful and efficient tool for modeling such materials.
N. Montanes; L. Sánchez-Nacher; M.J. Reig; O. Fenollar; T. Boronat
2017-01-01
[EN] Polymers are manufactured in molted state, so the rheological properties are mandatory in order to analyzeand evaluate its processability. The prediction of the viscoelastic response of a material and the simulationof the behavior of the same when it is processed is achieved with the application of the rheological models.In the preparation by extrusion of bicomponent polymer bers with self-crimping e ect it is essentialthat the two components have the same viscosity...
OXYGEN PRESSURE REGULATOR DESIGN AND ANALYSIS THROUGH FINITE ELEMENT MODELING
Directory of Open Access Journals (Sweden)
Asterios KOSMARAS
2017-05-01
Full Text Available Oxygen production centers produce oxygen in high pressure that needs to be defused. A regulator is designed and analyzed in the current paper for medical use in oxygen production centers. This study aims to design a new oxygen pressure regulator and perform an analysis using Finite Element Modeling in order to evaluate its working principle. In the design procedure,the main elements and the operating principles of a pressure regulator are taking into account. The regulator is designed and simulations take place in order to assessthe proposed design. Stress analysis results are presented for the main body of the regulator, as well as, flow analysis to determine some important flow characteristics in the inlet and outlet of the regulator.
Finite element modelling and analysis of composites toecaps
International Nuclear Information System (INIS)
Yang, C C; Duhovic, M; Lin, R J T; Bhattacharyya, D
2009-01-01
Composite toe-caps have attracted considerable attention due to their advantageous properties over traditional metallic toe-caps. However, the anisotropic properties of composite materials also make the toe-cap performance more complex to analyse. This project aims at developing a Finite Element (FE) model for composite toe-caps with the aid of compression testing data. The geometry of the toe-cap was first scanned and imported into an FEA software package to create a workable FE model. The method was then validated by comparing the FE model with experimental results of steel toe-caps. Manufacturing, modelling and testing of custom-made composite toe-cap samples were then carried out. Modelling outputs of composite toe-caps were compared with compression test data for validation. The stress distributions and deformations of the toe-caps were also analysed. Modelling of the steel and composite toe-caps was realized using LS-DYNA Solver and PrePost (registered) . All FE analyses were modelled with reference to European Standards. The developed FE models can in the future be used to model toe-caps with various materials to determine the effects of fibre orientation relating to structural strength, and to achieve structural optimisation.
Molecular modeling of polymer composite-analyte interactions in electronic nose sensors
Shevade, A. V.; Ryan, M. A.; Homer, M. L.; Manfreda, A. M.; Zhou, H.; Manatt, K. S.
2003-01-01
We report a molecular modeling study to investigate the polymer-carbon black (CB) composite-analyte interactions in resistive sensors. These sensors comprise the JPL electronic nose (ENose) sensing array developed for monitoring breathing air in human habitats. The polymer in the composite is modeled based on its stereoisomerism and sequence isomerism, while the CB is modeled as uncharged naphthalene rings with no hydrogens. The Dreiding 2.21 force field is used for the polymer, solvent molecules and graphite parameters are assigned to the carbon black atoms. A combination of molecular mechanics (MM) and molecular dynamics (NPT-MD and NVT-MD) techniques are used to obtain the equilibrium composite structure by inserting naphthalene rings in the polymer matrix. Polymers considered for this work include poly(4-vinylphenol), polyethylene oxide, and ethyl cellulose. Analytes studied are representative of both inorganic and organic compounds. The results are analyzed for the composite microstructure by calculating the radial distribution profiles as well as for the sensor response by predicting the interaction energies of the analytes with the composites. c2003 Elsevier Science B.V. All rights reserved.
Study and modeling of heat transfer during the solidification of semi-crystalline polymers
Energy Technology Data Exchange (ETDEWEB)
Le Goff, R.; Poutot, G.; Delaunay, D. [Laboratoire de Thermocinetique de l' ecole polytechnique de l' universite de Nantes, UMR CNRS 6607, rue Christian Pauc, BP 50609 44306 Nantes cedex 3 (France); Fulchiron, R.; Koscher, E. [Laboratoire des Materiaux Polymeres et des Biomateriaux, IMP/UMR CNRS 5627, Universite Claude Bernard, Lyon 1, 69622 Villeurbanne Cedex (France)
2005-12-01
Semi-crystalline polymers are materials whose behavior during their cooling is difficult to model because of the strong coupling between the crystallization, heat transfer, pressure and shear. Thanks to two original apparatus we study solidification of such a polymer without shear. Firstly the comparison between experimental results and a numerical model will permit to validate crystallization kinetic for cooling rate reachable by DSC. The second experiment makes it possible to analyze solidification for high cooling rate, corresponding to some manufacturing processes. It appears that crystallization has an influence on the thermal contact resistance. (author)
Calculation of the band structure of 2d conducting polymers using the network model
International Nuclear Information System (INIS)
Sabra, M. K.; Suman, H.
2007-01-01
the network model has been used to calculate the band structure the gap energy and Fermi level of conducting polymers in two dimensions. For this purpose, a geometrical classification of possible polymer chains configurations in two dimensions has been introduced leading to a classification of the unit cells based on the number of bonds in them. The model has been applied to graphite in 2D, represented by a three bonds unit cell, and, as a new case, the anti-parallel Polyacetylene chains (PA) in two dimensions, represented by a unit cell with four bons. The results are in good agreement with the first principles calculations. (author)
Statistical mechanics of directed models of polymers in the square lattice
Rensburg, J V
2003-01-01
Directed square lattice models of polymers and vesicles have received considerable attention in the recent mathematical and physical sciences literature. These are idealized geometric directed lattice models introduced to study phase behaviour in polymers, and include Dyck paths, partially directed paths, directed trees and directed vesicles models. Directed models are closely related to models studied in the combinatorics literature (and are often exactly solvable). They are also simplified versions of a number of statistical mechanics models, including the self-avoiding walk, lattice animals and lattice vesicles. The exchange of approaches and ideas between statistical mechanics and combinatorics have considerably advanced the description and understanding of directed lattice models, and this will be explored in this review. The combinatorial nature of directed lattice path models makes a study using generating function approaches most natural. In contrast, the statistical mechanics approach would introduce...
Lower extremity finite element model for crash simulation
Energy Technology Data Exchange (ETDEWEB)
Schauer, D.A.; Perfect, S.A.
1996-03-01
A lower extremity model has been developed to study occupant injury mechanisms of the major bones and ligamentous soft tissues resulting from vehicle collisions. The model is based on anatomically correct digitized bone surfaces of the pelvis, femur, patella and the tibia. Many muscles, tendons and ligaments were incrementally added to the basic bone model. We have simulated two types of occupant loading that occur in a crash environment using a non-linear large deformation finite element code. The modeling approach assumed that the leg was passive during its response to the excitation, that is, no active muscular contraction and therefore no active change in limb stiffness. The approach recognized that the most important contributions of the muscles to the lower extremity response are their ability to define and modify the impedance of the limb. When nonlinear material behavior in a component of the leg model was deemed important to response, a nonlinear constitutive model was incorporated. The accuracy of these assumptions can be verified only through a review of analysis results and careful comparison with test data. As currently defined, the model meets the objective for which it was created. Much work remains to be done, both from modeling and analysis perspectives, before the model can be considered complete. The model implements a modeling philosophy that can accurately capture both kinematic and kinetic response of the lower limb. We have demonstrated that the lower extremity model is a valuable tool for understanding the injury processes and mechanisms. We are now in a position to extend the computer simulation to investigate the clinical fracture patterns observed in actual crashes. Additional experience with this model will enable us to make a statement on what measures are needed to significantly reduce lower extremity injuries in vehicle crashes. 6 refs.
田中, 英一; TANAKA, Eiichi; 山本, 創太; YAMAMOTO, Sota; 坂本, 誠二; SAKAMOTO, Seiji; 中西, 孝文; NAKANISHI, Takafumi; 原田, 敦; HARADA, Atsushi; 水野, 雅士; MIZUNO, Masashi
2004-01-01
This paper is concerned with an individual finite element modeling system for femur and biomechanical evaluations of the influences of loading conditions, bone shape and bone density on risks of hip fracture. Firstly, a method to construct an individual finite element model by morphological parameters that represent femoral shapes was developed. Using the models with different shapes constructed by this method, the effects of fall direction, posture of upper body, femur shape and bone density...
Finite element modeling of nanotube structures linear and non-linear models
Awang, Mokhtar; Muhammad, Ibrahim Dauda
2016-01-01
This book presents a new approach to modeling carbon structures such as graphene and carbon nanotubes using finite element methods, and addresses the latest advances in numerical studies for these materials. Based on the available findings, the book develops an effective finite element approach for modeling the structure and the deformation of grapheme-based materials. Further, modeling processing for single-walled and multi-walled carbon nanotubes is demonstrated in detail.
Surface photovoltage measurements and finite element modeling of SAW devices.
Energy Technology Data Exchange (ETDEWEB)
Donnelly, Christine
2012-03-01
Over the course of a Summer 2011 internship with the MEMS department of Sandia National Laboratories, work was completed on two major projects. The first and main project of the summer involved taking surface photovoltage measurements for silicon samples, and using these measurements to determine surface recombination velocities and minority carrier diffusion lengths of the materials. The SPV method was used to fill gaps in the knowledge of material parameters that had not been determined successfully by other characterization methods. The second project involved creating a 2D finite element model of a surface acoustic wave device. A basic form of the model with the expected impedance response curve was completed, and the model is ready to be further developed for analysis of MEMS photonic resonator devices.
Active earth pressure model tests versus finite element analysis
Pietrzak, Magdalena
2017-06-01
The purpose of the paper is to compare failure mechanisms observed in small scale model tests on granular sample in active state, and simulated by finite element method (FEM) using Plaxis 2D software. Small scale model tests were performed on rectangular granular sample retained by a rigid wall. Deformation of the sample resulted from simple wall translation in the direction `from the soil" (active earth pressure state. Simple Coulomb-Mohr model for soil can be helpful in interpreting experimental findings in case of granular materials. It was found that the general alignment of strain localization pattern (failure mechanism) may belong to macro scale features and be dominated by a test boundary conditions rather than the nature of the granular sample.
FEWA: a Finite Element model of Water flow through Aquifers
International Nuclear Information System (INIS)
Yeh, G.T.; Huff, D.D.
1983-11-01
This report documents the implementation and demonstration of a Finite Element model of Water flow through Aquifers (FEWA). The particular features of FEWA are its versatility and flexibility to deal with as many real-world problems as possible. Point as well as distributed sources/sinks are included to represent recharges/pumpings and rainfall infiltrations. All sources/sinks can be transient or steady state. Prescribed hydraulic head on the Dirichlet boundaries and fluxes on Neumann or Cauchy boundaries can be time-dependent or constant. Source/sink strength over each element and node, hydraulic head at each Dirichlet boundary node, and flux at each boundary segment can vary independently of each other. Either completely confined or completely unconfined aquifers, or partially confined and partially unconfined aquifers can be dealt with effectively. Discretization of a compound region with very irregular curved boundaries is made easy by including both quadrilateral and triangular elements in the formulation. Large-field problems can be solved efficiently by including a pointwise iterative solution strategy as an optional alternative to the direct elimination solution method for the matrix equation approximating the partial differential equation of groundwater flow. FEWA also includes transient flow through confining leaky aquifers lying above and/or below the aquifer of interest. The model is verified against three simple cases to which analytical solutions are available. It is then demonstrated by two examples of how the model can be applied to heterogeneous and anisotropic aquifers with transient boundary conditions, time-dependent sources/sinks, and confining aquitards for a confined aquifer of variable thickness and for a free surface problem in an unconfined aquifer, respectively. 20 references, 25 figures, 8 tables
FEWA: a Finite Element model of Water flow through Aquifers
Energy Technology Data Exchange (ETDEWEB)
Yeh, G.T.; Huff, D.D.
1983-11-01
This report documents the implementation and demonstration of a Finite Element model of Water flow through Aquifers (FEWA). The particular features of FEWA are its versatility and flexibility to deal with as many real-world problems as possible. Point as well as distributed sources/sinks are included to represent recharges/pumpings and rainfall infiltrations. All sources/sinks can be transient or steady state. Prescribed hydraulic head on the Dirichlet boundaries and fluxes on Neumann or Cauchy boundaries can be time-dependent or constant. Source/sink strength over each element and node, hydraulic head at each Dirichlet boundary node, and flux at each boundary segment can vary independently of each other. Either completely confined or completely unconfined aquifers, or partially confined and partially unconfined aquifers can be dealt with effectively. Discretization of a compound region with very irregular curved boundaries is made easy by including both quadrilateral and triangular elements in the formulation. Large-field problems can be solved efficiently by including a pointwise iterative solution strategy as an optional alternative to the direct elimination solution method for the matrix equation approximating the partial differential equation of groundwater flow. FEWA also includes transient flow through confining leaky aquifers lying above and/or below the aquifer of interest. The model is verified against three simple cases to which analytical solutions are available. It is then demonstrated by two examples of how the model can be applied to heterogeneous and anisotropic aquifers with transient boundary conditions, time-dependent sources/sinks, and confining aquitards for a confined aquifer of variable thickness and for a free surface problem in an unconfined aquifer, respectively. 20 references, 25 figures, 8 tables.
Modeling of Cementitious Representative Volume Element with Additives
Shahzamanian, M. M.; Basirun, W. J.
CEMHYD3D has been employed to simulate the representative volume element (RVE) of cementitious systems (Type I cement) containing fly ash (Class F) through a voxel-based finite element analysis (FEA) approach. Three-dimensional microstructures composed of voxels are generated for a heterogeneous cementitious material consisting of various constituent phases. The primary focus is to simulate a cementitious RVE containing fly ash and to present the homogenized macromechanical properties obtained from its analysis. Simple kinematic uniform boundary conditions as well as periodic boundary conditions were imposed on the RVE to obtain the principal and shear moduli. Our current work considers the effect of fly ash percentage on the elastic properties based on the mass and volume replacements. RVEs with lengths of 50, 100 and 200μm at different degrees of hydration are generated, and the elastic properties are modeled and simulated. In general, the elastic properties of a cementitious RVE with fly ash replacement for cement based on mass and volume differ from each other. Moreover, the finite element (FE) mesh density effect is studied. Results indicate that mechanical properties decrease with increasing mesh density.
Pharmacokinetic study of medicinal polymers: models based on dextrans
International Nuclear Information System (INIS)
Kulakov, V.N.; Pimenova, G.N.; Matveev, V.A.; Sedov, V.V.; Vasil'ev, A.E.
1986-01-01
The authors study the pharmacokinetics of dextrans with various molecular masses modified by fluorescein isothiocyanate (FITC) using a radioisotope method. The radionuclide 125 I was selectively bound to a FITC residue attached to the polysaccharide by electrochemical iodination under potentiostatic conditions. In the experiments, dextrans modified by FITC were labeled with 125 I (DF- 125 I) by electrochemical iodination. The separation of DF- 125 I and FITC from ionic forms of the radionuclide not bound to the polymer was carried out. The properties of the samples obtained are presented. The radioactivity accumulated in the rate organs and urine studied are shown. The features of DF- 125 I behavior in the blood and liver are examined
Assessing women's lacrosse head impacts using finite element modelling.
Clark, J Michio; Hoshizaki, T Blaine; Gilchrist, Michael D
2018-04-01
Recently studies have assessed the ability of helmets to reduce peak linear and rotational acceleration for women's lacrosse head impacts. However, such measures have had low correlation with injury. Maximum principal strain interprets loading curves which provide better injury prediction than peak linear and rotational acceleration, especially in compliant situations which create low magnitude accelerations but long impact durations. The purpose of this study was to assess head and helmet impacts in women's lacrosse using finite element modelling. Linear and rotational acceleration loading curves from women's lacrosse impacts to a helmeted and an unhelmeted Hybrid III headform were input into the University College Dublin Brain Trauma Model. The finite element model was used to calculate maximum principal strain in the cerebrum. The results demonstrated for unhelmeted impacts, falls and ball impacts produce higher maximum principal strain values than stick and shoulder collisions. The strain values for falls and ball impacts were found to be within the range of concussion and traumatic brain injury. The results also showed that men's lacrosse helmets reduced maximum principal strain for follow-through slashing, falls and ball impacts. These findings are novel and demonstrate that for high risk events, maximum principal strain can be reduced by implementing the use of helmets if the rules of the sport do not effectively manage such situations. Copyright © 2018 Elsevier Ltd. All rights reserved.
Progress in Developing Finite Element Models Replicating Flexural Graphite Testing
International Nuclear Information System (INIS)
Bratton, Robert
2010-01-01
This report documents the status of flexural strength evaluations from current ASTM procedures and of developing finite element models predicting the probability of failure. This work is covered under QLD REC-00030. Flexural testing procedures of the American Society for Testing and Materials (ASTM) assume a linear elastic material that has the same moduli for tension and compression. Contrary to this assumption, graphite is known to have different moduli for tension and compression. A finite element model was developed and demonstrated that accounts for the difference in moduli tension and compression. Brittle materials such as graphite exhibit significant scatter in tensile strength, so probabilistic design approaches must be used when designing components fabricated from brittle materials. ASTM procedures predicting probability of failure in ceramics were compared to methods from the current version of the ASME graphite core components rules predicting probability of failure. Using the ASTM procedures yields failure curves at lower applied forces than the ASME rules. A journal paper was published in the Journal of Nuclear Engineering and Design exploring the statistical models of fracture in graphite.
A modified discrete element model for sea ice dynamics
Institute of Scientific and Technical Information of China (English)
LI Baohui; LI Hai; LIU Yu; WANG Anliang; JI Shunying
2014-01-01
Considering the discontinuous characteristics of sea ice on various scales, a modified discrete element mod-el (DEM) for sea ice dynamics is developed based on the granular material rheology. In this modified DEM, a soft sea ice particle element is introduced as a self-adjustive particle size function. Each ice particle can be treated as an assembly of ice floes, with its concentration and thickness changing to variable sizes un-der the conservation of mass. In this model, the contact forces among ice particles are calculated using a viscous-elastic-plastic model, while the maximum shear forces are described with the Mohr-Coulomb fric-tion law. With this modified DEM, the ice flow dynamics is simulated under the drags of wind and current in a channel of various widths. The thicknesses, concentrations and velocities of ice particles are obtained, and then reasonable dynamic process is analyzed. The sea ice dynamic process is also simulated in a vortex wind field. Taking the influence of thermodynamics into account, this modified DEM will be improved in the future work.
Discrete Element Modeling (DEM) of Triboelectrically Charged Particles: Revised Experiments
Hogue, Michael D.; Calle, Carlos I.; Curry, D. R.; Weitzman, P. S.
2008-01-01
In a previous work, the addition of basic screened Coulombic electrostatic forces to an existing commercial discrete element modeling (DEM) software was reported. Triboelectric experiments were performed to charge glass spheres rolling on inclined planes of various materials. Charge generation constants and the Q/m ratios for the test materials were calculated from the experimental data and compared to the simulation output of the DEM software. In this paper, we will discuss new values of the charge generation constants calculated from improved experimental procedures and data. Also, planned work to include dielectrophoretic, Van der Waals forces, and advanced mechanical forces into the software will be discussed.
Viscoelastic dynamic models of resilient elements used in railway tracks
Directory of Open Access Journals (Sweden)
Zbiciak Artur
2016-01-01
Full Text Available The paper presents selected theoretical aspects concerning viscoelastic dynamic modelling of resilient elements used in railway tracks. In order to characterize the research methodology for resilient mats in railway tracks, German Standards [1-4] are used herein. The main goal of the paper is to demonstrate the procedure of insertion loss calculation for a single degree of freedom truck system containing under-ballast mats. Selected results of certain dynamic characteristics of resilient truck systems (transmissibility, Bode and Nyquist plots etc. are also discussed. The results of calculations visualized in graphs, were obtained by using own applications written in programming language MATLAB.
A finite element model for the quench front evolution problem
International Nuclear Information System (INIS)
Folescu, J.; Galeao, A.C.N.R.; Carmo, E.G.D. do.
1985-01-01
A model for the rewetting problem associated with the loss of coolant accident in a PWR reactor is proposed. A variational formulation for the time-dependent heat conduction problem on fuel rod cladding is used, and appropriate boundary conditions are assumed in order to simulate the thermal interaction between the fuel rod cladding and the fluid. A numerical procedure which uses the finite element method for the spatial discretization and a Crank-Nicolson-like method for the step-by-step integration is developed. Some numerical results are presented showing the quench front evolution and its stationary profile. (Author) [pt
A coordination chemistry approach for modeling trace element adsorption
International Nuclear Information System (INIS)
Bourg, A.C.M.
1986-01-01
The traditional distribution coefficient, Kd, is highly dependent on the water chemistry and the surface properties of the geological system being studied and is therefore quite inappropriate for use in predictive models. Adsorption, one of the many processes included in Kd values, is described here using a coordination chemistry approach. The concept of adsorption of cationic trace elements by solid hydrous oxides can be applied to natural solids. The adsorption process is thus understood in terms of a classical complexation leading to the formation of surface (heterogeneous) ligands. Applications of this concept to some freshwater, estuarine and marine environments are discussed. (author)
Modeling fiber Bragg grating device networks in photomechanical polymer optical fibers
Lanska, Joseph T.; Kuzyk, Mark G.; Sullivan, Dennis M.
2015-09-01
We report on the modeling of fiber Bragg grating (FBG) networks in poly(methyl methacrylate) (PMMA) polymer fibers doped with azo dyes. Our target is the development of Photomechanical Optical Devices (PODs), comprised of two FBGs in series, separated by a Fabry-Perot cavity of photomechanical material. PODs exhibit photomechanical multi-stability, with the capacity to access multiple length states for a fixed input intensity when a mechanical shock is applied. Using finite-difference time-domain (FDTD) numerical methods, we modeled the photomechanical response of both Fabry-Perot and Bragg-type PODs in a single polymer optical fiber. The polymer fiber was modeled as an instantaneous Kerr-type nonlinear χ(3) material. Our model correctly predicts the essential optical features of FBGs as well as the photomechanical multi-stability of nonlinear Fabry-Perot cavity-based PODs. Networks of PODs may provide a framework for smart shape-shifting materials and fast optical computation where the decision process is distributed over the entire network. In addition, a POD can act as memory, and its response can depend on input history. Our models inform and will accelerate targeted development of novel Bragg grating-based polymer fiber device networks for a variety of applications in optical computing and smart materials.
