Spectral element based model for wave propagation analysis in multi-wall carbon nanotubes

A spectrally formulated finite element is developed to study elastic waves in carbon nanotubes (CNT), where the frequency content of the exciting signal is at terahertz level. A multi-walled nanotube (MWNT) is modelled as an assemblage of Euler–Bernoulli beams connected throughout their length by distributed springs, whose stiffness is governed by the van der Waals force acting between the nanotubes. The spectral element is developed using the recently developed formulation strategy based on the solution of polynomial eigenvalue problem (PEP). A single element can model a MWNT with any number of walls. Studies are carried out to investigate the effect of the number of walls on the spectrum and dispersion relation. Effect of the number of walls on the frequency response function is investigated. Response of MWNT for terahertz level loading is analyzed for broad-band shear pulse.     

Nonlocal shell model for elastic wave propagation in single- and double-walled carbon nanotubes

This paper investigates the transverse and torsional wave in single- and double-walled carbon nanotubes (SWCNTs and DWCNTs), focusing on the effect of carbon nanotube microstructure on wave dispersion. The SWCNTs and DWCNTs are modeled as nonlocal single and double elastic cylindrical shells. Molecular dynamics (MD) simulations indicate that the wave dispersion predicted by the nonlocal elastic cylindrical shell theory shows good agreement with that of the MD simulations in a wide frequency range up to the terahertz region. The nonlocal elastic shell theory provides a better prediction of the dispersion relationships than the classical shell theory when the wavenumber is large enough for the carbon nanotube microstructure to have a significant influence on the wave dispersion. The nonlocal shell models are required when the wavelengths are approximately less than 2.36×10⁻⁹ and 0.95×10⁻⁹ m for transverse wave in armchair (15,15) SWCNT and torsional wave in armchair (10,10) SWCNT, respectively. Moreover, an MD-based estimation of the scale coefficient e₀ for the nonlocal elastic cylindrical shell model is suggested. Due to the small-scale effects of SWCNTs and the interlayer van der Waals interaction of DWCNTs, the phase difference of the transverse wave in the inner and outer tube can be observed in MD simulations in wave propagation at high frequency. However, the van der Waals interaction has little effect on the phase difference of transverse wave.     

Boundary-type finite element method for wave propagation analysis

The boundary-type finite element method has been investigated and applied to the Helmholz and mild-slope equations. Four types of interpolation function are examined based on trigonometric function series. Three-node triangular, four-node quadrilateral, six-node triangular and eight-node quadrilateral elements are tested; these are all non-conforming elements. Three types of numerical example show that the three-node triangular and four-node quadrilateral elements are useful for practical analysis.     

Mechanics of deformation of single- and multi-wall carbon nanotubes

An effective continuum/finite element (FE) approach for modeling the structure and the deformation of single- and multi-wall carbon nanotubes (CNTs) is presented. Individual tubes are modeled using shell elements, where a specific pairing of elastic properties and mechanical thickness of the tube wall is identified to enable successful modeling with shell theory. The incorporation and role of an initial internal distributed stress through the thickness of the wall, due to the cylindrical nature of the tube, are discussed. The effects of van der Waals forces, crucial in multi-wall nanotubes and in tube/tube or tube/substrate interactions, are simulated by the construction of special interaction elements.The success of this new CNT modeling approach is verified by first comparing simulations of deformation of single-wall nanotubes with molecular dynamics results available in the literature. Simulations of final deformed configurations, as well strain energy histories, are in excellent agreement with the atomistic models for various deformations. The approach was then applied to the bending of multi-wall carbon nanotubes (MWNTs), and the deformed configurations were compared to corresponding high-resolution images from experiments. The proposed approach successfully predicts the experimentally observed wavelengths and shapes of the wrinkles that develop in bent MWNTs, a complex phenomenon dominated by inter-layer interactions. Presented results demonstrate that the proposed FE technique could provide a valuable tool for studying the mechanical behavior of MWNTs as single entities, as well as their effectiveness as load-bearing entities in nanocomposite materials.     

Finite element analysis of wave propagation in fluid-saturated porous media

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A spectrally formulated finite element for wave propagation analysis in functionally graded beams

In this paper, spectral finite element method is employed to analyse the wave propagation behavior in a functionally graded (FG) beam subjected to high frequency impulse loading, which can be either thermal or mechanical. A new spectrally formulated element that has three degrees of freedom per node (based upon the first order shear deformation theory) is developed, which has an exact dynamic stiffness matrix, obtained by exactly solving the homogeneous part of the governing equations in the frequency domain. The element takes into account the variation of thermal and mechanical properties along its depth, which can be modeled either by explicit distribution law like the power law and the exponential law or by rule of mixture as used in composite. Ability of the element in capturing the essential wave propagation behavior other than predicting the propagating shear mode (which appears only at high frequency and is present only in higher order beam theories), is demonstrated. Propagation of stress wave and smoothing of depthwise stress distribution with time is presented. Dependence of cut-off frequency and maximum stress gradient on material properties and FG material (FGM) content is studied. The results are compared with the 2D plane stress FE and 1D Beam FE formulation. The versatility of the method is further demonstrated through the response of FG beam due to short duration highly transient temperature loading.     