Directory of Open Access Journals (Sweden)
Sagar Singh
2016-03-01
Full Text Available Single-unit recording neural probes have significant advantages towards improving signal-to-noise ratio and specificity for signal acquisition in brain-to-computer interface devices. Long-term effectiveness is unfortunately limited by the chronic injury response, which has been linked to the mechanical mismatch between rigid probes and compliant brain tissue. Small, flexible microelectrodes may overcome this limitation, but insertion of these probes without buckling requires supporting elements such as a stiff coating with a biodegradable polymer. For these coated probes, there is a design trade-off between the potential for successful insertion into brain tissue and the degree of trauma generated by the insertion. The objective of this study was to develop and validate a finite element model (FEM to simulate insertion of coated neural probes of varying dimensions and material properties into brain tissue. Simulations were performed to predict the buckling and insertion forces during insertion of coated probes into a tissue phantom with material properties of brain. The simulations were validated with parallel experimental studies where probes were inserted into agarose tissue phantom, ex vivo chick embryonic brain tissue, and ex vivo rat brain tissue. Experiments were performed with uncoated copper wire and both uncoated and coated SU-8 photoresist and Parylene C probes. Model predictions were found to strongly agree with experimental results (<10% error. The ratio of the predicted buckling force-to-predicted insertion force, where a value greater than one would ideally be expected to result in successful insertion, was plotted against the actual success rate from experiments. A sigmoidal relationship was observed, with a ratio of 1.35 corresponding to equal probability of insertion and failure, and a ratio of 3.5 corresponding to a 100% success rate. This ratio was dubbed the “safety factor”, as it indicated the degree to which the coating
Energy Technology Data Exchange (ETDEWEB)
Sanchez, J.Y.; Chauvin, C.; Marechal, M.; Saunier, J.; Glandut, N.; Alloin, F.; My Ahmed Said, A.S.; Guindet, J. [Institut National Polytechnique, ENSEEG/INPG, LEPMI, 38 - Grenoble (France); Chabert, F.; El Kissi, N. [Ecole Nationale Superieure d' Hydraulique et de Mecanique de Grenoble, ENSHMG/INPG, 38 - Grenoble (France); Lojoiu, C. [ERAS-Labo 222, 38 - Saint Nazaires les Eymes (France); Dufresne, A. [CERMAV/CNRS, 38 - Grenoble (France)
2003-10-01
Fuel cells and lithium batteries based on polymer electrolytes are promising technologies. A global approach of these materials, including their functional as well as their structural properties and the film forming conditions is necessary. At the junction of several scientific fields - i.e. chemistry, electrochemistry, physical chemistry, rheology - the development of new materials requires a multi-disciplinary approach. The huge variety of macromolecular structure, as the opportunity to incorporate the ionic function onto the macromolecular backbone, will allow many draw-backs related to the use of liquid electrolytes to be overcame. (authors)
Peltier cells as temperature control elements: Experimental characterization and modeling
International Nuclear Information System (INIS)
Mannella, Gianluca A.; La Carrubba, Vincenzo; Brucato, Valerio
2014-01-01
The use of Peltier cells to realize compact and precise temperature controlled devices is under continuous extension in recent years. In order to support the design of temperature control systems, a simplified modeling of heat transfer dynamics for thermoelectric devices is presented. By following a macroscopic approach, the heat flux removed at the cold side of Peltier cell can be expressed as Q . c =γ(T c −T c eq ), where γ is a coefficient dependent on the electric current, T c and T c eq are the actual and steady state cold side temperature, respectively. On the other hand, a microscopic modeling approach was pursued via finite element analysis software packages. To validate the models, an experimental apparatus was designed and build-up, consisting in a sample vial with the surfaces in direct contact with Peltier cells. Both modeling approaches led to reliable prediction of transient and steady state sample temperature. -- Highlights: • Simplified modeling of heat transfer dynamics in Peltier cells. • Coupled macroscopic and microscopic approach. • Experimental apparatus: temperature control of a sample vial. • Both modeling approaches predict accurately the transient and steady state sample temperature
Berto, Daniela; Rampazzo, Federico; Gion, Claudia; Noventa, Seta; Ronchi, Francesca; Traldi, Umberto; Giorgi, Giordano; Cicero, Anna Maria; Giovanardi, Otello
2017-06-01
Plastic waste is a growing global environmental problem, particularly in the marine ecosystems, in consideration of its persistence. The monitoring of the plastic waste has become a global issue, as reported by several surveillance guidelines proposed by Regional Sea Conventions (OSPAR, UNEP) and appointed by the EU Marine Strategy Framework Directive. Policy responses to plastic waste vary at many levels, ranging from beach clean-up to bans on the commercialization of plastic bags and to Regional Plans for waste management and recycling. Moreover, in recent years, the production of plant-derived biodegradable plastic polymers has assumed increasing importance. This study reports the first preliminary characterization of carbon stable isotopes (δ 13 C) of different plastic polymers (petroleum- and plant-derived) in order to increase the dataset of isotopic values as a tool for further investigation in different fields of polymers research as well as in the marine environment surveillance. The δ 13 C values determined in different packaging for food uses reflect the plant origin of "BIO" materials, whereas the recycled plastic materials displayed a δ 13 C signatures between plant- and petroleum-derived polymers source. In a preliminary estimation, the different colours of plastic did not affect the variability of δ 13 C values, whereas the abiotic and biotic degradation processes that occurred in the plastic materials collected on beaches and in seawater, showed less negative δ 13 C values. A preliminary experimental field test confirmed these results. The advantages offered by isotope ratio mass spectrometry with respect to other analytical methods used to characterize the composition of plastic polymers are: high sensitivity, small amount of material required, rapidity of analysis, low cost and no limitation in black/dark samples compared with spectroscopic analysis. Copyright © 2017 Elsevier Ltd. All rights reserved.
Long Fibre Composite Modelling Using Cohesive User's Element
International Nuclear Information System (INIS)
Kozak, Vladislav; Chlup, Zdenek
2010-01-01
The development glass matrix composites reinforced by unidirectional long ceramic fibre has resulted in a family of very perspective structural materials. The only disadvantage of such materials is relatively high brittleness at room temperature. The main micromechanisms acting as toughening mechanism are the pull out, crack bridging, matrix cracking. There are other mechanisms as crack deflection etc. but the primer mechanism is mentioned pull out which is governed by interface between fibre and matrix. The contribution shows a way how to predict and/or optimise mechanical behaviour of composite by application of cohesive zone method and write user's cohesive element into the FEM numerical package Abaqus. The presented results from numerical calculations are compared with experimental data. Crack extension is simulated by means of element extinction algorithms. The principal effort is concentrated on the application of the cohesive zone model with the special traction separation (bridging) law and on the cohesive zone modelling. Determination of micro-mechanical parameters is based on the combination of static tests, microscopic observations and numerical calibration procedures.
Finite element modeling of electrically rectified piezoelectric energy harvesters
International Nuclear Information System (INIS)
Wu, P H; Shu, Y C
2015-01-01
Finite element models are developed for designing electrically rectified piezoelectric energy harvesters. They account for the consideration of common interface circuits such as the standard and parallel-/series-SSHI (synchronized switch harvesting on inductor) circuits, as well as complicated structural configurations such as arrays of piezoelectric oscillators. The idea is to replace the energy harvesting circuit by the proposed equivalent load impedance together with the capacitance of negative value. As a result, the proposed framework is capable of being implemented into conventional finite element solvers for direct system-level design without resorting to circuit simulators. The validation based on COMSOL simulations carried out for various interface circuits by the comparison with the standard modal analysis model. The framework is then applied to the investigation on how harvested power is reduced due to fabrication deviations in geometric and material properties of oscillators in an array system. Remarkably, it is found that for a standard array system with strong electromechanical coupling, the drop in peak power turns out to be insignificant if the optimal load is carefully chosen. The second application is to design broadband energy harvesting by developing array systems with suitable interface circuits. The result shows that significant broadband is observed for the parallel (series) connection of oscillators endowed with the parallel-SSHI (series-SSHI) circuit technique. (paper)
Finite element modeling of electrically rectified piezoelectric energy harvesters
Wu, P. H.; Shu, Y. C.
2015-09-01
Finite element models are developed for designing electrically rectified piezoelectric energy harvesters. They account for the consideration of common interface circuits such as the standard and parallel-/series-SSHI (synchronized switch harvesting on inductor) circuits, as well as complicated structural configurations such as arrays of piezoelectric oscillators. The idea is to replace the energy harvesting circuit by the proposed equivalent load impedance together with the capacitance of negative value. As a result, the proposed framework is capable of being implemented into conventional finite element solvers for direct system-level design without resorting to circuit simulators. The validation based on COMSOL simulations carried out for various interface circuits by the comparison with the standard modal analysis model. The framework is then applied to the investigation on how harvested power is reduced due to fabrication deviations in geometric and material properties of oscillators in an array system. Remarkably, it is found that for a standard array system with strong electromechanical coupling, the drop in peak power turns out to be insignificant if the optimal load is carefully chosen. The second application is to design broadband energy harvesting by developing array systems with suitable interface circuits. The result shows that significant broadband is observed for the parallel (series) connection of oscillators endowed with the parallel-SSHI (series-SSHI) circuit technique.
Tsvetkov, Vladimir B.; Serbin, Alexander V.
2014-06-01
In previous works we reported the design, synthesis and in vitro evaluations of synthetic anionic polymers modified by alicyclic pendant groups (hydrophobic anchors), as a novel class of inhibitors of the human immunodeficiency virus type 1 ( HIV-1) entry into human cells. Recently, these synthetic polymers interactions with key mediator of HIV-1 entry-fusion, the tri-helix core of the first heptad repeat regions [ HR1]3 of viral envelope protein gp41, were pre-studied via docking in terms of newly formulated algorithm for stepwise approximation from fragments of polymeric backbone and side-group models toward real polymeric chains. In the present article the docking results were verified under molecular dynamics ( MD) modeling. In contrast with limited capabilities of the docking, the MD allowed of using much more large models of the polymeric ligands, considering flexibility of both ligand and target simultaneously. Among the synthesized polymers the dinorbornen anchors containing alternating copolymers of maleic acid were selected as the most representative ligands (possessing the top anti-HIV activity in vitro in correlation with the highest binding energy in the docking). To verify the probability of binding of the polymers with the [HR1]3 in the sites defined via docking, various starting positions of polymer chains were tried. The MD simulations confirmed the main docking-predicted priority for binding sites, and possibilities for axial and belting modes of the ligands-target interactions. Some newly MD-discovered aspects of the ligand's backbone and anchor units dynamic cooperation in binding the viral target clarify mechanisms of the synthetic polymers anti-HIV activity and drug resistance prevention.
International Nuclear Information System (INIS)
Hilts, M; Jirasek, A; Duzenli, C
2004-01-01
Due to a density change that occurs in irradiated polyacrylamide gel (PAG), x-ray computed tomography (CT) has emerged as a feasible method of performing polymer gel dosimetry. However, applicability of the technique is currently limited by low sensitivity of the density change to dose. This work investigates the effect of PAG composition on the radiation induced density change and provides direction for future work in improving the sensitivity of CT polymer gel dosimetry. A model is developed that describes the PAG density change (Δρ gel ) as a function of both polymer yield (%P) and an intrinsic density change, per unit polymer yield, that occurs on conversion of monomer to polymer (Δρ polymer ). %P is a function of the fraction of monomer consumed and the weight fraction of monomer in the unirradiated gel (%T). Applying the model to experimental CT and Raman spectroscopic data, two important fundamental properties of the response of PAG density to dose (Δρ gel dose response) are discovered. The first property is that Δρ polymer depends on PAG %C (cross-linking fraction of total monomer) such that low and high %C PAGs exhibit a higher Δρ polymer than do more intermediate %C PAGs. This relationship is opposite to the relationship of polymer yield to %C and is explained by the effect of %C on the type of polymer formed. The second property is that the Δρ gel dose response is linearly dependent on %T. From the model, the inference is that, at least for %T≤12%, monomer consumption and Δρ polymer depend solely on %C. In terms of optimizing CT polymer gel dosimetry for high sensitivity, these results indicate that Δρ polymer can be expected to vary with each polymer gel system and thus should be considered when choosing a polymer gel for CT gel dosimetry. However, Δρ polymer and %P cannot be maximized simultaneously and maximizing %P, by choosing gels with intermediate %C and high %T, is found to have the greatest impact on increasing the
Elements of Constitutive Modelling and Numerical Analysis of Frictional Soils
DEFF Research Database (Denmark)
Jakobsen, Kim Parsberg
of a constitutive model for soil is based on a profound knowledge of the soil behaviour upon loading. In the present study it is attempted to get a better understanding of the soil behaviour bv performing a number of triaxial compression tests on sand. The stress-strain behaviour of sand depends strongly......This thesis deals with elements of elasto-plastic constitutive modelling and numerical analysis of frictional soils. The thesis is based on a number of scientific papers and reports in which central characteristics of soil behaviour and applied numerical techniques are considered. The development...... and subsequently dilates during shear. The change in the volumetric behaviour of the soil skeleton is commonly referred to as the characteristic state. The stress ratio corresponding to the characteristic state is independent of the mean normal effective stress and the relative density, but depends on the stress...
MATERIAL ELEMENT MODEL FOR EXTRINSIC SEMICONDUCTORS WITH DEFECTS OF DISLOCATION
Directory of Open Access Journals (Sweden)
Maria Paola Mazzeo
2011-07-01
Full Text Available In a previous paper we outlined a geometric model for the thermodynamic description of extrinsic semiconductors with defects of dislocation.Applying a geometrization technique, within the rationalextended irreversible thermodynamics with internal variables, the dynamical system for simple material elements of these media, the expressions of the entropy function and the entropy 1-form were obtained. In this contribution we deepen the study of this geometric model. We give a detailed description of the defective media under consideration and of the dislocation core tensor, we introduce the transformation induced by the process and, applying the closure conditions for the entropy 1-form, we derive the necessary conditions for the existence of the entropy function. These and other results are new in the paper.The derivation of the relevant entropy 1-form is the starting point to introduce an extended thermodynamical phase space.
Discrete element modeling of calcium-silicate-hydrate
International Nuclear Information System (INIS)
Chandler, Mei Qiang; Peters, John F; Pelessone, Daniele
2013-01-01
The discrete element method (DEM) was used to model calcium-silicate-hydrate (C-S-H) at the nanoscale. The C-S-H nanoparticles were modeled as spherical particles with diameters of approximately 5 nm. Interparticle forces included traditional mechanical contact forces, van der Waals forces and ionic correlation forces due to negatively charged C-S-H nanoparticles and ion species in the nanopores. Previous work by the authors demonstrated the DEM method was feasible in studying the properties of the C-S-H nanostructures. In this work, the simulations were performed to look into the effects of nanoparticle packing, nanoparticle morphology, interparticle forces and nanoparticle properties on the deformation mechanisms and mechanical properties of the C-S-H matrix. This work will provide insights into possible ways to improve the properties of the C-S-H matrix. (paper)
Finite-element model of ultrasonic NDE [nondestructive evaluation
International Nuclear Information System (INIS)
Lord, W.
1989-07-01
An understanding of the way in which ultrasound interacts with defects in materials is essential to the development of improved nondestructive testing procedures for the inspection of critical power plant components. Traditionally, the modeling of such phenomena has been approached from an analytical standpoint in which appropriate assumptions are made concerning material properties, geometrical constraints and defect boundaries in order to arrive at closed form solutions. Such assumptions, by their very nature, tend to inhibit the development of complete input/output NDT system models suitable for predicting realistic piezoelectric transducer signals from the interaction of pulsed, finite-aperture ultrasound with arbitrarily shaped defects in the kinds of materials of interest to the utilities. The major thrust of EPRI Project RP 2687-2 is to determine the feasibility of applying finite element analysis techniques to overcome these problems. 85 refs., 64 figs., 3 tabs
Heterogeneous modelling and finite element analysis of the femur
Directory of Open Access Journals (Sweden)
Zhang Binkai
2017-01-01
Full Text Available As the largest and longest bone in the human body, the femur has important research value and application prospects. This paper introduces a fast reconstruction method with Mimics and ANSYS software to realize the heterogeneous modelling of the femur according to Hu distribution of the CT series, and simulates it in various situations by finite element analysis to study the mechanical characteristics of the femur. The femoral heterogeneous model shows the distribution of bone mineral density and material properties, which can be used to assess the diagnosis and treatment of bone diseases. The stress concentration position of the femur under different conditions can be calculated by the simulation, which can provide reference for the design and material selection of prosthesis.
NON-LINEAR FINITE ELEMENT MODELING OF DEEP DRAWING PROCESS
Directory of Open Access Journals (Sweden)
Hasan YILDIZ
2004-03-01
Full Text Available Deep drawing process is one of the main procedures used in different branches of industry. Finding numerical solutions for determination of the mechanical behaviour of this process will save time and money. In die surfaces, which have complex geometries, it is hard to determine the effects of parameters of sheet metal forming. Some of these parameters are wrinkling, tearing, and determination of the flow of the thin sheet metal in the die and thickness change. However, the most difficult one is determination of material properties during plastic deformation. In this study, the effects of all these parameters are analyzed before producing the dies. The explicit non-linear finite element method is chosen to be used in the analysis. The numerical results obtained for non-linear material and contact models are also compared with the experiments. A good agreement between the numerical and the experimental results is obtained. The results obtained for the models are given in detail.
Computational modeling of biodegradable starch based polymer composites
Joshi, Sachin Sudhakar
2007-12-01
Purpose. The goal of this study is to improve the favorable molecular interactions between starch and PPC by addition of grafting monomers MA and ROM as compatibilizers, which would advance the mechanical properties of starch/PPC composites. Methodology. DFT and semi-empirical methods based calculations were performed on three systems: (a) starch/PPC, (b) starch/PPC-MA, and (c) starch-ROM/PPC. Theoretical computations involved the determination of optimal geometries, binding-energies and vibrational frequencies of the blended polymers. Findings. Calculations performed on five starch/PPC composites revealed hydrogen bond formation as the driving force behind stable composite formation, also confirmed by the negative relative energies of the composites indicating the existence of binding forces between the constituent co-polymers. The interaction between starch and PPC is also confirmed by the computed decrease in stretching CO and OH group frequencies participating in hydrogen bond formation, which agree qualitatively with the experimental values. A three-step mechanism of grafting MA on PPC was proposed to improve the compatibility of PPC with starch. Nine types of 'blends' produced by covalent bond formation between starch and MA-grafted PPC were found to be energetically stable, with blends involving MA grafted at the 'B' and 'C' positions of PPC indicating a binding-energy increase of 6.8 and 6.2 kcal/mol, respectively, as compared to the non-grafted starch/PPC composites. A similar increase in binding-energies was also observed for three types of 'composites' formed by hydrogen bond formation between starch and MA-grafted PPC. Next, grafting of ROM on starch and subsequent blend formation with PPC was studied. All four types of blends formed by the reaction of ROM-grafted starch with PPC were found to be more energetically stable as compared to the starch/PPC composite and starch/PPC-MA composites and blends. A blend of PPC and ROM grafted at the '
Polymer property modeling using grid technology for design of structured products
DEFF Research Database (Denmark)
Chelakara Satyanarayana, Kavitha; Gani, Rafiqul; Abildskov, Jens
2007-01-01
Property prediction for a given polymer structure using group contribution models require that the structure can be fully represented by groups with well-defined contributions for that particular property. Frequently this cannot be accomplished. To overcome this limitation a group contribution(+)...
Gnanasekaran, K.; Heijmans, T.; van Bennekom, S.; Woldhuis, H.; Wijnia, S.; de With, G.; Friedrich, H.
2017-01-01
Fused deposition modeling (FDM) is limited by the availability of application specific functional materials. Here we illustrate printing of non-conventional polymer nanocomposites (CNT- and graphene-based polybutylene terephthalate (PBT)) on a commercially available desktop 3D printer leading toward
Modeling CO2 laser ablation impulse of polymers in vapor and plasma regimes
International Nuclear Information System (INIS)
Sinko, John E.; Phipps, Claude R.
2009-01-01
An improved model for CO 2 laser ablation impulse in polyoxymethylene and similar polymers is presented that describes the transition effects from the onset of vaporization to the plasma regime in a continuous fashion. Several predictions are made for ablation behavior.
Micromechanical modeling of the elasto-viscoplastic bahavior of semi-crystalline polymers
Dommelen, van J.A.W.; Parks, D.M.; Boyce, M.C.; Brekelmans, W.A.M.; Baaijens, F.P.T.
2003-01-01
A micromechanically-based constitutive model for the elasto-viscoplastic deformationand texture evolution of semi-crystalline polymers is developed. The modelidealizes the microstructure to consist of an aggregate of two-phase layered compositeinclusions. A new framework for the composite inclusion
DEFF Research Database (Denmark)
Zubov, Alexandr; Sin, Gürkan
2018-01-01
Abstract Poly(L-lactic acid) (PLLA) is a fully biodegradable bioplastic with promising market potential. The paper deals with systematic development and analysis of the modeling framework allowing direct mapping between PLLA production process conditions and rheological properties of the polymer ...
Modeling the Coupled Chemo-Thermo-Mechanical Behavior of Amorphous Polymer Networks.
Energy Technology Data Exchange (ETDEWEB)
Zimmerman, Jonathan A. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Nguyen, Thao D. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Xiao, Rui [Sandia National Lab. (SNL-CA), Livermore, CA (United States)
2015-02-01
Amorphous polymers exhibit a rich landscape of time-dependent behavior including viscoelasticity, structural relaxation, and viscoplasticity. These time-dependent mechanisms can be exploited to achieve shape-memory behavior, which allows the material to store a programmed deformed shape indefinitely and to recover entirely the undeformed shape in response to specific environmental stimulus. The shape-memory performance of amorphous polymers depends on the coordination of multiple physical mechanisms, and considerable opportunities exist to tailor the polymer structure and shape-memory programming procedure to achieve the desired performance. The goal of this project was to use a combination of theoretical, numerical and experimental methods to investigate the effect of shape memory programming, thermo-mechanical properties, and physical and environmental aging on the shape memory performance. Physical and environmental aging occurs during storage and through exposure to solvents, such as water, and can significantly alter the viscoelastic behavior and shape memory behavior of amorphous polymers. This project – executed primarily by Professor Thao Nguyen and Graduate Student Rui Xiao at Johns Hopkins University in support of a DOE/NNSA Presidential Early Career Award in Science and Engineering (PECASE) – developed a theoretical framework for chemothermo- mechanical behavior of amorphous polymers to model the effects of physical aging and solvent-induced environmental factors on their thermoviscoelastic behavior.
Three-Dimensional (3D Printing of Polymer-Metal Hybrid Materials by Fused Deposition Modeling
Directory of Open Access Journals (Sweden)
Susanna Fafenrot
2017-10-01
Full Text Available Fused deposition modeling (FDM is a three-dimensional (3D printing technology that is usually performed with polymers that are molten in a printer nozzle and placed line by line on the printing bed or the previous layer, respectively. Nowadays, hybrid materials combining polymers with functional materials are also commercially available. Especially combinations of polymers with metal particles result in printed objects with interesting optical and mechanical properties. The mechanical properties of objects printed with two of these metal-polymer blends were compared to common poly (lactide acid (PLA printed objects. Tensile tests and bending tests show that hybrid materials mostly containing bronze have significantly reduced mechanical properties. Tensile strengths of the 3D-printed objects were unexpectedly nearly identical with those of the original filaments, indicating sufficient quality of the printing process. Our investigations show that while FDM printing allows for producing objects with mechanical properties similar to the original materials, metal-polymer blends cannot be used for the rapid manufacturing of objects necessitating mechanical strength.
Three-Dimensional (3D) Printing of Polymer-Metal Hybrid Materials by Fused Deposition Modeling.
Fafenrot, Susanna; Grimmelsmann, Nils; Wortmann, Martin; Ehrmann, Andrea
2017-10-19
Fused deposition modeling (FDM) is a three-dimensional (3D) printing technology that is usually performed with polymers that are molten in a printer nozzle and placed line by line on the printing bed or the previous layer, respectively. Nowadays, hybrid materials combining polymers with functional materials are also commercially available. Especially combinations of polymers with metal particles result in printed objects with interesting optical and mechanical properties. The mechanical properties of objects printed with two of these metal-polymer blends were compared to common poly (lactide acid) (PLA) printed objects. Tensile tests and bending tests show that hybrid materials mostly containing bronze have significantly reduced mechanical properties. Tensile strengths of the 3D-printed objects were unexpectedly nearly identical with those of the original filaments, indicating sufficient quality of the printing process. Our investigations show that while FDM printing allows for producing objects with mechanical properties similar to the original materials, metal-polymer blends cannot be used for the rapid manufacturing of objects necessitating mechanical strength.
Customized Finite Element Modelling of the Human Cornea.
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Irene Simonini
Full Text Available To construct patient-specific solid models of human cornea from ocular topographer data, to increase the accuracy of the biomechanical and optical estimate of the changes in refractive power and stress caused by photorefractive keratectomy (PRK.Corneal elevation maps of five human eyes were taken with a rotating Scheimpflug camera combined with a Placido disk before and after refractive surgery. Patient-specific solid models were created and discretized in finite elements to estimate the corneal strain and stress fields in preoperative and postoperative configurations and derive the refractive parameters of the cornea.Patient-specific geometrical models of the cornea allow for the creation of personalized refractive maps at different levels of IOP. Thinned postoperative corneas show a higher stress gradient across the thickness and higher sensitivity of all geometrical and refractive parameters to the fluctuation of the IOP.Patient-specific numerical models of the cornea can provide accurate quantitative information on the refractive properties of the cornea under different levels of IOP and describe the change of the stress state of the cornea due to refractive surgery (PRK. Patient-specific models can be used as indicators of feasibility before performing the surgery.
Calibration under uncertainty for finite element models of masonry monuments
Energy Technology Data Exchange (ETDEWEB)
Atamturktur, Sezer,; Hemez, Francois,; Unal, Cetin
2010-02-01
Historical unreinforced masonry buildings often include features such as load bearing unreinforced masonry vaults and their supporting framework of piers, fill, buttresses, and walls. The masonry vaults of such buildings are among the most vulnerable structural components and certainly among the most challenging to analyze. The versatility of finite element (FE) analyses in incorporating various constitutive laws, as well as practically all geometric configurations, has resulted in the widespread use of the FE method for the analysis of complex unreinforced masonry structures over the last three decades. However, an FE model is only as accurate as its input parameters, and there are two fundamental challenges while defining FE model input parameters: (1) material properties and (2) support conditions. The difficulties in defining these two aspects of the FE model arise from the lack of knowledge in the common engineering understanding of masonry behavior. As a result, engineers are unable to define these FE model input parameters with certainty, and, inevitably, uncertainties are introduced to the FE model.
Design and Modeling of Symmetric Three Branch Polymer Planar Optical Power Dividers
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V. Prajzler
2013-04-01
Full Text Available Two types of polymer-based three-branch symmetric planar optical power dividers (splitters were designed, multimode interference (MMI splitter and triangular shape-spacing splitter. By means of modeling the real structures were simulated as made of Epoxy Novolak Resin on silicon substrate, with silica buffer layer and polymethylmethacrylate as protection cover layer. The design of polymer waveguide structure was done by Beam Propagation Method. After comparing properties of both types of the splitters we have demonstrated that our new polymer based triangular shaped splitter can work simultaneously in broader spectrum, the only condition would be that the waveguides are single-mode guiding. It practically means that, what concerns communication wavelengths, it can on principle simultaneously operate at two mainly used wavelengths, 1310 and 1550 nm.
International Nuclear Information System (INIS)
Guo, Wei; Zhou, Jinxiong; Li, Meie
2013-01-01
Combination of soft active hydrogels with hard passive polymers gives rise to all-polymer composites. The hydrogel is sensitive to external stimuli while the passive polymer is inert. Utilizing the different behaviors of two materials subject to environmental variation, for example temperature, results in self-folding soft machines. We report our efforts to model the programmable deformation of self-folding structures with temperature-sensitive hydrogels. The self-folding structures are realized either by constructing a bilayer structure or by incorporating hydrogels as hinges. The methodology and the results may aid the design, control and fabrication of 3D complex structures from 2D simple configurations through self-assembly. (paper)
Specific heat study of quasi-one-dimensional antiferromagnetic model for an organic polymer chain
International Nuclear Information System (INIS)
Qu Shaohua; Zhu Lin
2008-01-01
The specific heat of an infinite one-dimensional polymer chain bearing periodically arranged side radicals connected to the even sites is studied by means of quantum transfer-matrix method based on a Ising-Heisenberg model. In the absence of the exchange interactions between side radicals and the main chain, the curves of specific heat show a round peak due to the antiferromagnetic excitations for the all antiferromagnetic interactions along the polymer chain. Considering the exchange interactions between the side radicals and the main chain, the curves of the specific heat show double-peak structure for ferromagnetic interactions between the radicals and main chain, indicating that a competition between ferromagnetic and antiferromagnetic interactions and the possibility of the occurrence of the stable ferrimagnetic state along the polymer chain
Statistical mechanics of directed models of polymers in the square lattice
International Nuclear Information System (INIS)
Rensburg, E J Janse van
2003-01-01
Directed square lattice models of polymers and vesicles have received considerable attention in the recent mathematical and physical sciences literature. These are idealized geometric directed lattice models introduced to study phase behaviour in polymers, and include Dyck paths, partially directed paths, directed trees and directed vesicles models. Directed models are closely related to models studied in the combinatorics literature (and are often exactly solvable). They are also simplified versions of a number of statistical mechanics models, including the self-avoiding walk, lattice animals and lattice vesicles. The exchange of approaches and ideas between statistical mechanics and combinatorics have considerably advanced the description and understanding of directed lattice models, and this will be explored in this review. The combinatorial nature of directed lattice path models makes a study using generating function approaches most natural. In contrast, the statistical mechanics approach would introduce partition functions and free energies, and then investigate these using the general framework of critical phenomena. Generating function and statistical mechanics approaches are closely related. For example, questions regarding the limiting free energy may be approached by considering the radius of convergence of a generating function, and the scaling properties of thermodynamic quantities are related to the asymptotic properties of the generating function. In this review the methods for obtaining generating functions and determining free energies in directed lattice path models of linear polymers is presented. These methods include decomposition methods leading to functional recursions, as well as the Temperley method (that is implemented by creating a combinatorial object, one slice at a time). A constant term formulation of the generating function will also be reviewed. The thermodynamic features and critical behaviour in models of directed paths may be
Cellular Automata Modelling of Photo-Induced Oxidation Processes in Molecularly Doped Polymers
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David M. Goldie
2016-11-01
Full Text Available The possibility of employing cellular automata (CA to model photo-induced oxidation processes in molecularly doped polymers is explored. It is demonstrated that the oxidation dynamics generated using CA models exhibit stretched-exponential behavior. This dynamical characteristic is in general agreement with an alternative analysis conducted using standard rate equations provided the molecular doping levels are sufficiently low to prohibit the presence of safe-sites which are impenetrable to dissolved oxygen. The CA models therefore offer the advantage of exploring the effect of dopant agglomeration which is difficult to assess from standard rate equation solutions. The influence of UV-induced bleaching or darkening upon the resulting oxidation dynamics may also be easily incorporated into the CA models and these optical effects are investigated for various photo-oxidation product scenarios. Output from the CA models is evaluated for experimental photo-oxidation data obtained from a series of hydrazone-doped polymers.
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V. A. Zverev
2016-01-01
Full Text Available The article objective is to justify the rationale for selecting the multilayer finite element model parameters of the bearing structure of a general-purpose launch complex unit.A typical design element of the launch complex unit, i.e. a mount of the hydraulic or pneumatic cylinder, block, etc. is under consideration. The mount represents a set of the cantilevered axis and external structural cage. The most loaded element of the cage is disk to which a moment is transferred from the cantilevered axis due to actuator effort acting on it.To calculate the stress-strain state of disk was used a finite element method. Five models of disk mount were created. The only difference in models was the number of layers of the finite elements through the thickness of disk. There were models, which had one, three, five, eight, and fourteen layers of finite elements through the thickness of disk. For each model, we calculated the equivalent stresses arising from the action of the test load. Disk models were formed and calculated using the MSC Nastran complex software.The article presents results in the table to show data of equivalent stresses in each of the multi-layered models and graphically to illustrate the changing equivalent stresses through the thickness of disk.Based on these results we have given advice on selecting the proper number of layers in the model allowing a desirable accuracy of results with the lowest run time. In addition, it is concluded that there is a need to use the multi-layer models in assessing the performance of structural elements in case the stress exceeds the allowable one in their surface layers.
Finite Element Analysis of Patella Alta: A Patellofemoral Instability Model.
Watson, Nicole A; Duchman, Kyle R; Grosland, Nicole M; Bollier, Matthew J
2017-01-01
This study aims to provide biomechanical data on the effect of patella height in the setting of medial patellofemoral ligament (MPFL) reconstruction using finite element analysis. The study will also examine patellofemoral joint biomechanics using variable femoral insertion sites for MPFL reconstruction. A previously validated finite element knee model was modified to study patella alta and baja by translating the patella a given distance to achieve each patella height ratio. Additionally, the models were modified to study various femoral insertion sites of the MPFL (anatomic, anterior, proximal, and distal) for each patella height model, resulting in 32 unique scenarios available for investigation. In the setting of patella alta, the patellofemoral contact area decreased, resulting in a subsequent increase in maximum patellofemoral contact pressures as compared to the scenarios with normal patellar height. Additionally, patella alta resulted in decreased lateral restraining forces in the native knee scenario as well as following MPFL reconstruction. Changing femoral insertion sites had a variable effect on patellofemoral contact pressures; however, distal and anterior femoral tunnel malpositioning in the setting of patella alta resulted in grossly elevated maximum patellofemoral contact pressures as compared to other scenarios. Patella alta after MPFL reconstruction results in decreased lateral restraining forces and patellofemoral contact area and increased maximum patellofemoral contact pressures. When the femoral MPFL tunnel is malpositioned anteriorly or distally on the femur, the maximum patellofemoral contact pressures increase with severity of patella alta. When evaluating patients with patellofemoral instability, it is important to recognize patella alta as a potential aggravating factor. Failure to address patella alta in the setting of MPFL femoral tunnel malposition may result in even further increases in patellofemoral contact pressures, making it
Evaluation of radiation damping using 3-D finite element models
International Nuclear Information System (INIS)
Vaughan, D.K.; Isenberg, J.
1983-01-01
The paper presents an analytic approach which is being used to quantify the contribution of radiation damping to overall system damping. The approach uses three-dimensional finite element techniques and can easily include details of site geology, foundation shape, and embedment depth. The approach involves performing free vibration response analyses for each soil-structure interaction (SSI) mode of interest. The structural model is specified without damping and, consequently, amplitude decay of the structure's free vibration response is a measure of the radiation damping characteristics of the soil-structure system for the particular deformational mode being investigated. The computational approach developed is highly efficient in order to minimize the impact of including three-dimensional geometry within the model. A new finite element code, FLEX, has been developed to represent the soil continuum. FLEX uses a highly optimized explicit time integration algorithm which takes advantage of parallel processing on vector machines, such as the CRAY 1 computer. A modal representation of the superstructure is used in combination with a substructuring approach to solve for the coupled response of the soil-structure system. This requires solving for numerical Green's functions for each degree-of-freedom of the foundation (assumed rigid). Once computed for a particular site and foundation, these Green's functions may be used within a convolution integral to represent the continuum forces on the foundation for any free vibration SSI response computation of any superstructure model. This analytic approach is applied to an investigation of the radiation damping coefficients for the first two fundamental SSI modes of the HDR containment structure. (orig./HP)
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Huan ZHAO
2015-06-01
Full Text Available The second tertiary combined model is applied to develop the second and third type reservoirs which have more oil layer quantity and strong anisotropism, compared to the regular main reservoir with polymer injection, whose seepage characteristics of polymer-injection-after-water-drive shows a remarkable difference, in addition. This development appears to have a larger effect on the remaining oil development and production. Simulating the second tertiary combined model by reservoir numerical simulation under different polymer molecular weight, polymer concentration, polymer injection rate on the polymer injection period, conclusions of the influenced seepage characteristics of original and added perforated interval pressure and water saturation are drawn. The conclusion shows that the polymer molecular weight could influence water saturation of added perforated interval; polymer concentration makes a significant impact on reservoir pressure; polymer injection rate has a great influence on the separate rate of original and added perforated interval. This research provides firm science evidence to the theory of the second tertiary combined model to develop and enhance oil injection-production rate.
Shil'ko, S. V.; Gavrilenko, S. L.; Panin, S. V.; Alexenko, V. O.
2017-12-01
A method for determining rheological parameters of the Prony model describing the process of viscoelastic deformation of a material was developed based on the results of dynamic mechanical analysis. For the approbation of the method, static (uniaxial tension) and dynamic (three-point bending) mechanical tests of polymer composites were carried out. Based on the analytical dependence of the storage modulus on the parameters of the Prony model, the parameters of the shear function are determined. The results of the static and dynamic analysis are in good agreement. The proposed technique allows us to accelerate the determination of rheological parameters of polymer materials and recommend it to the calculation of the stress-strain state of structural elements and friction joints during their long operation at elevated temperature.
Finite Element Modeling of the Posterior Eye in Microgravity
Feola, Andrew; Raykin, Julia; Mulugeta, Lealem; Gleason, Rudolph; Myers, Jerry G.; Nelson, Emily S.; Samuels, Brian; Ethier, C. Ross
2015-01-01
Microgravity experienced during spaceflight affects astronauts in various ways, including weakened muscles and loss of bone density. Recently, visual impairment and intracranial pressure (VIIP) syndrome has become a major concern for space missions lasting longer than 30 days. Astronauts suffering from VIIP syndrome have changes in ocular anatomical and visual impairment that persist after returning to earth. It is hypothesized that a cephalad fluid shift in microgravity may increase the intracranial pressure (ICP), which leads to an altered biomechanical environment of the posterior globe and optic nerve sheath (ONS).Currently, there is a lack of knowledge of how elevated ICP may lead to vision impairment and connective tissue changes in VIIP. Our goal was to develop a finite element model to simulate the acute effects of elevated ICP on the posterior eye and optic nerve sheath. We used a finite element (FE) analysis approach to understand the response of the lamina cribrosa and optic nerve to the elevations in ICP thought to occur in microgravity and to identify which tissue components have the greatest impact on strain experienced by optic nerve head tissues.
Constitutive model for a stress- and thermal-induced phase transition in a shape memory polymer
International Nuclear Information System (INIS)
Guo, Xiaogang; Liu, Liwu; Liu, Yanju; Zhou, Bo; Leng, Jinsong
2014-01-01
Recently, increasing applications of shape memory polymers have pushed forward the development of appropriate constitutive models for smart materials such as the shape memory polymer. During the heating process, the phase transition, which is a continuous time-dependent process, happens in the shape memory polymer, and various individual phases will form at different configuration temperatures. In addition, these phases can generally be divided into two parts: the frozen and active phase (Liu Y et al 2006 Int. J. Plast. 22 279–313). During the heating or cooling process, the strain will be stored or released with the occurring phase transition between these two parts. Therefore, a shape memory effect emerges. In this paper, a new type of model was developed to characterize the variation of the volume fraction in a shape memory polymer during the phase transition. In addition to the temperature variation, the applied stress was also taken as a significant influence factor on the phase transition. Based on the experimental results, an exponential equation was proposed to describe the relationship between the stress and phase transition temperature. For the sake of describing the mechanical behaviors of the shape memory polymer, a three-dimensional constitutive model was established. Also, the storage strain, which was the key factor of the shape memory effect, was also discussed in detail. Similar to previous works, we first explored the effect of applied stress on storage strain. Through comparisons with the DMA and the creep experimental results, the rationality and accuracy of the new phase transition and constitutive model were finally verified. (paper)
Pulungan, Ditho Ardiansyah; Yudhanto, Arief; Goutham, Shiva; Lubineau, Gilles; Yaldiz, Recep; Schijve, Warden
2018-01-01
Polymers in general exhibit pressure- and rate-dependent behavior. Modeling such behavior requires extensive, costly and time-consuming experimental work. Common simplifications may lead to severe inaccuracy when using the model for predicting
Modelling the short-circuit current of polymer bulk heterojunction solar cells
International Nuclear Information System (INIS)
Geens, Wim; Martens, Tom; Poortmans, Jef; Aernouts, Tom; Manca, Jean; Lutsen, Laurence; Heremans, Paul; Borghs, Staf; Mertens, Robert; Vanderzande, Dirk
2004-01-01
An analytical model has been developed to estimate the short-circuit current density of conjugated polymer/fullerene bulk heterojunction solar cells. The model takes into account the solvent-dependent molecular morphology of the donor/acceptor blend, which was revealed by transmission electron microscopy. Field-effect transistors based on single and composite organic layers were fabricated to determine values for the charge carrier mobilities of such films. These values served as input parameters of the model. It is shown that the difference in short-circuit current density that was measured between toluene-cast and chlorobenzene-cast conjugated polymer/fullerene photovoltaic cells (Appl. Phys. Lett. 78 (2001) 841) could be very well simulated with the model. Moreover, the calculations illustrate how increasing the hole and electron mobilities in the photoactive blend can improve the overall short-circuit current density of the solar cell
Finite element modelling of cornea mechanics: a review
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Talisa Mohammad Nejad
2014-01-01
Full Text Available The cornea is a transparent tissue in front of the eye that refracts light and facilitates vision. A slight change in the geometry of the cornea remarkably affects the optical power. Because of this sensitivity, biomechanical study of the cornea can reveal much about its performance and function. In vivo and in vitro studies have been conducted to investigate the mechanics of the cornea and determine its characteristics. Numerical techniques such as the finite element method (FEM have been extensively implemented as effective and noninvasive methods for analyzing corneal mechanics and possible disorders. This article reviews the use of FEM for assessing the mechanical behavior of the cornea. Different applications of FEM in corneal disease studies, surgical predictions, impact simulations, and clinical applications have been reviewed. Some suggestions for the future of this type of modeling in the area of corneal mechanics are also discussed.
Modelling the Implications of Quality Management Elements on Strategic Flexibility
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Ana Belén Escrig-Tena
2011-01-01
Full Text Available This paper presents a theoretical and empirical analysis of the implications of a quality management (QM initiative on strategic flexibility. Our study defines flexibility from a strategic approach and examines the extent to which, why, and how the triggering factors of strategic flexibility are related to QM elements. The hypotheses put forward are tested in an empirical study carried out on a sample of Spanish firms, using structural equation models. The results demonstrate the positive effect of adopting an integral QM initiative on enhancing strategic flexibility. QM enhances strategic flexibility more effectively when it is introduced comprehensively rather than in a piecemeal fashion. A series of practices linked to the application of a QM initiative are outlined, which managers can use to improve strategic flexibility. The approach used in the study can be applied to analyse other antecedents of flexibility and to propose possible studies that consider QM as an antecedent of other organisational variables.
Determining Trajectory of Triboelectrically Charged Particles, Using Discrete Element Modeling
2008-01-01
The Kennedy Space Center (KSC) Electrostatics and Surface Physics Laboratory is participating in an Innovative Partnership Program (IPP) project with an industry partner to modify a commercial off-the-shelf simulation software product to treat the electrodynamics of particulate systems. Discrete element modeling (DEM) is a numerical technique that can track the dynamics of particle systems. This technique, which was introduced in 1979 for analysis of rock mechanics, was recently refined to include the contact force interaction of particles with arbitrary surfaces and moving machinery. In our work, we endeavor to incorporate electrostatic forces into the DEM calculations to enhance the fidelity of the software and its applicability to (1) particle processes, such as electrophotography, that are greatly affected by electrostatic forces, (2) grain and dust transport, and (3) the study of lunar and Martian regoliths.
Modeling the behavior of optical elements in radiation environments
International Nuclear Information System (INIS)
Barlow, T.A.; Rhoades, C.E. Jr.; Merker, M.; Triplett, J.R.
1986-01-01
Calculation of heating caused by the deposition of x-rays in thin film optical elements is complicated because the mean free path of photo and autoionization electrons is comparable to the thin film thickness and thus the electron deposition cannot be considered local. This paper describes the modeling in a 1-D code of: (a) x-ray deposition and transport; (b) electron production, deposition and transport; and (c) thermal conduction and transport. X-ray transport is handled by multigroup discrete ordinates, electron transport is done by the method of characteristics, applied to the two term spherical harmonics expansion approximation (P1) to the Spencer-Lewis transport equation, and thermal transport is computed by a simple Richardson extrapolation of a backward Euler solution to the heat conduction equations. Results of a few test cases are presented. 8 refs., 26 figs., 2 tabs
Contribution to finite element modelling of airfoil aeroelastic instabilities
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Horáček J.
2007-10-01
Full Text Available Nonlinear equations of motion for a flexibly supported rigid airfoil with additional degree of freedom for controlling of the profile motion by a trailing edge flap are derived for large vibration amplitudes. Preliminary results for numerical simulation of flow-induced airfoil vibrations in a laminar incompressible flow are presented for the NACA profile 0012 with three-degrees of freedom (vertical translation, rotation around the elastic axis and rotation of the flap. The developed numerical solution of the Navier – Stokes equations and the Arbitrary Eulerian-Lagrangian approach enable to consider the moving grid for the finite element modelling of the fluid flow around the oscillating airfoil. A sequence of numerical simulation examples is presented for Reynolds numbers up to about Re~10^5, when the system loses the aeroelastic stability, and when the large displacements of the profile and a post-critical behaviour of the system take place.
Finite-element modeling of soft tissue rolling indentation.
Sangpradit, Kiattisak; Liu, Hongbin; Dasgupta, Prokar; Althoefer, Kaspar; Seneviratne, Lakmal D
2011-12-01
We describe a finite-element (FE) model for simulating wheel-rolling tissue deformations using a rolling FE model (RFEM). A wheeled probe performing rolling tissue indentation has proven to be a promising approach for compensating for the loss of haptic and tactile feedback experienced during robotic-assisted minimally invasive surgery (H. Liu, D. P. Noonan, B. J. Challacombe, P. Dasgupta, L. D. Seneviratne, and K. Althoefer, "Rolling mechanical imaging for tissue abnormality localization during minimally invasive surgery, " IEEE Trans. Biomed. Eng., vol. 57, no. 2, pp. 404-414, Feb. 2010; K. Sangpradit, H. Liu, L. Seneviratne, and K. Althoefer, "Tissue identification using inverse finite element analysis of rolling indentation," in Proc. IEEE Int. Conf. Robot. Autom. , Kobe, Japan, 2009, pp. 1250-1255; H. Liu, D. Noonan, K. Althoefer, and L. Seneviratne, "The rolling approach for soft tissue modeling and mechanical imaging during robot-assisted minimally invasive surgery," in Proc. IEEE Int. Conf. Robot. Autom., May 2008, pp. 845-850; H. Liu, P. Puangmali, D. Zbyszewski, O. Elhage, P. Dasgupta, J. S. Dai, L. Seneviratne, and K. Althoefer, "An indentation depth-force sensing wheeled probe for abnormality identification during minimally invasive surgery," Proc. Inst. Mech. Eng., H, vol. 224, no. 6, pp. 751-63, 2010; D. Noonan, H. Liu, Y. Zweiri, K. Althoefer, and L. Seneviratne, "A dual-function wheeled probe for tissue viscoelastic property identification during minimally invasive surgery," in Proc. IEEE Int. Conf. Robot. Autom. , 2008, pp. 2629-2634; H. Liu, J. Li, Q. I. Poon, L. D. Seneviratne, and K. Althoefer, "Miniaturized force indentation-depth sensor for tissue abnormality identification," IEEE Int. Conf. Robot. Autom., May 2010, pp. 3654-3659). A sound understanding of wheel-tissue rolling interaction dynamics will facilitate the evaluation of signals from rolling indentation. In this paper, we model the dynamic interactions between a wheeled probe and a
Model of lifetime prediction - Study of the behaviour of polymers and organic matrix composites
International Nuclear Information System (INIS)
Colin, X.
2009-01-01
The team 'Aging of Organic Materials' of the Process and Engineering Laboratory in Mechanics and Materials (Arts et Metiers, ParisTech) has developed the model of lifetime prediction for the prediction of the behaviour of polymers and organic composites. This model has already given evidence of a real predictive mean for various industrial applications, as for instance the prediction of a rupture under the coupled effect of a mechanical load and a chemical degradation. (O.M.)
Improved model for the angular dependence of excimer laser ablation rates in polymer materials
Pedder, J. E. A.; Holmes, A. S.; Dyer, P. E.
2009-10-01
Measurements of the angle-dependent ablation rates of polymers that have applications in microdevice fabrication are reported. A simple model based on Beer's law, including plume absorption, is shown to give good agreement with the experimental findings for polycarbonate and SU8, ablated using the 193 and 248 nm excimer lasers, respectively. The modeling forms a useful tool for designing masks needed to fabricate complex surface relief by ablation.
3D finite element modeling of sliding wear
Buentello Hernandez, Rodolfo G.
Wear is defined as "the removal of material volume through some mechanical process between two surfaces". There are many mechanical situations that can induce wear and each can involve many wear mechanisms. This research focuses on the mechanical wear due to dry sliding between two surfaces. Currently there is a need to identify and compare materials that would endure sliding wear under severe conditions such as high velocities. The high costs associated with the field experimentation of systems subject to high-speed sliding, has prevented the collection of the necessary data required to fully characterize this phenomena. Simulating wear through Finite Elements (FE) would enable its prediction under different scenarios and would reduce experimentation costs. In the aerospace, automotive and weapon industries such a model can aid in material selection, design and/or testing of systems subjected to wear in bearings, gears, brakes, gun barrels, slippers, locomotive wheels, or even rocket test tracks. The 3D wear model presented in this dissertation allows one to reasonably predict high-speed sliding mechanical wear between two materials. The model predictions are reasonable, when compared against those measured on a sled slipper traveling over the Holloman High Speed Tests Track. This slipper traveled a distance of 5,816 meters in 8.14 seconds and reached a maximum velocity of 1,530 m/s.