A molecular based anisotropic shell model for single-walled carbon nanotubes

Single-walled carbon nanotubes (SWCNTs) are frequently modeled as isotropic elastic shells. However, there are obvious evidences showing that SWCNTs exhibit remarkable chirality induced anisotropy that should not be neglected in some cases. In this paper, we derive the closed-form expressions for the anisotropic elastic properties of SWCNTs using a molecular mechanics model. Based on these anisotropic elastic properties, we develop a molecular based anisotropic shell model (MBASM) for predicting the mechanical behavior of SWCNTs. The explicit expressions for the coupling of axial, circumferential, and torsional strains, the radial breathing mode frequency, and the longitudinal and torsional wave speeds are obtained. We show that the MBASM is capable of predicting the effects of size and chirality on these quantities. The efficiency and accuracy of the MBASM are validated by comparisons of the present results with the existing results.     

金沙江虎跳峡河段岸坡变形破坏的相关动力因子研究

石墨层和单臂碳纳米管都是以C---C共价键结合的. 在小变形条件下C---C键的势能可用谐和函 数来描述，这与梁单元的变形能具有相同的形式，因此可以用梁单元等效C---C键的作用. 提出了一种C---C键的等效梁单元有限元模型，该模型能够完备地替代谐和势描述C---C键的 伸长、面内键角变化、离面键角变化和扭转. 通过分析石墨层的典型受载情况得到了等效梁 单元的参数，以及等效梁单元参数与谐和势参数的关系，并用该模型计算了单臂碳纳米管的 杨氏模量和泊松比，计算结果为相关文献所验证.     

Atomic-scale finite element analysis of vibration mode transformation in carbon nanorings and single-walled carbon nanotubes

Atomic-scale finite element analyses show that 2:1 internal resonance mechanism exists in a range of single-walled carbon nanorings (10–60). When an initial radial breathing mode (RBM) vibration with sufficiently high velocity is imposed to a nanoring, circumferential flexural modes (CFMs) can be excited after a period of RBM-dominated vibration. Then, mode transformations between RBM and the excited CFMs can be observed in the subsequent vibration process. When single-walled carbon nanorings are assembled to make double- or triple-walled carbon nanorings, the 2:1 internal resonance may change to 1:1 internal resonance in a specific ring due to the strong interactions between these nanorings. Furthermore, mode transformations between RBM and the excited CFMs can become unstable in a specific ring if the excited CFMs in neighbouring layer rings are not symmetrically matching between each other. 2:1 internal resonance is also shown in selected armchair single-walled carbon nanotubes except in a special case (armchair (9, 9)), in which 1:1 internal resonance occurs.     

A depth‐integrated non‐hydrostatic finite element model for wave propagation

This paper presents a two‐dimensional finite element model for simulating dynamic propagation of weakly dispersive waves. Shallow water equations including extra non‐hydrostatic pressure terms and a depth‐integrated vertical momentum equation are solved with linear distributions assumed in the vertical direction for the non‐hydrostatic pressure and the vertical velocity. The model is developed based on the platform of a finite element model, CCHE2D. A physically bounded upwind scheme for the advection term discretization is developed, and the quasi second‐order differential operators of this scheme result in no oscillation and little numerical diffusion. The depth‐integrated non‐hydrostatic wave model is solved semi‐implicitly: the provisional flow velocity is first implicitly solved using the shallow water equations; the non‐hydrostatic pressure, which is implicitly obtained by ensuring a divergence‐free velocity field, is used to correct the provisional velocity, and finally the depth‐integrated continuity equation is explicitly solved to satisfy global mass conservation. The developed wave model is verified by an analytical solution and validated by laboratory experiments, and the computed results show that the wave model can properly handle linear and nonlinear dispersive waves, wave shoaling, diffraction, refraction and focusing. Copyright © 2013 John Wiley & Sons, Ltd.     

Phonon dispersion analysis of carbon nanotubes based on inter-belt model and symplectic solution method

The objective of the study is to develop a totally new theory and structural mechanics model for phonon dispersion analysis of carbon nanotubes. The fundamental theory and computational algorithm for phonon dispersion analysis of carbon nanotubes are developed based on the symplectic theory and algorithm established in applied mechanics in recent years. Carbon nanotubes are simulated by two kinds of structural mechanics models, i.e. the conventional sub-structure model and the inter-belt model. The variational principle for wave dissipation analysis of periodic structure is given on the basis of the symplectic-mathematical theory. Numerical examples are carried out to demonstrate the validity of the theory and algorithm developed. By the comparison of the results obtained by the two kinds of structural mechanics models, it can be found that the inter-belt model has more advantages than the conventional sub-structure model in the calculation of phonon spectra of nanotubes. As a basic research work, the present study illustrates well the potential of the symplectic-mathematical theory as well as the inter-belt model and is valuable for the further research in computational nanomechanics.     