Multiphase poroelastic finite element models for soft tissue structures
International Nuclear Information System (INIS)
Simon, B.R.
1992-01-01
During the last two decades, biological structures with soft tissue components have been modeled using poroelastic or mixture-based constitutive laws, i.e., the material is viewed as a deformable (porous) solid matrix that is saturated by mobile tissue fluid. These structures exhibit a highly nonlinear, history-dependent material behavior; undergo finite strains; and may swell or shrink when tissue ionic concentrations are altered. Give the geometric and material complexity of soft tissue structures and that they are subjected to complicated initial and boundary conditions, finite element models (FEMs) have been very useful for quantitative structural analyses. This paper surveys recent applications of poroelastic and mixture-based theories and the associated FEMs for the study of the biomechanics of soft tissues, and indicates future directions for research in this area. Equivalent finite-strain poroelastic and mixture continuum biomechanical models are presented. Special attention is given to the identification of material properties using a porohyperelastic constitutive law ans a total Lagrangian view for the formulation. The associated FEMs are then formulated to include this porohyperelastic material response and finite strains. Extensions of the theory are suggested in order to include inherent viscoelasticity, transport phenomena, and swelling in soft tissue structures. A number of biomechanical research areas are identified, and possible applications of the porohyperelastic and mixture-based FEMs are suggested. 62 refs., 11 figs., 3 tabs
Finite element modeling of superelastic nickel-titanium orthodontic wires.
Naceur, Ines Ben; Charfi, Amin; Bouraoui, Tarak; Elleuch, Khaled
2014-11-28
Thanks to its good corrosion resistance and biocompatibility, superelastic Ni–Ti wire alloys have been successfully used in orthodontic treatment. Therefore, it is important to quantify and evaluate the level of orthodontic force applied to the bracket and teeth in order to achieve tooth movement. In this study, three dimensional finite element models with a Gibbs-potential-based-formulation and thermodynamic principles were used. The aim was to evaluate the influence of possible intraoral temperature differences on the forces exerted by NiTi orthodontic arch wires with different cross sectional shapes and sizes. The prediction made by this phenomenological model, for superelastic tensile and bending tests, shows good agreement with the experimental data. A bending test is simulated to study the force variation of an orthodontic NiTi arch wire when it loaded up to the deflection of 3 mm, for this task one half of the arch wire and the 3 adjacent brackets were modeled. The results showed that the stress required for the martensite transformation increases with the increase of cross-sectional dimensions and temperature. Associated with this increase in stress, the plateau of this transformation becomes steeper. In addition, the area of the mechanical hysteresis, measured as the difference between the forces of the upper and lower plateau, increases.
Directory of Open Access Journals (Sweden)
Juan Wang
2017-11-01
Full Text Available Understanding diffusion of intrinsically disordered proteins (IDPs under crowded environments is of ubiquitous importance to modelling related dynamics in biological systems. In the present work, we proposed a theoretical framework to study the diffusion behavior of IDPs in polymer solutions. IDP is modeled as an ensemble of particles with a wide range of gyration radius subject to Flory-Fisk distribution, where the collapse effect which leads to the shrink of IDP due to polymer crowding is included. The diffusion coefficient of IDP is calculated as the average, denoted by 〈D〉, over the values of the particle samples. By properly incorporating the scaling relations for diffusion coefficient of nanoparticle (NP in polymer solutions, we are able to evaluate 〈D〉 straightforwardly and reveal the disorder and collapse effects on IDP’s diffusion in an explicit manner. Particular attentions are paid on comparison between the diffusion coefficient of an IDP and that of a NP. Results demonstrate that both disorder and collapse can enhance IDP diffusion rate. Our analysis shows that the crossover behavior reported by experiments can be actually a general phenomenon, namely, while a NP with smaller size than that of an IDP diffuses faster in simple solutions, the IDP may become the faster one under crowded conditions. We apply our theory to analyze the diffusion of several types of IDP in a few different polymer solutions. Good agreements between the theoretical results and the experimental data are obtained.
Modeling and control of a self-sensing polymer metal composite actuator
International Nuclear Information System (INIS)
Nam, Doan Ngoc Chi; Ahn, Kyoung Kwan
2014-01-01
An ion polymer metal composite (IPMC) is an electro-active polymer (EAP) that bends in response to a small applied electrical field as a result of mobility of cations in the polymer network and vice versa. One drawback in the use of an IPMC is the sensing problem for such a small size actuator. The aim of this paper is to develop a physical model for a self-sensing IPMC actuator and to verify its applicability for practical position control. Firstly, ion dynamics inside a polymer membrane is investigated with an asymmetric solution in the presence of distributed surface resistance. Based on this analysis, a modified equivalent circuit and a simple configuration to realize the self-sensing IPMC actuator are proposed. Mathematical modelling and experimental evaluation indicate that the bending curvature can be obtained accurately using several feedback voltage signals along with the IPMC length. Finally, the controllability of the developed self-sensing IPMC actuator is investigated using a robust position control. Experimental results prove that the self-sensing characteristics can be applied in engineering control problems to provide a more convenient sensing method for IPMC actuating systems. (paper)
A directed walk model of a long chain polymer in a slit with attractive walls
International Nuclear Information System (INIS)
Brak, R; Owczarek, A L; Rechnitzer, A; Whittington, S G
2005-01-01
We present the exact solutions of various directed walk models of polymers confined to a slit and interacting with the walls of the slit via an attractive potential. We consider three geometric constraints on the ends of the polymer and concentrate on the long chain limit. Apart from the general interest in the effect of geometrical confinement, this can be viewed as a two-dimensional model of steric stabilization and sensitized flocculation of colloidal dispersions. We demonstrate that the large width limit admits a phase diagram that is markedly different from the one found in a half-plane geometry, even when the polymer is constrained to be fixed at both ends on one wall. We are not able to find a closed form solution for the free energy for finite width, at all values of the interaction parameters, but we can calculate the asymptotic behaviour for large widths everywhere in the phase plane. This allows us to find the force between the walls induced by the polymer and hence the regions of the plane where either steric stabilization or sensitized flocculation would occur
Experimental Characterization and Modeling of Advanced Polymer Composite Window Frames
DEFF Research Database (Denmark)
Zajas, Jan Jakub
Even though the window frames cover a relatively small fraction of the entire building envelope, they are responsible for a major amount of heat loss, due to their poor insulation properties compared to the other envelope elements. With the current trends to reduce energy use in buildings....... Heat transfer through a frame is a combination of conduction, convection and radiation and each of these mechanisms of heat transfer can be diminished in certain ways. An example could be subdividing the cavities to reduce convective heat flow or using low emissivity materials to limit the thermal......, it is obvious that the thermal performance of contemporary frames needs to be improved, so that buildings can fulfill the new, more rigorous demands. This study will focus on improving the thermal performance of window frames made of fiberglass reinforced plastic (FRP). This material has been recently...
Finite element modelling of vocal tract changes after voice therapy
Directory of Open Access Journals (Sweden)
Vampola T.
2011-06-01
Full Text Available Two 3D finite element (FE models were constructed, based on CT measurements of a subject phonating on [a:] before and after phonation into a tube. Acoustic analysis was performed by exciting the models with acoustic flow velocity at the vocal folds. The generated acoustic pressure of the response was computed in front of the mouth and inside the vocal tract for both FE models. Average amplitudes of the pressure oscillations inside the vocal tract and in front of the mouth were compared to display the cost-efficiency of sound energy transfer at different formant frequencies. The formants F1–F3 correspond to classical vibration modes also solvable by 1D vocal tract model. However, for higher formants, there occur more complicated transversal modes which require 3D modelling. A special attention is given to the higher frequency range (above 3.5 Hz where transversal modes exist between piriform sinuses and valleculae. Comparison of the pressure oscillation inside and outside the vocal tract showed that formants differ in their efficiency, F4 (at about 3.5 kHz, i.e. at the speaker’s or singer’s formant region being the most effective. The higher formants created a clear formant cluster around 4 kHz after the vocal exercise with the tube. Since the human ear is most sensitive to frequencies between 2 and 4 kHz concentration of sound energy in this frequency region (F4–F5 is effective for communication. The results suggest that exercising using phonation into tubes help in improving the vocal economy.
Finite-element solidification modelling of metals and binary alloys
International Nuclear Information System (INIS)
Mathew, P.M.
1986-12-01
In the Canadian Nuclear Fuel Waste Management Program, cast metals and alloys are being evaluated for their ability to support a metallic fuel waste container shell under disposal vault conditions and to determine their performance as an additional barrier to radionuclide release. These materials would be cast to fill residual free space inside the container and allowed to solidify without major voids. To model their solidification characteristics following casting, a finite-element model, FAXMOD-3, was adopted. Input parameters were modified to account for the latent heat of fusion of the metals and alloys considered. This report describes the development of the solidification model and its theoretical verification. To model the solidification of pure metals and alloys that melt at a distinct temperature, the latent heat of fusion was incorporated as a double-ramp function in the specific heat-temperature relationship, within an interval of +- 1 K around the solidification temperature. Comparison of calculated results for lead, tin and lead-tin eutectic melts, unidirectionally cooled with and without superheat, showed good agreement with an alternative technique called the integral profile method. To model the solidification of alloys that melt over a temperature interval, the fraction of solid in the solid-liquid region, as calculated from the Scheil equation, was used to determine the fraction of latent heat to be liberated over a temperature interval within the solid-liquid zone. Comparison of calculated results for unidirectionally cooled aluminum-4 wt.% copper melt, with and without superheat, showed good agreement with alternative finite-difference techniques
Fridgeirsdottir, Gudrun A; Harris, Robert J; Dryden, Ian L; Fischer, Peter M; Roberts, Clive J
2018-03-29
Solid dispersions can be a successful way to enhance the bioavailability of poorly soluble drugs. Here 60 solid dispersion formulations were produced using ten chemically diverse, neutral, poorly soluble drugs, three commonly used polymers, and two manufacturing techniques, spray-drying and melt extrusion. Each formulation underwent a six-month stability study at accelerated conditions, 40 °C and 75% relative humidity (RH). Significant differences in times to crystallization (onset of crystallization) were observed between both the different polymers and the two processing methods. Stability from zero days to over one year was observed. The extensive experimental data set obtained from this stability study was used to build multiple linear regression models to correlate physicochemical properties of the active pharmaceutical ingredients (API) with the stability data. The purpose of these models is to indicate which combination of processing method and polymer carrier is most likely to give a stable solid dispersion. Six quantitative mathematical multiple linear regression-based models were produced based on selection of the most influential independent physical and chemical parameters from a set of 33 possible factors, one model for each combination of polymer and processing method, with good predictability of stability. Three general rules are proposed from these models for the formulation development of suitably stable solid dispersions. Namely, increased stability is correlated with increased glass transition temperature ( T g ) of solid dispersions, as well as decreased number of H-bond donors and increased molecular flexibility (such as rotatable bonds and ring count) of the drug molecule.
Hadron matrix elements of quark operators in the relativistic quark model, 2. Model calculation
Energy Technology Data Exchange (ETDEWEB)
Arisue, H; Bando, M; Toya, M [Kyoto Univ. (Japan). Dept. of Physics; Sugimoto, H
1979-11-01
Phenomenological studies of the matrix elements of two- and four-quark operators are made on the basis of relativistic independent quark model for typical three cases of the potentials: rigid wall, linearly rising and Coulomb-like potentials. The values of the matrix elements of two-quark operators are relatively well reproduced in each case, but those of four-quark operators prove to be too small in the independent particle treatment. It is suggested that the short-range two-quark correlations must be taken into account in order to improve the values of the matrix elements of the four-quark operators.
Directory of Open Access Journals (Sweden)
Liu Qimao
2018-02-01
Full Text Available This paper proposes an assumption that the fibre is elastic material and polymer matrix is viscoelastic material so that the energy dissipation depends only on the polymer matrix in dynamic response process. The damping force vectors in frequency and time domains, of FRP (Fibre-Reinforced Polymer matrix laminated composite plates, are derived based on this assumption. The governing equations of FRP laminated composite plates are formulated in both frequency and time domains. The direct inversion method and direct time integration method for nonviscously damped systems are employed to solve the governing equations and achieve the dynamic responses in frequency and time domains, respectively. The computational procedure is given in detail. Finally, dynamic responses (frequency responses with nonzero and zero initial conditions, free vibration, forced vibrations with nonzero and zero initial conditions of a FRP laminated composite plate are computed using the proposed methodology. The proposed methodology in this paper is easy to be inserted into the commercial finite element analysis software. The proposed assumption, based on the theory of material mechanics, needs to be further proved by experiment technique in the future.
Liu, Qimao
2018-02-01
This paper proposes an assumption that the fibre is elastic material and polymer matrix is viscoelastic material so that the energy dissipation depends only on the polymer matrix in dynamic response process. The damping force vectors in frequency and time domains, of FRP (Fibre-Reinforced Polymer matrix) laminated composite plates, are derived based on this assumption. The governing equations of FRP laminated composite plates are formulated in both frequency and time domains. The direct inversion method and direct time integration method for nonviscously damped systems are employed to solve the governing equations and achieve the dynamic responses in frequency and time domains, respectively. The computational procedure is given in detail. Finally, dynamic responses (frequency responses with nonzero and zero initial conditions, free vibration, forced vibrations with nonzero and zero initial conditions) of a FRP laminated composite plate are computed using the proposed methodology. The proposed methodology in this paper is easy to be inserted into the commercial finite element analysis software. The proposed assumption, based on the theory of material mechanics, needs to be further proved by experiment technique in the future.
Modeling and simulation of surfactant-polymer flooding using a new hybrid method
Daripa, Prabir; Dutta, Sourav
2017-04-01
Chemical enhanced oil recovery by surfactant-polymer (SP) flooding has been studied in two space dimensions. A new global pressure for incompressible, immiscible, multicomponent two-phase porous media flow has been derived in the context of SP flooding. This has been used to formulate a system of flow equations that incorporates the effect of capillary pressure and also the effect of polymer and surfactant on viscosity, interfacial tension and relative permeabilities of the two phases. The coupled system of equations for pressure, water saturation, polymer concentration and surfactant concentration has been solved using a new hybrid method in which the elliptic global pressure equation is solved using a discontinuous finite element method and the transport equations for water saturation and concentrations of the components are solved by a Modified Method Of Characteristics (MMOC) in the multicomponent setting. Numerical simulations have been performed to validate the method, both qualitatively and quantitatively, and to evaluate the relative performance of the various flooding schemes for several different heterogeneous reservoirs.
Particle-in-a-box model of one-dimensional excitons in conjugated polymers
Pedersen, Thomas G.; Johansen, Per M.; Pedersen, Henrik C.
2000-04-01
A simple two-particle model of excitons in conjugated polymers is proposed as an alternative to usual highly computationally demanding quantum chemical methods. In the two-particle model, the exciton is described as an electron-hole pair interacting via Coulomb forces and confined to the polymer backbone by rigid walls. Furthermore, by integrating out the transverse part, the two-particle equation is reduced to one-dimensional form. It is demonstrated how essentially exact solutions are obtained in the cases of short and long conjugation length, respectively. From a linear combination of these cases an approximate solution for the general case is obtained. As an application of the model the influence of a static electric field on the electron-hole overlap integral and exciton energy is considered.
Real time polymer nanocomposites-based physical nanosensors: theory and modeling
Bellucci, Stefano; Shunin, Yuri; Gopeyenko, Victor; Lobanova-Shunina, Tamara; Burlutskaya, Nataly; Zhukovskii, Yuri
2017-09-01
Functionalized carbon nanotubes and graphene nanoribbons nanostructures, serving as the basis for the creation of physical pressure and temperature nanosensors, are considered as tools for ecological monitoring and medical applications. Fragments of nanocarbon inclusions with different morphologies, presenting a disordered system, are regarded as models for nanocomposite materials based on carbon nanoсluster suspension in dielectric polymer environments (e.g., epoxy resins). We have formulated the approach of conductivity calculations for carbon-based polymer nanocomposites using the effective media cluster approach, disordered systems theory and conductivity mechanisms analysis, and obtained the calibration dependences. Providing a proper description of electric responses in nanosensoring systems, we demonstrate the implementation of advanced simulation models suitable for real time control nanosystems. We also consider the prospects and prototypes of the proposed physical nanosensor models providing the comparisons with experimental calibration dependences.
A finite element model for protein transport in vivo
Directory of Open Access Journals (Sweden)
Montas Hubert J
2007-06-01
Full Text Available Abstract Background Biological mass transport processes determine the behavior and function of cells, regulate interactions between synthetic agents and recipient targets, and are key elements in the design and use of biosensors. Accurately predicting the outcomes of such processes is crucial to both enhancing our understanding of how these systems function, enabling the design of effective strategies to control their function, and verifying that engineered solutions perform according to plan. Methods A Galerkin-based finite element model was developed and implemented to solve a system of two coupled partial differential equations governing biomolecule transport and reaction in live cells. The simulator was coupled, in the framework of an inverse modeling strategy, with an optimization algorithm and an experimental time series, obtained by the Fluorescence Recovery after Photobleaching (FRAP technique, to estimate biomolecule mass transport and reaction rate parameters. In the inverse algorithm, an adaptive method was implemented to calculate sensitivity matrix. A multi-criteria termination rule was developed to stop the inverse code at the solution. The applicability of the model was illustrated by simulating the mobility and binding of GFP-tagged glucocorticoid receptor in the nucleoplasm of mouse adenocarcinoma. Results The numerical simulator shows excellent agreement with the analytic solutions and experimental FRAP data. Detailed residual analysis indicates that residuals have zero mean and constant variance and are normally distributed and uncorrelated. Therefore, the necessary and sufficient criteria for least square parameter optimization, which was used in this study, were met. Conclusion The developed strategy is an efficient approach to extract as much physiochemical information from the FRAP protocol as possible. Well-posedness analysis of the inverse problem, however, indicates that the FRAP protocol provides insufficient
Bioresorbable polymer coated drug eluting stent: a model study.
Rossi, Filippo; Casalini, Tommaso; Raffa, Edoardo; Masi, Maurizio; Perale, Giuseppe
2012-07-02
In drug eluting stent technologies, an increased demand for better control, higher reliability, and enhanced performances of drug delivery systems emerged in the last years and thus offered the opportunity to introduce model-based approaches aimed to overcome the remarkable limits of trial-and-error methods. In this context a mathematical model was studied, based on detailed conservation equations and taking into account the main physical-chemical mechanisms involved in polymeric coating degradation, drug release, and restenosis inhibition. It allowed highlighting the interdependence between factors affecting each of these phenomena and, in particular, the influence of stent design parameters on drug antirestenotic efficacy. Therefore, the here-proposed model is aimed to simulate the diffusional release, for both in vitro and the in vivo conditions: results were verified against various literature data, confirming the reliability of the parameter estimation procedure. The hierarchical structure of this model also allows easily modifying the set of equations describing restenosis evolution to enhance model reliability and taking advantage of the deep understanding of physiological mechanisms governing the different stages of smooth muscle cell growth and proliferation. In addition, thanks to its simplicity and to the very low system requirements and central processing unit (CPU) time, our model allows obtaining immediate views of system behavior.
Non linear permanent magnets modelling with the finite element method
International Nuclear Information System (INIS)
Chavanne, J.; Meunier, G.; Sabonnadiere, J.C.
1989-01-01
In order to perform the calculation of permanent magnets with the finite element method, it is necessary to take into account the anisotropic behaviour of hard magnetic materials (Ferrites, NdFeB, SmCo5). In linear cases, the permeability of permanent magnets is a tensor. This one is fully described with the permeabilities parallel and perpendicular to the easy axis of the magnet. In non linear cases, the model uses a texture function which represents the distribution of the local easy axis of the cristallytes of the magnet. This function allows a good representation of the angular dependance of the coercitive field of the magnet. As a result, it is possible to express the magnetic induction B and the tensor as functions of the field and the texture parameter. This model has been implemented in the software FLUX3D where the tensor is used for the Newton-Raphson procedure. 3D demagnetization of a ferrite magnet by a NdFeB magnet is a suitable representative example. They analyze the results obtained for an ideally oriented ferrite magnet and a real one using a measured texture parameter
3D finite element modelling of sheet metal blanking process
Bohdal, Lukasz; Kukielka, Leon; Chodor, Jaroslaw; Kulakowska, Agnieszka; Patyk, Radoslaw; Kaldunski, Pawel
2018-05-01
The shearing process such as the blanking of sheet metals has been used often to prepare workpieces for subsequent forming operations. The use of FEM simulation is increasing for investigation and optimizing the blanking process. In the current literature a blanking FEM simulations for the limited capability and large computational cost of the three dimensional (3D) analysis has been largely limited to two dimensional (2D) plane axis-symmetry problems. However, a significant progress in modelling which takes into account the influence of real material (e.g. microstructure of the material), physical and technological conditions can be obtained by using 3D numerical analysis methods in this area. The objective of this paper is to present 3D finite element analysis of the ductile fracture, strain distribution and stress in blanking process with the assumption geometrical and physical nonlinearities. The physical, mathematical and computer model of the process are elaborated. Dynamic effects, mechanical coupling, constitutive damage law and contact friction are taken into account. The application in ANSYS/LS-DYNA program is elaborated. The effect of the main process parameter a blanking clearance on the deformation of 1018 steel and quality of the blank's sheared edge is analyzed. The results of computer simulations can be used to forecasting quality of the final parts optimization.
FEMA: a Finite Element Model of Material Transport through Aquifers
International Nuclear Information System (INIS)
Yeh, G.T.; Huff, D.D.
1985-01-01
This report documents the construction, verification, and demonstration of a Finite Element Model of Material Transport through Aquifers (FEMA). The particular features of FEMA are its versatility and flexibility to deal with as many real-world problems as possible. Mechanisms included in FEMA are: carrier fluid advection, hydrodynamic dispersion and molecular diffusion, radioactive decay, sorption, source/sinks, and degradation due to biological, chemical as well as physical processes. Three optional sorption models are embodied in FEMA. These are linear isotherm and Freundlich and Langmuir nonlinear isotherms. Point as well as distributed source/sinks are included to represent artificial injection/withdrawals and natural infiltration of precipitation. All source/sinks can be transient or steady state. Prescribed concentration on the Dirichlet boundary, given gradient on the Neumann boundary segment, and flux at each Cauchy boundary segment can vary independently of each other. The aquifer may consist of as many formations as desired. Either completely confined or completely unconfined or partially confined and partially unconfined aquifers can be dealt with effectively. FEMA also includes transient leakage to or from the aquifer of interest through confining beds from or to aquifers lying below and/or above
Development of a finite element model for ultrasonic NDT phenomena
International Nuclear Information System (INIS)
Lord, W.
1988-01-01
Ultrasonic NDT techniques are used extensively in the nuclear industry for the detection and characterization of defects in critical structural components such as pressure vessels and piping. The feasibility of applying finite element analysis methods to the problem of modeling ultrasound/defect interactions has been shown. Considerable work remains to be done before a full three-dimensional model is available for the prediction of realistic ultrasonic transducer signals from sound wave interaction with arbitrarily shaped defects in highly attenuative and anisotropic materials. However, a two-dimensional code has been developed that is capable of predicting finite aperture ultrasonic transducer signals associated with wave propagations in isotropic materials and that shows good qualitative agreement with corresponding experimental observations. This 2-D code has now been extended to include anisotropic materials such as centrifugally cast stainless steel (CCSS), a necessary step in the development of the full 3-D code. Results are given showing the capability of the 2-D code to predict the anomalous wave behavior normally associated with ultrasonic wave propagation in anisotropic materials. In addition, a new signal processing technique is discussed, based on the Wigner transformation, that shows promise for application to centrifugally cast stainless steel NDT problems
FEMA: a Finite Element Model of Material Transport through Aquifers
Energy Technology Data Exchange (ETDEWEB)
Yeh, G.T.; Huff, D.D.
1985-01-01
This report documents the construction, verification, and demonstration of a Finite Element Model of Material Transport through Aquifers (FEMA). The particular features of FEMA are its versatility and flexibility to deal with as many real-world problems as possible. Mechanisms included in FEMA are: carrier fluid advection, hydrodynamic dispersion and molecular diffusion, radioactive decay, sorption, source/sinks, and degradation due to biological, chemical as well as physical processes. Three optional sorption models are embodied in FEMA. These are linear isotherm and Freundlich and Langmuir nonlinear isotherms. Point as well as distributed source/sinks are included to represent artificial injection/withdrawals and natural infiltration of precipitation. All source/sinks can be transient or steady state. Prescribed concentration on the Dirichlet boundary, given gradient on the Neumann boundary segment, and flux at each Cauchy boundary segment can vary independently of each other. The aquifer may consist of as many formations as desired. Either completely confined or completely unconfined or partially confined and partially unconfined aquifers can be dealt with effectively. FEMA also includes transient leakage to or from the aquifer of interest through confining beds from or to aquifers lying below and/or above.
Distinct Element modeling of geophysical signatures during sinkhole collapse
Al-Halbouni, Djamil; Holohan, Eoghan P.; Taheri, Abbas; Dahm, Torsten
2017-04-01
A sinkhole forms due to the collapse of rocks or soil near the Earth's surface into an underground cavity. Such cavities represent large secondary pore spaces derived by dissolution and subrosion in the underground. By changing the stress field in the surrounding material, the growth of cavities can lead to a positive feedback, in which expansion and mechanical instability in the surrounding material increases or generates new secondary pore space (e.g. by fracturing), which in turn increases the cavity size, etc. A sinkhole forms due to the eventual subsidence or collapse of the overburden that becomes destabilized and fails all the way to the Earth's surface. Both natural processes like (sub)surface water movement and earthquakes, and human activities, such as mining, construction and groundwater extraction, intensify such feedbacks. The development of models for the mechanical interaction of a growing cavity and fracturing of its surrounding material, thus capturing related precursory geophysical signatures, has been limited, however. Here we report on the advances of a general, simplified approach to simulating cavity growth and sinkhole formation by using 2D Distinct Element Modeling (DEM) PFC5.0 software and thereby constraining pre-, syn- and post-collapse geophysical and geodetic signatures. This physically realistic approach allows for spontaneous cavity development and dislocation of rock mass to be simulated by bonded particle formulation of DEM. First, we present calibration and validation of our model. Surface subsidence above an instantaneously excavated circular cavity is tracked and compared with an incrementally increasing dissolution zone both for purely elastic and non-elastic material.This validation is important for the optimal choice of model dimensions and particles size with respect to simulation time. Second, a cavity growth approach is presented and compared to a well-documented case study, the deliberately intensified sinkhole collapse at
Directory of Open Access Journals (Sweden)
Mir Hamid Reza Ghoreishy
2014-12-01
Full Text Available A theoretical and experimental study was conducted on the mechanical behavior of nanocomposites based on PA6/NBR thermoplastic elastomer reinforced by single wall carbon nanotubes (SWNTs. The selected samples include 60 and 40% NBR with 0.5, 1.0 and 1.5% SWNT. The modeling methodology was based on the use of two-dimensional "representative volume elements" (RVE. The Abaqus/standard code was employed to carry out the non-linear finite element calculations. Plane stress elements were selected for discretization of the domain. Linear elastic and isotropic hardening elastic-plastic models were utilized to describe the mechanical behaviors of the carbon nanotubes and polymer matrix, respectively. The samples were simultaneously prepared using melt mixing method in a laboratory internal mixer. Different orientations including regular in both longitudinal and transverse directions and random were selected for the nanotubes in the matrix. Also, two structural forms including hollow and solid for the carbon nanotubes were chosen. The highest and lowest predicted moduli were obtained from models with regular orientation in longitudinal and transverse directions, respectively. On the other hand, comparison between the predicted elastic modulus and elastic-plastic behaviors of the samples with their corresponding experimental data revealed that the random orientation in conjunction with hollow structural form gives the best results. Moreover, the selected material model for the thermoplastic elastomer i.e., isotropic hardening can precisely describe the mechanical behavior in both tension and compression modes. It is also concluded that the main source of error in this modeling methodology can be attributed to the effects of interface between polymer and nanotubes and orientation in perpendicular directions.
Polymer dynamics from synthetic polymers to proteins
Indian Academy of Sciences (India)
Keywords. Polymer dynamics; reptation; domain dynamics biomolecules. Abstract. Starting from the standard model of polymer motion - the Rouse model - we briefly present some key experimental results on the mesoscopic dynamics of polymer systems. We touch the role of topological confinement as expressed in the ...
Rheological properties of PHPA polymer support fluids
Lam, Carlos; Martin, P J; Jefferis, S A
2015-01-01
Synthetic polymer fluids are becoming a popular replacement for bentonite slurries to support excavations for deep foundation elements. However, the rheological properties of the polymer fluids used in excavation support have not been studied in detail, and there is currently confusion about the choice of mathematical models for this type of fluid. To advance the current state of knowledge, a laboratory study has been performed to investigate the steady-shear viscosity and transient viscoelas...
Modeling of robotic fish propelled by an ionic polymer-metal composite caudal fin
Chen, Zheng; Shatara, Stephan; Tan, Xiaobo
2009-03-01
In this paper, a model is proposed for a biomimetic robotic fish propelled by an ionic polymer metal composite (IPMC) actuator with a rigid passive fin at the end. The model incorporates both IPMC actuation dynamics and the hydrodynamics, and predicts the steady-state speed of the robot under a periodic actuation voltage. Experimental results have shown that the proposed model can predict the fish motion for different tail dimensions. Since its parameters are expressed in terms of physical properties and geometric dimensions, the model is expected to be instrumental in optimal design of the robotic fish.
Finite element modelling of concrete beams reinforced with hybrid fiber reinforced bars
Smring, Santa binti; Salleh, Norhafizah; Hamid, NoorAzlina Abdul; Majid, Masni A.
2017-11-01
Concrete is a heterogeneous composite material made up of cement, sand, coarse aggregate and water mixed in a desired proportion to obtain the required strength. Plain concrete does not with stand tension as compared to compression. In order to compensate this drawback steel reinforcement are provided in concrete. Now a day, for improving the properties of concrete and also to take up tension combination of steel and glass fibre-reinforced polymer (GFRP) bars promises favourable strength, serviceability, and durability. To verify its promise and support design concrete structures with hybrid type of reinforcement, this study have investigated the load-deflection behaviour of concrete beams reinforced with hybrid GFRP and steel bars by using ATENA software. Fourteen beams, including six control beams reinforced with only steel or only GFRP bars, were analysed. The ratio and the ordinate of GFRP to steel were the main parameters investigated. The behaviour of these beams was investigated via the load-deflection characteristics, cracking behaviour and mode of failure. Hybrid GFRP-Steel reinforced concrete beam showed the improvement in both ultimate capacity and deflection concomitant to the steel reinforced concrete beam. On the other hand, finite element (FE) modelling which is ATENA were validated with previous experiment and promising the good result to be used for further analyses and development in the field of present study.
Modeling dynamic exchange of gaseous elemental mercury at polar sunrise.
Dastoor, Ashu P; Davignon, Didier; Theys, Nicolas; Van Roozendael, Michel; Steffen, Alexandra; Ariya, Parisa A
2008-07-15
At polar sunrise, gaseous elemental mercury (GEM) undergoes an exceptional dynamic exchange in the air and at the snow surface during which GEM can be rapidly removed from the atmosphere (the so-called atmospheric mercury depletion events (AMDEs)) as well as re-emitted from the snow within a few hours to days in the Polar Regions. Although high concentrations of total mercury in snow following AMDEs is well documented, there is very little data available on the redox transformation processes of mercury in the snow and the fluxes of mercury at the air/snow interface. Therefore, the net gain of mercury in the Polar Regions as a result of AMDEs is still an open question. We developed a new version of the global mercury model, GRAHM, which includes for the first time bidirectional surface exchange of GEM in Polar Regions in spring and summer by developing schemes for mercury halogen oxidation, deposition, and re-emission. Also for the first time, GOME satellite data-derived boundary layer concentrations of BrO have been used in a global mercury model for representation of halogen mercury chemistry. Comparison of model simulated and measured atmospheric concentrations of GEM at Alert, Canada, for 3 years (2002-2004) shows the model's capability in simulating the rapid cycling of mercury during and after AMDEs. Brooks et al. (1) measured mercury deposition, reemission, and net surface gain fluxes of mercury at Barrow, AK, during an intensive measurement campaign for a 2 week period in spring (March 25 to April 7, 2003). They reported 1.7, 1.0 +/- 0.2, and 0.7 +/- 0.2 microg m(-2) deposition, re-emission, and net surface gain, respectively. Using the optimal configuration of the model, we estimated 1.8 microg m(-2) deposition, 1.0 microg m(-2) re-emission, and 0.8 microg m(-2) net surface gain of mercury for the same time period at Barrow. The estimated net annual accumulation of mercury within the Arctic Circle north of 66.5 degrees is approximately 174 t with +/-7 t of
Investigation of faulted tunnel models by combined photoelasticity and finite element analysis
International Nuclear Information System (INIS)
Ladkany, S.G.; Huang, Yuping
1994-01-01
Models of square and circular tunnels with short faults cutting through their surfaces are investigated by photoelasticity. These models, when duplicated by finite element analysis can predict the stress states of square or circular faulted tunnels adequately. Finite element analysis, using gap elements, may be used to investigate full size faulted tunnel system
Non-homogeneous polymer model for wave propagation and its ...
African Journals Online (AJOL)
user
density are functions of space i.e. non-homogeneous engineering material. .... The Solution of equation Eq. (9) in the form of Eq. (10) can be obtained by taking a phase ..... Viscoelastic Model Applied to a Particular Case .... p m i exp m α α σ σ σ. = −. +. −. (35). The progressive harmonic wave which starts from the end. 0 x =.
Stripe patterns in a model for block polymers
Peletier, M.A.; Veneroni, M.
2009-01-01
We consider a pattern-forming system in two space dimensions defined by an energy Ge. The functional Ge models strong phase separation in AB diblock copolymer melts, and patterns are represented by {0, 1}-valued functions; the values 0 and 1 correspond to the A and B phases. The parameter e is the
Stripe patterns in a model for block polymers
Peletier, M.A.; Veneroni, M.
2010-01-01
We consider a pattern-forming system in two space dimensions defined by an energy Ge. The functional Ge models strong phase separation in AB diblock copolymer melts, and patterns are represented by {0, 1}-valued functions; the values 0 and 1 correspond to the A and B phases. The parameter e is the
Advances in 3D electromagnetic finite element modeling
International Nuclear Information System (INIS)
Nelson, E.M.
1997-01-01
Numerous advances in electromagnetic finite element analysis (FEA) have been made in recent years. The maturity of frequency domain and eigenmode calculations, and the growth of time domain applications is briefly reviewed. A high accuracy 3D electromagnetic finite element field solver employing quadratic hexahedral elements and quadratic mixed-order one-form basis functions will also be described. The solver is based on an object-oriented C++ class library. Test cases demonstrate that frequency errors less than 10 ppm can be achieved using modest workstations, and that the solutions have no contamination from spurious modes. The role of differential geometry and geometrical physics in finite element analysis is also discussed
Adaptive Smoothed Finite Elements (ASFEM) for history dependent material models
International Nuclear Information System (INIS)
Quak, W.; Boogaard, A. H. van den
2011-01-01
A successful simulation of a bulk forming process with finite elements can be difficult due to distortion of the finite elements. Nodal smoothed Finite Elements (NSFEM) are an interesting option for such a process since they show good distortion insensitivity and moreover have locking-free behavior and good computational efficiency. In this paper a method is proposed which takes advantage of the nodally smoothed field. This method, named adaptive smoothed finite elements (ASFEM), revises the mesh for every step of a simulation without mapping the history dependent material parameters. In this paper an updated-Lagrangian implementation is presented. Several examples are given to illustrate the method and to show its properties.
DEFF Research Database (Denmark)
Kistrup, Kasper; Poulsen, Carl Esben; Østergaard, Peter Friis
2014-01-01
Rapid prototyping is desirable when developing products. One example of such a product is all-polymer, passive flow controlled lab-on-a-chip systems that are preferential when developing low-cost disposable chips for point-of-care use. In this paper we investigate the following aspects of going...... from rapid prototyping to pilot (mass) production. (1) Fabrication of an all-polymer microfluidic system using a rapid prototyped master insert for injection moulding and ultrasonic welding, including a systematic experimental characterisation of chip featured geometric capillary microvalve test...... structures. (2) Numerical modelling of the microvalve burst pressures. Numerical modelling of burst pressures is challenging due to its non-equilibrium nature. We have implemented and tested the level-set method modified with a damped driving term and show that the introduction of the damping term leads...
DEFF Research Database (Denmark)
Mishnaevsky, Leon; Dai, Gaoming
2014-01-01
by using computational micromechanical models. It is shown that while glass/carbon fibers hybrid composites clearly demonstrate higher stiffness and lower weight with increasing the carbon content, they can have lower strength as compared with usual glass fiber polymer composites. Secondary...... nanoreinforcement can drastically increase the fatigue lifetime of composites. Especially, composites with the nanoplatelets localized in the fiber/matrix interface layer (fiber sizing) ensure much higher fatigue lifetime than those with the nanoplatelets in the matrix....
Implicit implementation and consistent tangent modulus of a viscoplastic model for polymers
ACHOUR, Nadia; CHATZIGEORGIOU, George; MERAGHNI, Fodil; CHEMISKY, Yves; FITOUSSI, Joseph
2015-01-01
In this work, the phenomenological viscoplastic DSGZ model (Duan et al., 2001 [13]), developed for glassy or semi-crystalline polymers, is numerically implemented in a three-dimensional framework, following an implicit formulation. The computational methodology is based on the radial return mapping algorithm. This implicit formulation leads to the definition of the consistent tangent modulus which permits the implementation in incremental micromechanical scale transition analysis. The extende...
International Nuclear Information System (INIS)
Minelli, Matteo; Doghieri, Ferruccio
2014-01-01
Data for kinetics of mass uptake from vapor sorption experiments in thin glassy polymer samples are here interpreted in terms of relaxation times for volume dilation. To this result, both models from non-equilibrium thermodynamics and from mechanics of volume relaxation contribute. Different kind of sorption experiments have been considered in order to facilitate the direct comparison between kinetics of solute induced volume dilation and corresponding data from process driven by pressure or temperature jumps
Modelling of the charge carrier mobility in disordered linear polymer materials
Czech Academy of Sciences Publication Activity Database
Toman, Petr; Menšík, Miroslav; Bartkowiak, W.; Pfleger, Jiří
2017-01-01
Roč. 19, č. 11 (2017), s. 7760-7771 ISSN 1463-9076 R&D Projects: GA ČR(CZ) GA15-05095S Grant - others:AV ČR(CZ) M200501204 Program:M Institutional support: RVO:61389013 Keywords : charge carrier mobility * conjugated polymer * charge transport modelling Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 4.123, year: 2016
Lichen Parmelia sulcata time response model to environmental elemental availability
International Nuclear Information System (INIS)
Reis, M.A.; Alves, L.C.; Freitas, M.C.; Os, B. van; Wolterbeek, H.Th.
2000-01-01
Transplants of lichen Parmelia sulcata collected in an area previously identified as non polluted, were placed at six stations, five of which were near Power Plants and the other in an area expected to be a remote station. Together with the lichen transplants, two total deposition collection buckets and an aerosol sampler were installed. Lichens were recollected two every month from each station. At the same time the water collection buckets were replaced by new ones. The aerosol sampler filter was replaced every week, collection being effective only for 10 minutes out of every two hours; in the remote station aerosol filters were replaced only once a month, the collection rate being kept. Each station was run for a period of one year. Both lichens and aerosol filters were analysed by PIXE and INAA at ITN. Total deposition samples were dried under an infrared lamp, and afterwards acid digested and analysed by ICP-MS at the National Geological Survey of The Netherlands. Data for the three types of samples were then produced for a total of 16 elements. In this work we used the data set thus obtained to test a model for the time response of lichen Parmelia sulcata to a new environment. (author)
Finite element modeling of AP1000 nuclear island
International Nuclear Information System (INIS)
Tinic, S.; Orr, R.
2003-01-01
The AP1000 is a standard design developed by Westinghouse and its partners for an advanced nuclear power plant utilizing passive safety features. It is based on the certified design of the AP600 and has been uprated to 1000 MWe. The plant has five principal building structures; the nuclear island, the turbine building; the annex building; the diesel generator building and the radwaste building. The nuclear island consists of the containment building (the steel containment vessel and the containment internal structures), the shield building, and the auxiliary building. These structures are founded on a common basemat and are collectively known as the nuclear island. This paper describes use of the general purpose finite element program ANSYS [2] in structural analyses and qualification of the AP1000 nuclear island buildings. It describes the modeling of the shield building and the auxiliary building and the series of analyses and the flow of information from the global analyses to the detailed analyses and building qualification. (author)
Finite-element method modeling of hyper-frequency structures
International Nuclear Information System (INIS)
Zhang, Min
1990-01-01
The modelization of microwave propagation problems, including Eigen-value problem and scattering problem, is accomplished by the finite element method with vector functional and scalar functional. For Eigen-value problem, propagation modes in waveguides and resonant modes in cavities can be calculated in a arbitrarily-shaped structure with inhomogeneous material. Several microwave structures are resolved in order to verify the program. One drawback associated with the vector functional is the appearance of spurious or non-physical solutions. A penalty function method has been introduced to reduce spurious' solutions. The adaptive charge method is originally proposed in this thesis to resolve waveguide scattering problem. This method, similar to VSWR measuring technique, is more efficient to obtain the reflection coefficient than the matrix method. Two waveguide discontinuity structures are calculated by the two methods and their results are compared. The adaptive charge method is also applied to a microwave plasma excitor. It allows us to understand the role of different physical parameters of excitor in the coupling of microwave energy to plasma mode and the mode without plasma. (author) [fr
Directory of Open Access Journals (Sweden)
N. Montanes
2017-01-01
Full Text Available Polymers are manufactured in molted state, so the rheological properties are mandatory in order to analyse and evaluate its processability. The prediction of the viscoelastic response of a material and the simulation of the behavior of the same when it is processed is achieved with the application of the rheological models. In the preparation by extrusion of bicomponent polymer fibers with self-crimping effect it is essential that the two components have the same viscosity at the nozzle outlet. In order to obtain such viscosity each component must be extruded at a different temperature maintaining all other processing conditions unchanged. Using Cross-WLF rheological modelization is it feasible to determine the temperatures for two polymeric materials in order to obtain the same melt viscosity. In the current work a practical session has been proposed for students of Materials Engineering. Using a capillary rheometer, the students should be able to determine the rheological behavior of two thermoplastic polymers. After adjusting the behavior of the polymers to Cross-WLF model and using the proposed model the students should be able to determine the temperatures in which both polymers have the same viscosity.
Finite Element Modelling of Seismic Liquefaction in Soils
Galavi, V.; Petalas, A.; Brinkgreve, R.B.J.
2013-01-01
Numerical aspects of seismic liquefaction in soils as implemented in the finite element code, PLAXIS, is described in this paper. After description of finite element equations of dynamic problems, three practical dynamic boundary conditions, namely viscous boundary tractions, tied degrees of freedom
Modelling Convergence of Finite Element Analysis of Cantilever Beam
African Journals Online (AJOL)
Convergence studies are carried out by investigating the convergence of numerical results as the number of elements is increased. If convergence is not obtained, the engineer using the finite element method has absolutely no indication whether the results are indicative of a meaningful approximation to the correct solution ...
A cohesive finite element formulation for modelling fracture and ...
Indian Academy of Sciences (India)
cohesive elements experience material softening and lose their stress carrying capacity. A few simple ..... In the present work, a Lagrangian finite element procedure is employed. In this formu clation ...... o, is related to 'c o by,. 't o='c o ¼ 1 ہ. 1.
A multi-species exchange model for fully fluctuating polymer field theory simulations.
Düchs, Dominik; Delaney, Kris T; Fredrickson, Glenn H
2014-11-07
Field-theoretic models have been used extensively to study the phase behavior of inhomogeneous polymer melts and solutions, both in self-consistent mean-field calculations and in numerical simulations of the full theory capturing composition fluctuations. The models commonly used can be grouped into two categories, namely, species models and exchange models. Species models involve integrations of functionals that explicitly depend on fields originating both from species density operators and their conjugate chemical potential fields. In contrast, exchange models retain only linear combinations of the chemical potential fields. In the two-component case, development of exchange models has been instrumental in enabling stable complex Langevin (CL) simulations of the full complex-valued theory. No comparable stable CL approach has yet been established for field theories of the species type. Here, we introduce an extension of the exchange model to an arbitrary number of components, namely, the multi-species exchange (MSE) model, which greatly expands the classes of soft material systems that can be accessed by the complex Langevin simulation technique. We demonstrate the stability and accuracy of the MSE-CL sampling approach using numerical simulations of triblock and tetrablock terpolymer melts, and tetrablock quaterpolymer melts. This method should enable studies of a wide range of fluctuation phenomena in multiblock/multi-species polymer blends and composites.
Probabilistic models for access strategies to dynamic information elements
DEFF Research Database (Denmark)
Hansen, Martin Bøgsted; Olsen, Rasmus L.; Schwefel, Hans-Peter
In various network services (e.g., routing and instances of context-sensitive networking) remote access to dynamically changing information elements is a required functionality. Three fundamentally different strategies for such access are investigated in this paper: (1) a reactive approach...... initiated by the requesting entity, and two versions of proactive approaches in which the entity that contains the information element actively propagates its changes to potential requesters, either (2) periodically or (3) triggered by changes of the information element. This paper develops probabilistic...... for information elements spread over a large number of network nodes are provided, which allow to draw conclusions on scalability properties. The impact of different distribution types for the network delays as well as for the time between changes of the information element on the mismatch probability...
Finite element modeling of multilayered structures of fish scales.
Chandler, Mei Qiang; Allison, Paul G; Rodriguez, Rogie I; Moser, Robert D; Kennedy, Alan J
2014-12-01
The interlinked fish scales of Atractosteus spatula (alligator gar) and Polypterus senegalus (gray and albino bichir) are effective multilayered armor systems for protecting fish from threats such as aggressive conspecific interactions or predation. Both types of fish scales have multi-layered structures with a harder and stiffer outer layer, and softer and more compliant inner layers. However, there are differences in relative layer thickness, property mismatch between layers, the property gradations and nanostructures in each layer. The fracture paths and patterns of both scales under microindentation loads were different. In this work, finite element models of fish scales of A. spatula and P. senegalus were built to investigate the mechanics of their multi-layered structures under penetration loads. The models simulate a rigid microindenter penetrating the fish scales quasi-statically to understand the observed experimental results. Study results indicate that the different fracture patterns and crack paths observed in the experiments were related to the different stress fields caused by the differences in layer thickness, and spatial distribution of the elastic and plastic properties in the layers, and the differences in interface properties. The parametric studies and experimental results suggest that smaller fish such as P. senegalus may have adopted a thinner outer layer for light-weighting and improved mobility, and meanwhile adopted higher strength and higher modulus at the outer layer, and stronger interface properties to prevent ring cracking and interface cracking, and larger fish such as A. spatula and Arapaima gigas have lower strength and lower modulus at the outer layers and weaker interface properties, but have adopted thicker outer layers to provide adequate protection against ring cracking and interface cracking, possibly because weight is less of a concern relative to the smaller fish such as P. senegalus. Published by Elsevier Ltd.
A mechanical model of a non-uniform ionomeric polymer metal composite actuator
International Nuclear Information System (INIS)
Anton, Mart; Aabloo, Alvo; Punning, Andres; Kruusmaa, Maarja
2008-01-01
This paper describes a mechanical model of an IPMC (ionomeric polymer metal composite) actuator in a cantilever beam configuration. The main contribution of our model is that it gives the most detailed description reported so far of the quasistatic mechanical behaviour of the actuator with non-uniform bending at large deflections. We also investigate a case where part of an IPMC actuator is replaced with a rigid elongation and demonstrate that this configuration would make the actuator behave more linearly. The model is experimentally validated with MuscleSheet(TM) IPMCs, purchased from BioMimetics Inc
A discrete finite element modelling and measurements for powder compaction
International Nuclear Information System (INIS)
Choi, J L; Gethin, D T
2009-01-01
An experimental investigation into friction between powder and a target surface together with numerical modelling of compaction and friction processes at a micro-scale are presented in this paper. The experimental work explores friction mechanisms by using an extended sliding plate apparatus operating at low load while sliding over a long distance. Tests were conducted for copper and 316 steel with variation in loads, surface finish and its orientation. The behaviours of the static and dynamic friction were identified highlighting the important influence of particle size, particle shape, material response and surface topography. The results also highlighted that under light loading the friction coefficient remains at a level lower than that derived from experiments on equipment having a wider dynamic range and this is attributed to the enhanced sensitivity of the measurement equipment. The results also suggest that friction variation with sliding distance is a consequence of damage, rather than presentation of an uncontaminated target sliding surface. The complete experimental cycle was modelled numerically using a combined discrete and finite element scheme enabling exploration of mechanisms that are defined at the particle level. Using compaction as the starting point, a number of simulation factors and process parameters were investigated. Comparisons were made with previously published work, showing reasonable agreement and the simulations were then used to explore the process response to the range of particle scale factors. Models comprising regular packing of round particles exhibited stiff response with high initial density. Models with random packing were explored and were found to reflect trends that are more closely aligned with experimental observation, including rearrangement, followed by compaction under a regime of elastic then plastic deformation. Numerical modelling of the compaction stage was extended to account for the shearing stage of the
Rehman, Asad; Ali, Ishtiaq; Qamar, Shamsul
An upwind space-time conservation element and solution element (CE/SE) scheme is extended to numerically approximate the dusty gas flow model. Unlike central CE/SE schemes, the current method uses the upwind procedure to derive the numerical fluxes through the inner boundary of conservation elements. These upwind fluxes are utilized to calculate the gradients of flow variables. For comparison and validation, the central upwind scheme is also applied to solve the same dusty gas flow model. The suggested upwind CE/SE scheme resolves the contact discontinuities more effectively and preserves the positivity of flow variables in low density flows. Several case studies are considered and the results of upwind CE/SE are compared with the solutions of central upwind scheme. The numerical results show better performance of the upwind CE/SE method as compared to the central upwind scheme.
Directory of Open Access Journals (Sweden)
Asad Rehman
Full Text Available An upwind space-time conservation element and solution element (CE/SE scheme is extended to numerically approximate the dusty gas flow model. Unlike central CE/SE schemes, the current method uses the upwind procedure to derive the numerical fluxes through the inner boundary of conservation elements. These upwind fluxes are utilized to calculate the gradients of flow variables. For comparison and validation, the central upwind scheme is also applied to solve the same dusty gas flow model. The suggested upwind CE/SE scheme resolves the contact discontinuities more effectively and preserves the positivity of flow variables in low density flows. Several case studies are considered and the results of upwind CE/SE are compared with the solutions of central upwind scheme. The numerical results show better performance of the upwind CE/SE method as compared to the central upwind scheme. Keywords: Dusty gas flow, Solid particles, Upwind schemes, Rarefaction wave, Shock wave, Contact discontinuity
Wang, XinJie; Wu, YanQing; Huang, FengLei
2017-01-05
A mesoscopic framework is developed to quantify the thermal-mechanical-chemical responses of polymer-bonded explosive (PBX) samples under impact loading. A mesoscopic reactive model is developed for the cyclotetramethylenetetranitramine (HMX) crystal, which incorporates nonlinear elasticity, crystal plasticity, and temperature-dependent chemical reaction. The proposed model was implemented in the finite element code ABAQUS by the user subroutine VUMAT. A series of three-dimensional mesoscale models were constructed and calculated under low-strength impact loading scenarios from 100m/s to 600m/s where only the first wave transit is studied. Crystal anisotropy and microstructural heterogeneity are responsible for the nonuniform stress field and fluctuations of the stress wave front. At a critical impact velocity (≥300m/s), a chemical reaction is triggered because the temperature contributed by the volumetric and plastic works is sufficiently high. Physical quantities, including stress, temperature, and extent of reaction, are homogenized from those across the microstructure at the mesoscale to compare with macroscale measurements, which will advance the continuum-level models. The framework presented in this study has important implications in understanding hot spot ignition processes and improving predictive capabilities in energetic materials. Copyright © 2016 Elsevier B.V. All rights reserved.
Use of the iterative solution method for coupled finite element and boundary element modeling
International Nuclear Information System (INIS)
Koteras, J.R.
1993-07-01
Tunnels buried deep within the earth constitute an important class geomechanics problems. Two numerical techniques used for the analysis of geomechanics problems, the finite element method and the boundary element method, have complementary characteristics for applications to problems of this type. The usefulness of combining these two methods for use as a geomechanics analysis tool has been recognized for some time, and a number of coupling techniques have been proposed. However, not all of them lend themselves to efficient computational implementations for large-scale problems. This report examines a coupling technique that can form the basis for an efficient analysis tool for large scale geomechanics problems through the use of an iterative equation solver
Finite-Element Modeling of Timber Joints with Punched Metal Plate Fasteners
DEFF Research Database (Denmark)
Ellegaard, Peter
2006-01-01
The focus of this paper is to describe the idea and the theory behind a finite-element model developed for analysis of timber trusses with punched metal plate fasteners (nail plates). The finite-element model includes the semirigid and nonlinear behavior of the joints (nonlinear nail and plate...... elements) and contact between timber beams, if any (bilinear contact elements). The timber beams have linear-elastic properties. The section forces needed for design of the joints are given directly by the finite-element model, since special elements are used to model the nail groups and the nail plate...... the behavior of the joints very well at lower load levels. At higher load levels the stiffness is overestimated due to development of cracks in the timber and the linear-elastic timber properties in the finite-element model....
International Nuclear Information System (INIS)
Enders, Sabine; Browarzik, Dieter
2014-01-01
Graphical abstract: - Highlights: • Calculation of the (liquid + liquid) equilibrium of hyperbranched polymer solutions. • Description of branching effects by the lattice-cluster theory. • Consideration of self- and cross association by chemical association models. • Treatment of the molar-mass polydispersity by the use of continuous thermodynamics. • Improvement of the theoretical results by the incorporation of polydispersity. - Abstract: The (liquid + liquid) equilibrium of solutions of hyperbranched polymers of the Boltorn type is modeled in the framework of lattice-cluster theory. The association effects are described by the chemical association models CALM (for self association) and ECALM (for cross association). For the first time the molar mass polydispersity of the hyperbranched polymers is taken into account. For this purpose continuous thermodynamics is applied. Because the segment-molar excess Gibbs free energy depends on the number average of the segment number of the polymer the treatment is more general than in previous papers on continuous thermodynamics. The polydispersity is described by a generalized Schulz–Flory distribution. The calculation of the cloud-point curve reduces to two equations that have to be numerically solved. Conditions for the calculation of the spinodal curve and of the critical point are derived. The calculated results are compared to experimental data taken from the literature. For Boltorn solutions in non-polar solvents the polydispersity influence is small. In all other of the considered cases polydispersity influences the (liquid + liquid) equilibrium considerably. However, association and polydispersity influence phase equilibrium in a complex manner. Taking polydispersity into account the accuracy of the calculations is improved, especially, in the diluted region
International Nuclear Information System (INIS)
Rousseau, J.
2009-07-01
That study focuses on concrete structures submitted to impact loading and is aimed at predicting local damage in the vicinity of an impact zone as well as the global response of the structure. The Discrete Element Method (DEM) seems particularly well suited in this context for modeling fractures. An identification process of DEM material parameters from macroscopic data (Young's modulus, compressive and tensile strength, fracture energy, etc.) will first be presented for the purpose of enhancing reproducibility and reliability of the simulation results with DE samples of various sizes. Then, a particular interaction, between concrete and steel elements, was developed for the simulation of reinforced concrete. The discrete elements method was validated on quasi-static and dynamic tests carried out on small samples of concrete and reinforced concrete. Finally, discrete elements were used to simulate impacts on reinforced concrete slabs in order to confront the results with experimental tests. The modeling of a large structure by means of DEM may lead to prohibitive computation times. A refined discretization becomes required in the vicinity of the impact, while the structure may be modeled using a coarse FE mesh further from the impact area, where the material behaves elastically. A coupled discrete-finite element approach is thus proposed: the impact zone is modeled by means of DE and elastic FE are used on the rest of the structure. An existing method for 3D finite elements was extended to shells. This new method was then validated on many quasi-static and dynamic tests. The proposed approach is then applied to an impact on a concrete structure in order to validate the coupled method and compare computation times. (author)
Modeling and inverse feedforward control for conducting polymer actuators with hysteresis
International Nuclear Information System (INIS)
Wang, Xiangjiang; Alici, Gursel; Tan, Xiaobo
2014-01-01
Conducting polymer actuators are biocompatible with a small footprint, and operate in air or liquid media under low actuation voltages. This makes them excellent actuators for macro- and micro-manipulation devices, however, their positioning ability or accuracy is adversely affected by their hysteresis non-linearity under open-loop control strategies. In this paper, we establish a hysteresis model for conducting polymer actuators, based on a rate-independent hysteresis model known as the Duhem model. The hysteresis model is experimentally identified and integrated with the linear dynamics of the actuator. This combined model is inverted to control the displacement of the tri-layer actuators considered in this study, without using any external feedback. The inversion requires an inverse hysteresis model which was experimentally identified using an inverse neural network model. Experimental results show that the position tracking errors are reduced by more than 50% when the hysteresis inverse model is incorporated into an inversion-based feedforward controller, indicating the potential of the proposed method in enabling wider use of such smart actuators. (paper)
DEFF Research Database (Denmark)
Marla, Deepak; Zhang, Yang; Jabbaribehnam, Mirmasoud
2016-01-01
characteristics. This work presents a study based on a computational model of laser heating of polymer doped with light-absorbing microparticles accounting for the heterogeneous nature of heating. The work aims at gaining a fundamental insight into the nature of the heating process and to understand the role......Doping of polymers with light-absorbing microparticles to increase their optical properties is a commonly used pre-treatment technique in laser processing of polymers. The presence of these particles plays an important role during laser heating of the polymer that influences its surface...... of microparticles. The results suggest that apart from the laser intensity and pulse duration, the properties of the microparticles including their size and distribution also play an important role during the laser heating of polymers....
A finite element/level set model of polyurethane foam expansion and polymerization
Energy Technology Data Exchange (ETDEWEB)
Rao, Rekha R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Long, Kevin Nicholas [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Roberts, Christine Cardinal [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Celina, Mathias C. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Brunini, Victor [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Soehnel, Melissa Marie [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Noble, David R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Tinsley, James [Honeywell Federal Manufacturing & Technologies, Kansas City, MO (United States); Mondy, Lisa [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
2017-12-01
Polyurethane foams are used widely for encapsulation and structural purposes because they are inexpensive, straightforward to process, amenable to a wide range of density variations (1 lb/ft3 - 50 lb/ft3), and able to fill complex molds quickly and effectively. Computational model of the filling and curing process are needed to reduce defects such as voids, out-of-specification density, density gradients, foam decomposition from high temperatures due to exotherms, and incomplete filling. This paper details the development of a computational fluid dynamics model of a moderate density PMDI structural foam, PMDI-10. PMDI is an isocyanate-based polyurethane foam, which is chemically blown with water. The polyol reacts with isocyanate to produces the polymer. PMDI- 10 is catalyzed giving it a short pot life: it foams and polymerizes to a solid within 5 minutes during normal processing. To achieve a higher density, the foam is over-packed to twice or more of its free rise density of 10 lb/ft3. The goal for modeling is to represent the expansion, filling of molds, and the polymerization of the foam. This will be used to reduce defects, optimize the mold design, troubleshoot the processed, and predict the final foam properties. A homogenized continuum model foaming and curing was developed based on reaction kinetics, documented in a recent paper; it uses a simplified mathematical formalism that decouples these two reactions. The chemo-rheology of PMDI is measured experimentally and fit to a generalized- Newtonian viscosity model that is dependent on the extent of cure, gas fraction, and temperature. The conservation equations, including the equations of motion, an energy balance, and three rate equations are solved via a stabilized finite element method. The equations are combined with a level set method to determine the location of the foam-gas interface as it evolves to fill the mold. Understanding the thermal history and loads on the foam due to exothermicity and oven
Computational Modeling of Shape Memory Polymer Origami that Responds to Light
Mailen, Russell William
Shape memory polymers (SMPs) transform in response to external stimuli, such as infrared (IR) light. Although SMPs have many applications, this investigation focuses on their use as actuators in self-folding origami structures. Ink patterned on the surface of the SMP sheet absorbs thermal energy from the IR light, which produces localized heating. The material shrinks wherever the activation temperature is exceeded and can produce out-of-plane deformation. The time and temperature dependent response of these SMPs provides unique opportunities for developing complex three-dimensional (3D) structures from initially flat sheets through self-folding origami, but the application of this technique requires predicting accurately the final folded or deformed shape. Furthermore, current computational approaches for SMPs do not fully couple the thermo-mechanical response of the material. Hence, a proposed nonlinear, 3D, thermo-viscoelastic finite element framework was formulated to predict deformed shapes for different self-folding systems and compared to experimental results for self-folding origami structures. A detailed understanding of the shape memory response and the effect of controllable design parameters, such as the ink pattern, pre-strain conditions, and applied thermal and mechanical fields, allows for a predictive understanding and design of functional, 3D structures. The proposed modeling framework was used to obtain a fundamental understanding of the thermo-mechanical behavior of SMPs and the impact of the material behavior on hinged self-folding. These predictions indicated how the thermal and mechanical conditions during pre-strain significantly affect the shrinking and folding response of the SMP. Additionally, the externally applied thermal loads significantly influenced the folding rate and maximum bending angle. The computational framework was also adapted to understand the effects of fully coupling the thermal and mechanical response of the material
Mechanics of Sister Chromatids studied with a Polymer Model
Directory of Open Access Journals (Sweden)
Yang eZhang
2013-10-01
Full Text Available Sister chromatid cohesion denotes the phenomenon that sister chromatids are initially attached to each other in mitosis to guarantee the error-free distribution into the daughter cells. Cohesion is mediated by binding proteins and only resolved after mitotic chromosome condensation is completed. However, the amount of attachement points required to maintain sister chromatid cohesion while still allowing proper chromosome condensation is not known yet. Additionally the impact of cohesion on the mechanical properties of chromosomes also poses an interesting problem. In this work we study the conformational and mechanical properties of sister chromatids by means of computer simulations. We model both protein-mediated cohesion between sister chromatids and chromosome condensation with a dynamic binding mechanisms. We show in a phase diagram that only specific link concentrations lead to connected and fully condensed chromatids that do not intermingle with each other nor separate due to entropic forces. Furthermore we show that dynamic bonding between chromatids decrease the Young's modulus compared to non-bonded chromatids.
Particle models for discrete element modeling of bulk grain properties of wheat kernels
Recent research has shown the potential of discrete element method (DEM) in simulating grain flow in bulk handling systems. Research has also revealed that simulation of grain flow with DEM requires establishment of appropriate particle models for each grain type. This research completes the three-p...
Droplet size in flow: Theoretical model and application to polymer blends
Fortelný, Ivan; JÅ¯za, Josef
2017-05-01
The paper is focused on prediction of the average droplet radius, R, in flowing polymer blends where the droplet size is determined by dynamic equilibrium between the droplet breakup and coalescence. Expressions for the droplet breakup frequency in systems with low and high contents of the dispersed phase are derived using available theoretical and experimental results for model blends. Dependences of the coalescence probability, Pc, on system parameters, following from recent theories, is considered and approximate equation for Pc in a system with a low polydispersity in the droplet size is proposed. Equations for R in systems with low and high contents of the dispersed phase are derived. Combination of these equations predicts realistic dependence of R on the volume fraction of dispersed droplets, φ. Theoretical prediction of the ratio of R to the critical droplet radius at breakup agrees fairly well with experimental values for steadily mixed polymer blends.
Finite element model to study calcium distribution in oocytes ...
African Journals Online (AJOL)
Parvaiz Ahmad Naik
2015-03-20
Mar 20, 2015 ... Department of Mathematics, Maulana Azad National Institute of Technology, Bhopal 462051 ... finite element method has been employed to obtain the solution. ..... Nelson MT, Cheng H, Rubart M. Relaxation of arterial smooth.
Model studying the processes arising during fuel element overheating
International Nuclear Information System (INIS)
Usynin, G.B.; Anoshkin, Yu.I.; Vlasichev, G.N.; Galitskikh, Yu.N.; Semenychev, M.A.
1986-01-01
A calculational technique for studying heating and melting of fuel elements in the BN type reactors during an accident with heat release failure and a simulator with central rod heater intended for out-of-pile experiments is developed. The time rangeof the characteristic melting steps for the most thermally stressed fuel element at the reactor nominal power is calculated. The experimental study of the fuel element melting using a simulator with a tungsten heater has proved that the technique for the simultor and fuel can melting, respectively, is correct. The developed technique is used for determining the geometrical values and operational conditions for experiments with simulators, when quantitative and qualitative characteristics of the process under study are rather close to those natural for fuel elements
Directory of Open Access Journals (Sweden)
AHMED W. AL-ZAND
2017-01-01
Full Text Available Nonlinear finite element (FE models are prepared to investigate the behaviour of concrete-filled steel tube (CFST beams strengthened by carbon fibre reinforced polymer (CFRP sheets. The beams are strengthened from the bottom side only by varied sheet lengths (full and partial beam lengths and then subjected to ultimate flexural loads. Three surface interaction techniques are used to implement the bonding behaviour between the steel tube and the CFRP sheet, namely, full tie interaction (TI, cohesive element (CE and cohesive behaviour (CB techniques using ABAQUS software. Results of the comparison between the FE analysis and existing experimental study confirm that the FE models with the TI technique could be applicable for beams strengthened by CFRP sheets with a full wrapping length; the technique could not accurately implement the CFRP delamination failure, which occurred for beams with a partial wrapping length. Meanwhile, the FE models with the CE and CB techniques are applicable in the implementation of both CFRP failures (rapture and delamination for both full and partial wrapping lengths, respectively. Where, the ultimate loads' ratios achieved by the FE models using TI, CE and CB techniques about 1.122, 1.047 and 1.045, respectively, comparing to the results of existing experimental tests.
A Kriging Model Based Finite Element Model Updating Method for Damage Detection
Directory of Open Access Journals (Sweden)
Xiuming Yang
2017-10-01
Full Text Available Model updating is an effective means of damage identification and surrogate modeling has attracted considerable attention for saving computational cost in finite element (FE model updating, especially for large-scale structures. In this context, a surrogate model of frequency is normally constructed for damage identification, while the frequency response function (FRF is rarely used as it usually changes dramatically with updating parameters. This paper presents a new surrogate model based model updating method taking advantage of the measured FRFs. The Frequency Domain Assurance Criterion (FDAC is used to build the objective function, whose nonlinear response surface is constructed by the Kriging model. Then, the efficient global optimization (EGO algorithm is introduced to get the model updating results. The proposed method has good accuracy and robustness, which have been verified by a numerical simulation of a cantilever and experimental test data of a laboratory three-story structure.
A Mathematical Model of Repeated Impregnation of Porous Bodies with Solutions of Polymers
Directory of Open Access Journals (Sweden)
I. V. Glebov
2015-01-01
Full Text Available The paper describes basic methods of impregnating porous bodies with solutions of polymers and their use to manufacture prepregs. It also describes the existing methods of manufacturing multilayer prepregs to produce aerospace coating of the spacecraft "Soyuz". It is shown that these prepregs have to meet high requirements for the content of the polymer, as compared with other composite materials, about 35 - 40% of the mass. Methods used for their manufacturing are long-term and non-controllable. The assumption is made that using the vacuum impregnation technology of a woven material will allow to accelerate the manufacturing process of these prepregs and improve their quality.In reviewing the technical literature have been found works on modeling the processes of impregnation, but they are aimed only at studying the speed of the woven material impregnation by various fluids and determining the time of impregnation. There were no models found to define prepreg parameters during the process of multiple impregnations. The aim of this work is to develop the simple mathematical model, which enables us to predict the polymer content of volatile products in the prepreg after each cycle of multiple impregnation of woven material with a solution of the polymer.To consider the vacuum impregnation method are used the prepregs based on silica and silica-nylon stitch-bonding fabric and bakelite varnish LBS-4 containing 50 - 60% of phenol resin and the solvent with minor impurities of pure phenol and water, as an example. To describe the process of vacuum impregnation of the porous work-piece is developed a mathematical description of the process of filling the porous space of the material with a varnish. It is assumed that the varnish components fill the porous space of the material in the same proportion as they are contained in the varnish.It is shown that a single impregnation cannot ensure the content of phenol resin in the prepreg over 32%, which does
A short summary on finite element modelling of fatigue crack closure
Energy Technology Data Exchange (ETDEWEB)
Singh, Konjengbam Darunkumar [Indian Institute of Technology, Guwahati (India); Parry, Matthew Roger [Airbus Operations Ltd, Bristol(United Kingdom); Sinclair, Ian [University of Southampton, Southampton (United Kingdom)
2011-12-15
This paper presents a short summary pertaining to the finite element modelling of fatigue crack closure. Several key issues related to finite element modelling of fatigue crack closure are highlighted: element type, mesh refinement, stabilization of crack closure, crack-tip node release scheme, constitutive model, specimen geometry, stress-states (i.e., plane stress, plane strain), crack closure monitoring. Reviews are presented for both straight and deflected cracks.
A heat mathematical model of polymer composite cylinder during microwave treatment
Directory of Open Access Journals (Sweden)
S. V. Reznik
2014-01-01
Full Text Available Traditional technologies of producing epoxy based polymer composite materials (PCM require a long-term and energy consuming thermal processing. Microwave heating could be used as an alternative technology for heating work pieces made of PCM; this would allow to reduce treatment time and energy consumption significantly. A mathematical model of temperature distribution inside a cylindrical composite system during microwave treatment was investigated in this paper. The model includes a hollow PCM cylinder made of an epoxy binder and carbon fibers and a solid cylindrical mandrel. Theoretical and experimental results on the temperature state of the system were analyzed and discussed.
Huang, Yanyi; Poon, Joyce K. S.; Liang, Wei; Yariv, Amnon; Zhang, Cheng; Dalton, Larry R.
2005-08-01
By combining a solid-state photoreaction model with the modal solutions of an optical waveguide, we simulate the refractive index change due to the photobleaching of CLD-1 chromophores in an amorphous polycarbonate microring resonator. The simulation agrees well with experimental results. The photobleaching quantum efficiency of the CLD-1 chromophores is determined to be 0.65%. The combined modeling of the electromagnetic wave propagation and photoreaction precisely illustrates the spatial and temporal evolution of the optical properties of the polymer material as manifested in the refractive index and their effects on the modal and physical properties of the optical devices.
International Nuclear Information System (INIS)
Resano, M.; Garcia-Ruiz, E.; Vanhaecke, F.
2005-01-01
In this work, the potential of laser ablation-inductively coupled plasma-mass spectrometry for the fast analysis of polymers has been explored. Different real-life samples (polyethylene shopping bags, an acrylonitrile butadiene styrene material and various plastic bricks) as well as several reference materials (VDA 001 to 004, Cd in polyethylene) have been selected for the study. Two polyethylene reference materials (ERM-EC 680 and 681), for which a reference or indicative value for the most relevant metals is available, have proved their suitability as standards for calibration. Special attention has been paid to the difficulties expected for the determination of Cr at the μg g -1 level in this kind of materials, due to the interference of ArC + ions on the most abundant isotopes of Cr. The use of ammonia as a reaction gas in a dynamic reaction cell is shown to alleviate this problem, resulting in a limit of detection of 0.15 μg g -1 for this element, while limiting only modestly the possibilities of the technique for simultaneous multi-element analysis. In this regard, As is the analyte most seriously affected by the use of ammonia, and its determination has to be carried out in vented mode, at the expense of measuring time. In all cases studied, accurate results could be obtained for elements ranging in content from the sub-μg g -1 level to tens of thousands of μg g -1 . However, the use of an element of known concentration as internal standard may be needed for materials with a matrix significantly different from that of the standard (polyethylene in this work). Precision ranged between 5% and 10% RSD for elements found at the 10 μg g -1 level or higher, while this value could deteriorate to 20% for analytes found at the sub-μg g -1 level. Overall, the technique evaluated presents many advantages for the fast and accurate multi-element analysis of these materials, avoiding laborious digestion procedures and minimizing the risk of analyte losses due to the
Modelling and Control of Ionic Electroactive Polymer Actuators under Varying Humidity Conditions
Directory of Open Access Journals (Sweden)
S. Sunjai Nakshatharan
2018-02-01
Full Text Available In this work, we address the problem of position control of ionic electroactive polymer soft actuators under varying relative humidity conditions. The impact of humidity on the actuation performance of ionic actuators is studied through frequency response and impedance spectroscopy analysis. Considering the uncertain performance of the actuator under varying humidity conditions, an adaptable model using the neural network method is developed. The model uses relative humidity magnitude as one of the model parameters, making it robust to different environmental conditions. Utilizing the model, a closed-loop controller based on the model predictive controller is developed for position control of the actuator. The developed model and controller are experimentally verified and found to be capable of predicting and controlling the actuators with excellent tracking accuracy under relative humidity conditions varying in the range of 10–90%.
International Nuclear Information System (INIS)
Bishop, M.; Ceperley, D.; Frisch, H.L.; Kalos, M.H.
1982-01-01
We report additional results on a simple model of polymers, namely the diffusion in concentrated polymer systems and the static properties of one long chain in a dilute melt of shorter chains. It is found, for the polymer sizes and time scales amenable to our computer calculations, that there is as yet no evidence for a ''reptation'' regime in a melt. There is some indication of reptation in the case of a single chain moving through fixed obstacles. No statistically significant effect of the change, from excluded volume behavior of the long chain to ideal behavior as the shorter chains grow, is observed
Energy Technology Data Exchange (ETDEWEB)
Shariati, A.
1996-12-31
The kinetics of polymerization of ethylene catalyzed by a polymer supported Ziegler-Natta catalyst were investigated in a semi-batch reactor system. The influences of six polymerization variables were investigated using a central composite design. The variables were monomer partial pressure, catalyst loading, co-catalyst loading, catalyst particle size and hydrogen to monomer ratio. The influence of temperature on rate and polymer properties were investigated. Empirical models were fitted to the experimental data to quantify the effects of the polymerization variables on the rate characteristics and polymer properties. The rate of polymerization exhibited a first order dependency with respect to monomer partial pressure, but a nonlinear relationship with respect to catalyst loading. In the absence of hydrogen, the polymerization rate showed a non-decaying profile at the centre point conditions for the other variables. Catalyst loading and catalyst particle size had a negligible effect on weight-and-number-average molecular weights, while increasing co-catalysts loading lowered the molecular weights, as did increased temperature and hydrogen concentration. refs., figs.
Novel and Efficient Methods for Calculating Pressure in Polymer Lattice Models
Zhang, Pengfei; Wang, Qiang
2014-03-01
Pressure calculation in polymer lattice models is an important but nontrivial subject. The three existing methods - thermodynamic integration, repulsive wall, and sedimentation equilibrium methods - all have their limitations and cannot be used to accurately calculate the pressure at all polymer volume fractions φ. Here we propose two novel methods. In the first method, we combine Monte Carlo simulation in an expanded grand-canonical ensemble with the Wang-Landau - Optimized Ensemble (WL-OE) simulation to calculate the pressure as a function of polymer volume fraction, which is very efficient at low to intermediate φ and exhibits negligible finite-size effects. In the second method, we introduce a repulsive plane with bridging bonds, which is similar to the repulsive wall method but eliminates its confinement effects, and estimate the two-dimensional density of states (in terms of the number of bridging bonds and the contact number) using the 1/ t version of Wang-Landau algorithm. This works well at all φ, especially at high φ where all the methods involving chain insertion trial moves fail.
Emergent horizon, Hawking radiation and chaos in the collapsed polymer model of a black hole
Energy Technology Data Exchange (ETDEWEB)
Brustein, Ram [Department of Physics, Ben-Gurion University, Beer-Sheva (Israel); Medved, A.J.M. [Department of Physics and Electronics, Rhodes University, Grahamstown (South Africa); National Institute for Theoretical Physics (NITheP), Western Cape (South Africa)
2017-02-15
We have proposed that the interior of a macroscopic Schwarzschild black hole (BH) consists of highly excited, long, closed, interacting strings and, as such, can be modeled as a collapsed polymer. It was previously shown that the scaling relations of the collapsed-polymer model agree with those of the BH. The current paper further substantiates this proposal with an investigation into some of its dynamical consequences. In particular, we show that the model predicts, without relying on gravitational effects, an emergent horizon. We further show that the horizon fluctuates quantum mechanically as it should and that the strength of the fluctuations is inversely proportional to the BH entropy. It is then demonstrated that the emission of Hawking radiation is realized microscopically by the quantum-induced escape of small pieces of string, with the rate of escape and the energy per emitted piece both parametrically matching the Hawking temperature. We also show, using standard methods from statistical mechanics and chaos theory, how our model accounts for some other known properties of BHs. These include the accepted results for the scrambling time and the viscosity-to-entropy ratio, which in our model apply not only at the horizon but throughout the BH interior. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)
An affine microsphere approach to modeling strain-induced crystallization in rubbery polymers
Nateghi, A.; Dal, H.; Keip, M.-A.; Miehe, C.
2018-01-01
Upon stretching a natural rubber sample, polymer chains orient themselves in the direction of the applied load and form crystalline regions. When the sample is retracted, the original amorphous state of the network is restored. Due to crystallization, properties of rubber change considerably. The reinforcing effect of the crystallites stiffens the rubber and increases the crack growth resistance. It is of great importance to understand the mechanism leading to strain-induced crystallization. However, limited theoretical work has been done on the investigation of the associated kinetics. A key characteristic observed in the stress-strain diagram of crystallizing rubber is the hysteresis, which is entirely attributed to strain-induced crystallization. In this work, we propose a micromechanically motivated material model for strain-induced crystallization in rubbers. Our point of departure is constructing a micromechanical model for a single crystallizing polymer chain. Subsequently, a thermodynamically consistent evolution law describing the kinetics of crystallization on the chain level is proposed. This chain model is then incorporated into the affine microsphere model. Finally, the model is numerically implemented and its performance is compared to experimental data.
Emergent horizon, Hawking radiation and chaos in the collapsed polymer model of a black hole
International Nuclear Information System (INIS)
Brustein, Ram; Medved, A.J.M.
2017-01-01
We have proposed that the interior of a macroscopic Schwarzschild black hole (BH) consists of highly excited, long, closed, interacting strings and, as such, can be modeled as a collapsed polymer. It was previously shown that the scaling relations of the collapsed-polymer model agree with those of the BH. The current paper further substantiates this proposal with an investigation into some of its dynamical consequences. In particular, we show that the model predicts, without relying on gravitational effects, an emergent horizon. We further show that the horizon fluctuates quantum mechanically as it should and that the strength of the fluctuations is inversely proportional to the BH entropy. It is then demonstrated that the emission of Hawking radiation is realized microscopically by the quantum-induced escape of small pieces of string, with the rate of escape and the energy per emitted piece both parametrically matching the Hawking temperature. We also show, using standard methods from statistical mechanics and chaos theory, how our model accounts for some other known properties of BHs. These include the accepted results for the scrambling time and the viscosity-to-entropy ratio, which in our model apply not only at the horizon but throughout the BH interior. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)
Everaers, Ralf; Rosa, Angelo
2012-01-07
The quantitative description of polymeric systems requires hierarchical modeling schemes, which bridge the gap between the atomic scale, relevant to chemical or biomolecular reactions, and the macromolecular scale, where the longest relaxation modes occur. Here, we use the formalism for diffusion-controlled reactions in polymers developed by Wilemski, Fixman, and Doi to discuss the renormalisation of the reactivity parameters in polymer models with varying spatial resolution. In particular, we show that the adjustments are independent of chain length. As a consequence, it is possible to match reactions times between descriptions with different resolution for relatively short reference chains and to use the coarse-grained model to make quantitative predictions for longer chains. We illustrate our results by a detailed discussion of the classical problem of chain cyclization in the Rouse model, which offers the simplest example of a multi-scale descriptions, if we consider differently discretized Rouse models for the same physical system. Moreover, we are able to explore different combinations of compact and non-compact diffusion in the local and large-scale dynamics by varying the embedding dimension.
DEFF Research Database (Denmark)
Zhou, H. W.; Yi, H. Y.; Mishnaevsky, Leon
2017-01-01
A modeling approach to time-dependent property of Glass Fiber Reinforced Polymers (GFRP) composites is of special interest for quantitative description of long-term behavior. An electronic creep machine is employed to investigate the time-dependent deformation of four specimens of dog-bond-shaped......A modeling approach to time-dependent property of Glass Fiber Reinforced Polymers (GFRP) composites is of special interest for quantitative description of long-term behavior. An electronic creep machine is employed to investigate the time-dependent deformation of four specimens of dog......-bond-shaped GFRP composites at various stress level. A negative exponent function based on structural changes is introduced to describe the damage evolution of material properties in the process of creep test. Accordingly, a new creep constitutive equation, referred to fractional derivative Maxwell model...... by the fractional derivative Maxwell model proposed in the paper are in a good agreement with the experimental data. It is shown that the new creep constitutive model proposed in the paper needs few parameters to represent various time-dependent behaviors....
Kiran, Raj; Kumar, Anuruddh; Chauhan, Vishal S.; Kumar, Rajeev; Vaish, Rahul
2018-01-01
Finite element analysis of 0-3 composites made of piezoceramic particles and pores embedded in polyvinylidene difluoride (PVDF) has been carried out. The representative volume element (RVE) approach was used to calculate the effective elastic and piezoelectric properties of the periodic isotropic 0-3 piezoelectric composites. It was observed that the elastic and piezoelectric properties increased with the volume fraction of {K}_{0.475} {Na}_{0.475} {Li}_{0.05} ( {{Nb}_{0.92} {Ta}_{0.05} {Sb}_{0.03} } ){O}3 (KNLNTS) particles but decreased for the porous composites. These effective properties were further used to analyze the potential use of such bimorph cantilever beams in sensing and energy harvesting applications. Sensing voltage continuously increased for KNLNTS filled composites while for porous materials it increased up to 15% volume fraction porosity and then decreased. The same trend was also observed for the power produced by the harvester. However, the sensing voltage and power produced by harvesters made of porous composites were lower than for harvesters made of pure PVDF.
Discrete element modeling of deformable particles in YADE
Directory of Open Access Journals (Sweden)
Martin Haustein
2017-01-01
Full Text Available In this paper we describe the open-source discrete element framework YADE and the implementation of a new deformation engine. YADE is a highly expandable software package that allows the simulation of current industrial problems in the field of granular materials using particle-based numerical methods. The description of the compaction of powders and granular material like metal pellets is now possible with a pure and simple discrete element approach in a modern DEM-framework. The deformation is realized by expanding the radius of the spherical particles, depending on their overlap, so that the volume of the material is kept constant.
Ageing evaluation model of nuclear reactors structural elements
International Nuclear Information System (INIS)
Ziliukas, A.; Jutas, A.; Leisis, V.
2002-01-01
In this article the estimation of non-failure probability by random faults on the structural elements of nuclear reactors is presented. Ageing is certainly a significant factor in determining the limits of nuclear plant lifetime or life extensions. Usually the non failure probability rates failure intensity, which is characteristic for structural elements ageing in nuclear reactors. In practice the reliability is increased incorrectly because not all failures are fixed and cumulated. Therefore, the methodology with using the fine parameter of the failures flow is described. The comparison of non failure probability and failures flow is carried out. The calculation of these parameters in the practical example is shown too. (author)
On the relationship between two popular lattice models for polymer melts
Subramanian, Gopinath; Shanbhag, Sachin
2008-10-01
A mapping between two well known lattice bond-fluctuation models for polymers [I. Carmesin and K. Kremer, Macromolecules 21, 2819 (1988); J. S. Shaffer, J. Chem. Phys. 101, 4205 (1994)] is investigated by performing primitive path analysis to identify the average number of monomers per entanglement. Simulations conducted using both models, and previously published data are compared in an attempt to establish relationships between molecular weight, lengthscale, and timescale. Using these relationships, an examination of the self-diffusion coefficient yields excellent agreement not only between the two models, but also with experimental data on polystyrene, polybutadiene, and polydimethylsiloxane. However, it is shown that even with the limited set of criteria examined in this paper, a true mapping between these two models is elusive. Nevertheless, a practical guide to convert between models is provided.
Directory of Open Access Journals (Sweden)
B. Basterra-Beroiz
2018-08-01
Full Text Available For the first time since its formulation in 1986, the theoretical approach proposed by Helmis, Heinrich and Straube (HHS model, which considers the contribution of topological restrictions from entanglements to the swelling of polymer networks, is applied to experimental data. The main aspects and key equations are reviewed and their application is illustrated for unfilled rubber compounds. The HHS model is based on real networks and gives new perspectives to the interpretation of experimental swelling data for which the entanglement contributions are usually neglected by considering phantom network models. This investigation applies a reliable constrained-chain approach through a deformation-dependent tube model for defining the elastic contribution of swollen networks, which is one of the main limitations on the applicability of classical (affine Flory-Rehner and (non-affine phantom models. This short communication intends to provide a baseline for the application and validation of this modern approach for a broader class of rubber materials.
Czech Academy of Sciences Publication Activity Database
Pola, Robert; Heinrich, A. K.; Mueller, T.; Kostka, Libor; Mäder, K.; Pechar, Michal; Etrych, Tomáš
2016-01-01
Roč. 16, č. 11 (2016), s. 1577-1582 ISSN 1616-5187 R&D Projects: GA ČR(CZ) GA15-02986S; GA ČR(CZ) GA16-17207S; GA MŠk(CZ) LO1507 Institutional support: RVO:61389013 Keywords : polymer drug carriers * tumor targeting * enzymatic release Subject RIV: CD - Macromolecular Chemistry Impact factor: 3.238, year: 2016
Pulungan, Ditho Ardiansyah
2018-02-24
Polymers in general exhibit pressure- and rate-dependent behavior. Modeling such behavior requires extensive, costly and time-consuming experimental work. Common simplifications may lead to severe inaccuracy when using the model for predicting the failure of structures. Here, we propose a viscoelastic viscoplastic damage model for polypropylene-based polymers. Such a set of constitutive equations can be used to describe the response of polypropylene under various strain-rates and stress-triaxiality conditions. Our model can also be applied to a broad range of thermoplastic polymers. We detail the experimental campaign that is needed to identify every parameter of the model at best. We validated the proposed model by performing 3-point bending tests at different loading speeds, where the load-displacement response of polypropylene beam up to failure was accurately predicted.
Directory of Open Access Journals (Sweden)
Matseevich Andrey Vyacheslavovich
2018-03-01
Full Text Available Subject of the study: one of the most promising areas in the field of polymer physics is the development of the calculation models allowing to quantify the properties of polymers. This work provides the calculation model for the quantitative assessment of the boiling point of solutions of polymer in the organic solvent. The model is based on the chemical structure of polymer and solvent. For the components the Hildebrand solubility parameter, the latent heat of vaporization and the boiling point of the solvent are calculated. Objectives: to generate the equation connecting the boiling point of polymer solution in the chosen solvent with the boiling point of the pure solvent, the molecular weights of the repeating unit of polymer and the molecule of solvent, the weight fraction of polymer in solution, the Hildebrand solubility parameter and the molar volume of the repeating unit of polymer. Materials and methods: the Hildebrand solubility parameter of solutions and polymers and also the van der Waals volume were calculated using the method of A.A. Askadsky; the enthalpy of vaporization of the solvent at the boiling point was expressed through the Hildebrand solubility parameter. The dependence of the enthalpy of vaporization from the temperature was taken into consideration. The computerization of the method was implemented, according to which all calculations are performed automatically after entering the information on the chemical structure of polymer and solvent into the computer. Results: the equation connecting the ebulliometric constant of the low concentration polymer solution with the boiling point of the solvent, the molar volume of the solvent and the Hildebrand parameter was generated. The results of the analysis were checked with regard to the system of polystyrene/toluene; the possibility of practical application of the offered method was shown. Conclusions: the method presented in this article allows to predict the ebulliometric
Modeling of parasitic elements in high voltage multiplier modules
Wang, J.
2014-01-01
It is an inevitable trend that the power conversion module will have higher switching frequency and smaller volume in the future. Bandgap devices, such as SiC and GaN devices, accelerate the process. With this process, the parasitic elements in the module will probably have stronger influence on
Lichens (Parmelia sulcata) time response model to environmental elemental availability
Reis, M.A.; Alves, L.C.; Freitas, M.C.; Os, B. van; Wolterbeek, H.T.
1999-01-01
Parmelia sulcata transplants, collected in a non-polluted area, were exposed to new atmospheric conditions at six stations, of which five were located near power plants and one at an unpolluted area. Data were collected for a 1-year period, on rainfall, airborne particulates, elemental deposition
Can finite element models detect clinically inferior cemented hip implants?
Stolk, J.; Maher, S.A.; Verdonschot, N.J.J.; Prendergast, P.J.; Huiskes, R.
2003-01-01
Rigorous preclinical testing of cemented hip prostheses against the damage accumulation failure scenario will reduce the incidence of aseptic loosening. For that purpose, a finite element simulation is proposed that predicts damage accumulation in the cement mantle and prosthetic migration. If the
From polymers to quantum gravity: Triple-scaling in rectangular random matrix models
International Nuclear Information System (INIS)
Myers, R.C.; Periwal, V.
1993-01-01
Rectangular NxM matrix models can be solved in several qualitatively distinct large-N limits, since two independent parameters govern the size of the matrix. Regarded as models of random surfaces, these matrix models interpolate between branched polymer behaviour and two-dimensional quantum gravity. We solve such models in a 'triple-scaling' regime in this paper, with N and M becoming large independently. A correspondence between phase transitions and singularities of mappings from R 2 to R 2 is indicated. At different critical points, the scaling behaviour is determined by (i) two decoupled ordinary differential equations; (ii) an ordinary differential equation and a finite-difference equation; or (iii) two coupled partial differential equations. The Painleve II equation arises (in conjunction with a difference equation) at a point associated with branched polymers. For critical points described by partial differential equations, there are dual weak-coupling/strong-coupling expansions. It is conjectured that the new physics is related to microscopic topology fluctuations. (orig.)
Thermal modelling of Li-ion polymer battery for electric vehicle drive cycles
Chacko, Salvio; Chung, Yongmann M.
2012-09-01
Time-dependent, thermal behaviour of a lithium-ion (Li-ion) polymer cell has been modelled for electric vehicle (EV) drive cycles with a view to developing an effective battery thermal management system. The fully coupled, three-dimensional transient electro-thermal model has been implemented based on a finite volume method. To support the numerical study, a high energy density Li-ion polymer pouch cell was tested in a climatic chamber for electric load cycles consisting of various charge and discharge rates, and a good agreement was found between the model predictions and the experimental data. The cell-level thermal behaviour under stressful conditions such as high power draw and high ambient temperature was predicted with the model. A significant temperature increase was observed in the stressful condition, corresponding to a repeated acceleration and deceleration, indicating that an effective battery thermal management system would be required to maintain the optimal cell performance and also to achieve a full battery lifesapn.
Sima, Wenxia; Jiang, Xiongwei; Peng, Qingjun; Sun, Potao
2018-05-01
Electrical breakdown is an important physical phenomenon in electrical equipment and electronic devices. Many related models and theories of electrical breakdown have been proposed. However, a widely recognized understanding on the following phenomenon is still lacking: impulse breakdown strength which varies with waveform parameters, decrease in the breakdown strength of AC voltage with increasing frequency, and higher impulse breakdown strength than that of AC. In this work, an improved model of activation energy absorption for different electrical breakdowns in semi-crystalline insulating polymers is proposed based on the Harmonic oscillator model. Simulation and experimental results show that, the energy of trapped charges obtained from AC stress is higher than that of impulse voltage, and the absorbed activation energy increases with the increase in the electric field frequency. Meanwhile, the frequency-dependent relative dielectric constant ε r and dielectric loss tanδ also affect the absorption of activation energy. The absorbed activation energy and modified trap level synergistically determine the breakdown strength. The mechanism analysis of breakdown strength under various voltage waveforms is consistent with the experimental results. Therefore, the proposed model of activation energy absorption in the present work may provide a new possible method for analyzing and explaining the breakdown phenomenon in semi-crystalline insulating polymers.
Zhou, Xunfei; Hsieh, Sheng-Jen
2017-05-01
After years of development, Fused Deposition Modeling (FDM) has become the most popular technique in commercial 3D printing due to its cost effectiveness and easy-to-operate fabrication process. Mechanical strength and dimensional accuracy are two of the most important factors for reliability of FDM products. However, the solid-liquid-solid state changes of material in the FDM process make it difficult to monitor and model. In this paper, an experimental model was developed to apply cost-effective infrared thermography imaging method to acquire temperature history of filaments at the interface and their corresponding cooling mechanism. A three-dimensional finite element model was constructed to simulate the same process using element "birth and death" feature and validated with the thermal response from the experimental model. In 6 of 9 experimental conditions, a maximum of 13% difference existed between the experimental and numerical models. This work suggests that numerical modeling of FDM process is reliable and can facilitate better understanding of bead spreading and road-to-road bonding mechanics during fabrication.
Analysis of pipe mitred bends using beam models - by finite element method
International Nuclear Information System (INIS)
Salles, A.C.S.L. de.
1984-01-01
The formulation of a recently proposed displacement based straight pipe element for the analysis of pipe mitred bends is summarized in this work. The element kinematics includes axial, bending, torsional and ovalisation displacements, all varying cubically along the axis of the element. Interaction effects between angle adjoined straight pipe section are modeled including the appropriate additional strain terms in the stiffness matrix formulation and by using a penalty procedure to enforce continuity of pipe skin flexural rotations at the common helical edge. The element model capabilities are ilustrated in some sample analysis and the results are compared with other available experimental, analytical or more complex numerical models. (Author) [pt
International Nuclear Information System (INIS)
Du Toit, F.J.
1991-01-01
Polyethylene and polypropylene were reacted with elemental fluorine under carefully controlled conditions to produce fluorocarbon polymers. Fluorination of polymer films resulted in fluorination of only the outer surfaces of the films, while the reaction of elemental fluorine with powdered hydrocarbon polymers produced perfluorocarbon polymers. Existing and newly developed techniques were used to characterize the fluorinated polymers. It was shown that the degree of fluorination was influenced by the surface area of the hydrocarbon material, the concentration, of the fluorine gas, and the time and temperature of fluorination. A fluidized-bed reactor used for the fluorination of polymer powders effectively increased the reaction rate. The surface tension and the oxygen permeability of the fluorinated polymers were studied. The surface tension of hydrocarbon polymers was not influenced by different solvents, but the surface tension of fluorinated polymers was affected by the type of solvent that was used. There were indications that the surface tension was affected by oxygen introduced into the polymer surface during fluorination. Fluorination lowered the permeability of oxygen through hydrocarbon polymers. 55 refs., 51 figs., 26 tabs
Richards, Mark J; Daniel, Susan
2017-02-07
The supported lipid bilayer has been portrayed as a useful model of the cell membrane compatible with many biophysical tools and techniques that demonstrate its appeal in learning about the basic features of the plasma membrane. However, some of its potential has yet to be realized, particularly in the area of bilayer patterning and phase/composition heterogeneity. In this work, we generate contiguous bilayer patterns as a model system that captures the general features of membrane domains and lipid rafts. Micropatterned polymer templates of two types are investigated for generating patterned bilayer formation: polymer blotting and polymer lift-off stenciling. While these approaches have been used previously to create bilayer arrays by corralling bilayers patches with various types of boundaries impenetrable to bilayer diffusion, unique to the methods presented here, there are no physical barriers to diffusion. In this work, interfaces between contiguous lipid phases define the pattern shapes, with continuity between them allowing transfer of membrane-bound biomolecules between the phases. We examine effectors of membrane domain stability including temperature and cholesterol content to investigate domain dynamics. Contiguous patterning of supported bilayers as a model of lipid rafts expands the application of the SLB to an area with current appeal and brings with it a useful toolset for characterization and analysis. These combined tools should be helpful to researchers investigating lipid raft dynamics and function and biomolecule partitioning studies. Additionally, this patterning technique may be useful for applications such as bioseparations that exploit differences in lipid phase partitioning or creation of membranes that bind species like viruses preferentially at lipid phase boundaries, to name a few.
Mathematical model of thermal and mechanical steady state fuel element behaviour TEDEF
International Nuclear Information System (INIS)
Dinic, N.; Kostic, Z.; Josipovic, M.
1987-01-01
In this paper a numerical model of thermal and thermomechanical behaviour of a cylindrical metal uranium fuel element is described. Presented are numerical method and computer program for solving the stationary temperature field and thermal stresses of a fuel element. The model development is a second phase of analysis of these phenomena, and may as well be used for analysing power nuclear reactor fuel elements behaviour. (author)
Modelling multiphase flow inside the porous media of a polymer electrolyte membrane fuel cell
DEFF Research Database (Denmark)
Berning, Torsten; Kær, Søren Knudsen
2011-01-01
Transport processes inside polymer electrolyte membrane fuel cells (PEMFC’s) are highly complex and involve convective and diffusive multiphase, multispecies flow through porous media along with heat and mass transfer and electrochemical reactions in conjunction with water transport through...... an electrolyte membrane. We will present a computational model of a PEMFC with focus on capillary transport of water through the porous layers and phase change and discuss the impact of the liquid phase boundary condition between the porous gas diffusion layer and the flow channels, where water droplets can...
Seismic analysis of the APR1400 nuclear reactor system using a verified beam element model
International Nuclear Information System (INIS)
Park, Jong-beom; Park, No-Cheol; Lee, Sang-Jeong; Park, Young-Pil; Choi, Youngin
2017-01-01
Highlights: • A simplified beam element model is constructed based on the real dynamic characteristics of the APR1400. • Time history analysis is performed to calculate the seismic responses of the structures. • Large deformations can be observed at the in-phase mode of reactor vessel and core support barrel. - Abstract: Structural integrity is the first priority in the design of nuclear reactor internal structures. In particular, nuclear reactor internals should be designed to endure external forces, such as those due to earthquakes. Many researchers have performed finite element analyses to meet these design requirements. Generally, a seismic analysis model should reflect the dynamic characteristics of the target system. However, seismic analysis based on the finite element method requires long computation times as well as huge storage space. In this research, a beam element model was developed and confirmed based on the real dynamic characteristics of an advanced pressurized water nuclear reactor 1400 (APR1400) system. That verification process enhances the accuracy of the finite element analysis using the beam elements, remarkably. Also, the beam element model reduces seismic analysis costs. Therefore, the beam element model was used to perform the seismic analysis. Then, the safety of the APR1400 was assessed based on a seismic analysis of the time history responses of its structures. Thus, efficient, accurate seismic analysis was demonstrated using the proposed beam element model.
Seismic analysis of the APR1400 nuclear reactor system using a verified beam element model
Energy Technology Data Exchange (ETDEWEB)
Park, Jong-beom [Department of Mechanical Engineering, Yonsei University, 50 Yonsei-ro, Seodaemun-gu, Seoul 03722 (Korea, Republic of); Park, No-Cheol, E-mail: pnch@yonsei.ac.kr [Department of Mechanical Engineering, Yonsei University, 50 Yonsei-ro, Seodaemun-gu, Seoul 03722 (Korea, Republic of); Lee, Sang-Jeong; Park, Young-Pil [Department of Mechanical Engineering, Yonsei University, 50 Yonsei-ro, Seodaemun-gu, Seoul 03722 (Korea, Republic of); Choi, Youngin [Korea Institute of Nuclear Safety, 62 Gwahak-ro, Yuseong-gu, Daejeon 34142 (Korea, Republic of)
2017-03-15
Highlights: • A simplified beam element model is constructed based on the real dynamic characteristics of the APR1400. • Time history analysis is performed to calculate the seismic responses of the structures. • Large deformations can be observed at the in-phase mode of reactor vessel and core support barrel. - Abstract: Structural integrity is the first priority in the design of nuclear reactor internal structures. In particular, nuclear reactor internals should be designed to endure external forces, such as those due to earthquakes. Many researchers have performed finite element analyses to meet these design requirements. Generally, a seismic analysis model should reflect the dynamic characteristics of the target system. However, seismic analysis based on the finite element method requires long computation times as well as huge storage space. In this research, a beam element model was developed and confirmed based on the real dynamic characteristics of an advanced pressurized water nuclear reactor 1400 (APR1400) system. That verification process enhances the accuracy of the finite element analysis using the beam elements, remarkably. Also, the beam element model reduces seismic analysis costs. Therefore, the beam element model was used to perform the seismic analysis. Then, the safety of the APR1400 was assessed based on a seismic analysis of the time history responses of its structures. Thus, efficient, accurate seismic analysis was demonstrated using the proposed beam element model.
Material model for non-linear finite element analyses of large concrete structures
Engen, Morten; Hendriks, M.A.N.; Øverli, Jan Arve; Åldstedt, Erik; Beushausen, H.
2016-01-01
A fully triaxial material model for concrete was implemented in a commercial finite element code. The only required input parameter was the cylinder compressive strength. The material model was suitable for non-linear finite element analyses of large concrete structures. The importance of including
Modeling and Simulation of a Nuclear Fuel Element Test Section
Moran, Robert P.; Emrich, William
2011-01-01
"The Nuclear Thermal Rocket Element Environmental Simulator" test section closely simulates the internal operating conditions of a thermal nuclear rocket. The purpose of testing is to determine the ideal fuel rod characteristics for optimum thermal heat transfer to their hydrogen cooling/working fluid while still maintaining fuel rod structural integrity. Working fluid exhaust temperatures of up to 5,000 degrees Fahrenheit can be encountered. The exhaust gas is rendered inert and massively reduced in temperature for analysis using a combination of water cooling channels and cool N2 gas injectors in the H2-N2 mixer portion of the test section. An extensive thermal fluid analysis was performed in support of the engineering design of the H2-N2 mixer in order to determine the maximum "mass flow rate"-"operating temperature" curve of the fuel elements hydrogen exhaust gas based on the test facilities available cooling N2 mass flow rate as the limiting factor.
International Nuclear Information System (INIS)
Beblo, Richard V; Weiland, Lisa Mauck
2010-01-01
Presented is a multiscale modeling method applied to light activated shape memory polymers (LASMPs). LASMPs are a new class of shape memory polymer (SMPs) being developed for adaptive structures applications where a thermal stimulus is undesirable. LASMP developmental emphasis is placed on optical manipulation of Young's modulus. A multiscale modeling approach is employed to anticipate the soft and hard state moduli solely on the basis of a proposed molecular formulation. Employing such a model shows promise for expediting down-selection of favorable formulations for synthesis and testing, and subsequently accelerating LASMP development. An empirical adaptation of the model is also presented which has applications in system design once a formulation has been identified. The approach employs rotational isomeric state theory to build a molecular scale model of the polymer chain yielding a list of distances between the predicted crosslink locations, or r-values. The r-values are then fitted with Johnson probability density functions and used with Boltzmann statistical mechanics to predict stress as a function of the strain of the phantom polymer network. Empirical adaptation for design adds junction constraint theory to the modeling process. Junction constraint theory includes the effects of neighboring chain interactions. Empirical fitting results in numerically accurate Young's modulus predictions. The system is modular in nature and thus lends itself well to being adapted to other polymer systems and development applications
International Nuclear Information System (INIS)
Kistrup, Kasper; Østergaard, Peter Friis; Taboryski, Rafael; Wolff, Anders; Hansen, Mikkel Fougt; Haugshøj, Kenneth Brian; Poulsen, Carl Esben
2014-01-01
Rapid prototyping is desirable when developing products. One example of such a product is all-polymer, passive flow controlled lab-on-a-chip systems that are preferential when developing low-cost disposable chips for point-of-care use. In this paper we investigate the following aspects of going from rapid prototyping to pilot (mass) production. (1) Fabrication of an all-polymer microfluidic system using a rapid prototyped master insert for injection moulding and ultrasonic welding, including a systematic experimental characterisation of chip featured geometric capillary microvalve test structures. (2) Numerical modelling of the microvalve burst pressures. Numerical modelling of burst pressures is challenging due to its non-equilibrium nature. We have implemented and tested the level-set method modified with a damped driving term and show that the introduction of the damping term leads to numerically robust results with limited computational demands and a low number of iterations. Numerical and simplified analytical results are validated against the experimental results. We find that injection moulding and ultrasonic welding are effective for chip production and that the experimental burst pressures could be estimated with an average accuracy of 5% using the presented numerical model. (paper)
Liu, Ling; Onck, Patrick R.
2017-08-01
Azobenzene-embedded liquid crystal polymers can undergo mechanical deformation in response to ultraviolet (UV) light. The natural rodlike trans state azobenzene absorbs UV light and isomerizes to a bentlike cis state, which disturbs the order of the polymer network, leading to an anisotropic deformation. The current consensus is that the magnitude of the photoinduced deformation is related to the statistical building up of molecules in the cis state. However, a recent experimental study [Liu and Broer, Nat. Commun. 6 8334 (2015)., 10.1038/ncomms9334] shows that a drastic (fourfold) increase of the photoinduced deformation can be generated by exposing the samples simultaneously to 365 nm (UV) and 455 nm (visible) light. To elucidate the physical mechanism that drives this increase, we develop a two-light attenuation model and an optomechanical constitutive relation that not only accounts for the statistical accumulation of cis azobenzenes, but also for the dynamic trans-cis-trans oscillatory isomerization process. Our experimentally calibrated model predicts that the optimal single-wavelength exposure is 395 nm light, a pronounced shift towards the visible spectrum. In addition, we identify a range of optimal combinations of two-wavelength lights that generate a favorable response for a given amount of injected energy. Our model provides mechanistic insight into the different (multi)wavelength exposures used in experiments and, at the same time, opens new avenues towards enhanced, multiwavelength optomechanical behavior.
Ivosevic, M.; Knight, R.; Kalidindi, S. R.; Palmese, G. R.; Tsurikov, A.; Sutter, J. K.
2003-01-01
High velocity oxy-fuel (HVOF) sprayed, functionally graded polyimide/WC-Co composite coatings on polymer matrix composites (PMC's) are being investigated for applications in turbine engine technologies. This requires that the polyimide, used as the matrix material, be fully crosslinked during deposition in order to maximize its engineering properties. The rapid heating and cooling nature of the HVOF spray process and the high heat flux through the coating into the substrate typically do not allow sufficient time at temperature for curing of the thermoset. It was hypothesized that external substrate preheating might enhance the deposition behavior and curing reaction during the thermal spraying of polyimide thermosets. A simple analytical process model for the deposition of thermosetting polyimide onto polymer matrix composites by HVOF thermal spray technology has been developed. The model incorporates various heat transfer mechanisms and enables surface temperature profiles of the coating to be simulated, primarily as a function of substrate preheating temperature. Four cases were modeled: (i) no substrate preheating; (ii) substrates electrically preheated from the rear; (iii) substrates preheated by hot air from the front face; and (iv) substrates electrically preheated from the rear and by hot air from the front.
An effective finite element model for the prediction of hydrogen induced cracking in steel pipelines
Traidia, Abderrazak; Alfano, Marco; Lubineau, Gilles; Duval, Sé bastien; Sherik, Abdelmounam M.
2012-01-01
This paper presents a comprehensive finite element model for the numerical simulation of Hydrogen Induced Cracking (HIC) in steel pipelines exposed to sulphurous compounds, such as hydrogen sulphide (H2S). The model is able to mimic the pressure
Finite element modelling and updating of friction stir welding (FSW joint for vibration analysis
Directory of Open Access Journals (Sweden)
Zahari Siti Norazila
2017-01-01
Full Text Available Friction stir welding of aluminium alloys widely used in automotive and aerospace application due to its advanced and lightweight properties. The behaviour of FSW joints plays a significant role in the dynamic characteristic of the structure due to its complexities and uncertainties therefore the representation of an accurate finite element model of these joints become a research issue. In this paper, various finite elements (FE modelling technique for prediction of dynamic properties of sheet metal jointed by friction stir welding will be presented. Firstly, nine set of flat plate with different series of aluminium alloy; AA7075 and AA6061 joined by FSW are used. Nine set of specimen was fabricated using various types of welding parameters. In order to find the most optimum set of FSW plate, the finite element model using equivalence technique was developed and the model validated using experimental modal analysis (EMA on nine set of specimen and finite element analysis (FEA. Three types of modelling were engaged in this study; rigid body element Type 2 (RBE2, bar element (CBAR and spot weld element connector (CWELD. CBAR element was chosen to represent weld model for FSW joints due to its accurate prediction of mode shapes and contains an updating parameter for weld modelling compare to other weld modelling. Model updating was performed to improve correlation between EMA and FEA and before proceeds to updating, sensitivity analysis was done to select the most sensitive updating parameter. After perform model updating, total error of the natural frequencies for CBAR model is improved significantly. Therefore, CBAR element was selected as the most reliable element in FE to represent FSW weld joint.
Finite element modeling of a 3D coupled foot-boot model.
Qiu, Tian-Xia; Teo, Ee-Chon; Yan, Ya-Bo; Lei, Wei
2011-12-01
Increasingly, musculoskeletal models of the human body are used as powerful tools to study biological structures. The lower limb, and in particular the foot, is of interest because it is the primary physical interaction between the body and the environment during locomotion. The goal of this paper is to adopt the finite element (FE) modeling and analysis approaches to create a state-of-the-art 3D coupled foot-boot model for future studies on biomechanical investigation of stress injury mechanism, foot wear design and parachute landing fall simulation. In the modeling process, the foot-ankle model with lower leg was developed based on Computed Tomography (CT) images using ScanIP, Surfacer and ANSYS. Then, the boot was represented by assembling the FE models of upper, insole, midsole and outsole built based on the FE model of the foot-ankle, and finally the coupled foot-boot model was generated by putting together the models of the lower limb and boot. In this study, the FE model of foot and ankle was validated during balance standing. There was a good agreement in the overall patterns of predicted and measured plantar pressure distribution published in literature. The coupled foot-boot model will be fully validated in the subsequent works under both static and dynamic loading conditions for further studies on injuries investigation in military and sports, foot wear design and characteristics of parachute landing impact in military. Copyright © 2011 IPEM. Published by Elsevier Ltd. All rights reserved.
Rahimi Dalkhani, Amin; Javaherian, Abdolrahim; Mahdavi Basir, Hadi
2018-04-01
Wave propagation modeling as a vital tool in seismology can be done via several different numerical methods among them are finite-difference, finite-element, and spectral-element methods (FDM, FEM and SEM). Some advanced applications in seismic exploration benefit the frequency domain modeling. Regarding flexibility in complex geological models and dealing with the free surface boundary condition, we studied the frequency domain acoustic wave equation using FEM and SEM. The results demonstrated that the frequency domain FEM and SEM have a good accuracy and numerical efficiency with the second order interpolation polynomials. Furthermore, we developed the second order Clayton and Engquist absorbing boundary condition (CE-ABC2) and compared it with the perfectly matched layer (PML) for the frequency domain FEM and SEM. In spite of PML method, CE-ABC2 does not add any additional computational cost to the modeling except assembling boundary matrices. As a result, considering CE-ABC2 is more efficient than PML for the frequency domain acoustic wave propagation modeling especially when computational cost is high and high-level absorbing performance is unnecessary.
Finite element model updating in structural dynamics using design sensitivity and optimisation
Calvi, Adriano
1998-01-01
Model updating is an important issue in engineering. In fact a well-correlated model provides for accurate evaluation of the structure loads and responses. The main objectives of the study were to exploit available optimisation programs to create an error localisation and updating procedure of nite element models that minimises the "error" between experimental and analytical modal data, addressing in particular the updating of large scale nite element models with se...
International Nuclear Information System (INIS)
Fazeli, Mohammadreza; Hinebaugh, James; Bazylak, Aimy
2016-01-01
Highlights: • Pore network model for modeling PEMFC MPL-coated GDL effective diffusivity. • Bilayered GDL (substrate and MPL) is modeled with a hybrid network of block MPL elements combined with discrete substrate pores. • Diffusivities of MPL-coated GDLs agree with analytical solutions. - Abstract: In this work, a voxel-based methodology is introduced for the hybridization of a pore network with interspersed nano-porous material elements allowing pore network based oxygen diffusivity calculations in a 3D image of a polymer electrolyte membrane (PEM) fuel cell gas diffusion layer (GDL) with an embedded microporous layer (MPL). The composite GDL is modeled by combining a hybrid network of block MPL elements with prescribed bulk material properties and a topologically equivalent network of larger discrete pores and throats that are directly derived from the 3D image of the GDL substrate. This hybrid network was incorporated into a pore network model, and effective diffusivity predictions of GDL materials with MPL coatings were obtained. Stochastically generated numerical models of carbon paper substrates with and without MPLs were used, and the pore space was directly extracted from this realistic geometry as the input for the pore network model. The effective diffusion coefficient of MPL-coated GDL materials was predicted from 3D images in a pore network modeling environment without resolving the nano-scale structure of the MPL. This method is particularly useful due to the disparate length scales that are involved when attempting to capture pore-scale transport in the GDL. Validation was performed by comparing our predicted diffusivity values to analytical predictions, and excellent agreement was observed. Upon conducting a mesh sensitivity study, it was determined that an MPL element size of 7 μm provided sufficiently high resolution for accurately describing the MPL nano-structure.
Cheng, Ryan R.; Hawk, Alexander T.; Makarov, Dmitrii E.
2013-02-01
Recent experiments showed that the reconfiguration dynamics of unfolded proteins are often adequately described by simple polymer models. In particular, the Rouse model with internal friction (RIF) captures internal friction effects as observed in single-molecule fluorescence correlation spectroscopy (FCS) studies of a number of proteins. Here we use RIF, and its non-free draining analog, Zimm model with internal friction, to explore the effect of internal friction on the rate with which intramolecular contacts can be formed within the unfolded chain. Unlike the reconfiguration times inferred from FCS experiments, which depend linearly on the solvent viscosity, the first passage times to form intramolecular contacts are shown to display a more complex viscosity dependence. We further describe scaling relationships obeyed by contact formation times in the limits of high and low internal friction. Our findings provide experimentally testable predictions that can serve as a framework for the analysis of future studies of contact formation in proteins.
Mutual diffusion coefficient models for polymer-solvent systems based on the Chapman-Enskog theory
Directory of Open Access Journals (Sweden)
R. A. Reis
2004-12-01
Full Text Available There are numerous examples of the importance of small molecule migration in polymeric materials, such as in drying polymeric packing, controlled drug delivery, formation of films, and membrane separation, etc. The Chapman-Enskog kinetic theory of hard-sphere fluids with the Weeks-Chandler-Andersen effective hard-sphere diameter (Enskog-WCA has been the most fruitful in diffusion studies of simple fluids and mixtures. In this work, the ability of the Enskog-WCA model to describe the temperature and concentration dependence of the mutual diffusion coefficient, D, for a polystyrene-toluene system was evaluated. Using experimental diffusion data, two polymer model approaches and three mixing rules for the effective hard-sphere diameter were tested. Some procedures tested resulted in models that are capable of correlating the experimental data with the refereed system well for a solvent mass fraction greater than 0.3.
A mathematical model of the solid-polymer-electrolyte fuel cell
International Nuclear Information System (INIS)
Bernardi, D.M.; Verbrugge, M.W.
1992-01-01
This paper presents a mathematical model of the solid-polymer-electrolyte fuel cell and apply it to (i) investigate factors that limit cell performance and (ii) elucidate the mechanism of species transport in the complex network of gas, liquid, and solid phases of the cell. Calculations of cell polarization behavior compare favorably with existing experimental data. For most practical electrode thicknesses, model results indicate that the volume fraction of the cathode available for gas transport must exceed 20% in order to avoid unacceptably low cell-limiting current densities. It is shown that membrane dehydration can also pose limitations on operating current density; circumvention of this problem by appropriate membrane and electrode design and efficient water-management schemes is discussed. The authors' model results indicate that for a broad range of practical current densities there are no external water requirements because the water produced at the cathode is enough to satisfy the water requirement of the membrane
Modeling the dynamics of polymer chains in water solution. Application to sensor design
Starovoitov, V. N.; Starovoitova, B. N.
2017-10-01
This paper is devoted to a mathematical model of a chaotic dynamics of a polymer chain in water. The model consists of a parabolic equation that is derived according to the self-consistent field approach. This model is employed for the numerical simulation of a biological sensor that detects the presence of a specific protein in the fluid. The sensor is absolutely simple and seems to be new. Besides that, the suggested equation is interesting from the mathematical point of view. It includes a non-local operator of integration not only over the past time interval as in the problems with memory but also over the future time interval. It is unusual for parabolic problems.
Directory of Open Access Journals (Sweden)
Yahya RIYAD
2016-12-01
Full Text Available Seismic retrofitting of constructions vulnerable to earthquakes is a current problem of great political and social relevance. During the last sixty years, moderate to severe earthquakes have occurred in Morocco (specifically in Agadir 1960 and Hoceima 2004. Such events have clearly shown the vulnerability of the building stock in particular and of the built environment in general. Hence, it is very much essential to retrofit the vulnerable building to cope up for the next damaging earthquake. In this paper, the focus will be on a comparative study between two techniques of seismic retrofitting, the first one is a reinforcement using carbon fiber reinforced polymer (CFRP applied to RC elements by bonding , and the second one is a reinforcement with a shear wall. For this study, we will use a non-linear static analysis -also known as Pushover analysis - on a reinforced concrete structure consisting of beams and columns, and composed from eight storey with a gross area of 240 m², designed conforming to the Moroccan Seismic code[1].
Guo, Aiyun; Gu, Jie; Wang, Xiaojuan; Zhang, Ranran; Yin, Yanan; Sun, Wei; Tuo, Xiaxia; Zhang, Li
2017-11-01
Superabsorbent polymers (SAPs) are considered suitable amendments for reducing the selection pressure due to heavy metals and the abundances of antibiotic resistance genes (ARGs) during composting. In this study, three SAP (sodium polyacrylate) levels (0, 5, and 15mgkg -1 of compost) were applied and their effects on the abundances of ARGs, mobile genetic elements (MGEs), and the bacterial community were investigated. After composting, the abundances of ARGs and MGEs decreased to different extent, where the removal efficiencies for tetW, dfrA7, ermX, aac(6')-ib-cr and MGEs exceeded 90%. The high SAP concentration significantly reduced the abundances of ARGs and MGEs, and changed the microbial community. Redundancy analysis indicated that the moisture content mainly explained the changes in ARGs and MGEs. Network analysis determined the potential hosts of ARGs and MGEs, and their co-occurrence. The results suggested that applying 15mgkg -1 SAP is appropriate for reducing ARGs in compost. Copyright © 2017. Published by Elsevier Ltd.
International Nuclear Information System (INIS)
Muto, K.; Motosaka, M.; Kamata, M.; Masuda, K.; Urao, K.; Mameda, T.
1985-01-01
In order to investigate the 3-dimensional earthquake response characteristics of an embedded structure with consideration for soil-structure interaction, the authors have developed an analytical method using 3-dimensional hybrid model of boundary elements (BEM) and finite elements (FEM) and have conducted a dynamic analysis of an actual nuclear reactor building. This paper describes a comparative study between two different embedment depths in soil as elastic half-space. As the results, it was found that the earthquake response intensity decreases with the increase of the embedment depth and that this method was confirmed to be effective for investigating the 3-D response characteristics of embedded structures such as deflection pattern of each floor level, floor response spectra in high frequency range. (orig.)