Wave propagation in carbon nanotubes embedded in an elastic matrix

This paper reports the results of an investigation into the characteristics of wave propagation in carbon nanotubes embedded in an elastic matrix, based on an exact shell model. Each of the concentric tubes of multi-walled carbon nanotubes is considered as an individual elastic shell and coupled together through the van der Waals forces between two adjacent tubes. The matrix surrounding carbon nanotubes is described as a spring element defined by the Winkler model. The effects of rotatory inertia and elastic matrix on the wave velocity, the critical frequency, and the amplitude ratio between two adjacent tubes are described and discussed through numerical examples. The results obtained show that wave propagation in carbon nanotubes may appear in a critical frequency at which the wave velocity changes suddenly; the elastic matrix surrounding carbon nanotubes debases the critical frequency and the wave velocity, and changes the vibration modes between two adjacent tubes; the rotatory inertia based on an exact shell model obviously influences the wave velocity at some wave modes. Finally, a comparison of dispersion solutions from different shell models is given. The present work may serve as a useful reference for the application and the design of nano-electronic and nano-drive devices, nano-oscillators, and nano-sensors, in which carbon nanotubes act as basic elements.     

PARTITION OF UNITY FINITE ELEMENT METHOD FOR SHORT WAVE PROPAGATION IN SOLIDS

IntroductionIt is known that standard finite element procedure is unable to simulate the wavepropagation with high oscillations or gradients in space in the media with reasonableefficiency and accuracy due to the nature of polynomial interpolation approxi…     

Finite deformation continuum model for single-walled carbon nanotubes

A continuum-based model for computing strain energies and estimating Young’s modulus of single-walled carbon nanotubes (SWCNTs) is developed by using an energy equivalence-based multi-scale approach. A SWCNT is viewed as a continuum hollow cylinder formed by rolling up a flat graphite sheet that is treated as an isotropic continuum plate. Kinematic analysis is performed on the continuum level, with the Hencky (true) strain and the Cauchy (true) stress being employed to account for finite deformations. Based on the equivalence of the strain energy and the molecular potential energy, a formula for calculating Young’s modulus of SWCNTs is derived. This formula, containing both the molecular and continuum scale parameters, directly links macroscopic responses of nanotubes to their molecular structures. Sample numerical results show that the predictions by the new model compare favorably with those by several existing continuum and molecular dynamics models.     

Second-gradient homogenized model for wave propagation in heterogeneous periodic media

The paper is focused on a homogenization procedure for the analysis of wave propagation in materials with periodic microstructure. By a reformulation of the variational-asymptotic homogenization technique recently proposed by Bacigalupo and Gambarotta (2012a), a second-gradient continuum model is derived, which provides a sufficiently accurate approximation of the lowest (acoustic) branch of the dispersion curves obtained by the Floquet–Bloch theory and may be a useful tool for the wave propagation analysis in bounded domains. The multi-scale kinematics is described through micro-fluctuation functions of the displacement field, which are derived by the solution of a recurrent sequence of cell BVPs and obtained as the superposition of a static and dynamic contribution. The latters are proportional to the even powers of the phase velocity and consequently the micro-fluctuation functions also depend on the direction of propagation. Therefore, both the higher order elastic moduli and the inertial terms result to depend by the dynamic correctors. This approach is applied to the study of wave propagation in layered bi-materials with orthotropic phases, having an axis of orthotropy parallel to the direction of layering, in which case, the overall elastic and inertial constants can be determined analytically. The reliability of the proposed procedure is analysed by comparing the obtained dispersion functions with those derived by the Floquet–Bloch theory.     

Discrete element simulation of shock wave propagation in polycrystalline copper

The implementation of the characteristic of compressive plasticity into the Discrete Element Code, DM2, while maintaining its quasi-molecular scheme, is described. The code is used to simulate the shock compression of polycrystalline copper at 3.35 and 11.0 GPa. The model polycrystal has a normal distribution of grain sizes, with mean diameter 14 μm, and three distinct grain orientations are permitted with respect to the shock direction; 〈1 0 0〉, 〈1 1 0〉, and 〈1 1 1〉. Particle velocity dispersion (PVD) is present in the shock-induced flow, attaining its maximum magnitude at the plastic wave rise. PVD normalised to the average particle velocity of and are yielded for the 3.35 and 11.0 GPa shocks, respectively, and are of the same order as those seen in the experiment. Non-planar elastic and plastic wave fronts are present, the distribution in shock front position increasing with propagation distance. The rate of increase of the spread in shock front positions is found to be significantly smaller than that seen in probabilistic calculations on nickel polycrystals, and this difference is attributed, in the main, to grain interaction. Reflections at free surfaces yield a region of tension near to the target free surface. Due to the dispersive nature of the shock particle velocity and the non-planarity of the shock front, the tensile pressure is distributed. This may have implications for the spall strength, which are discussed. Simulations reveal a transient shear stress distribution behind the shock front. Such a distribution agrees with that put forward by Lipkin and Asay to explain the quasi-elastic reloading phenomenon. Simulation of reloading shocks show that the shear stress distribution can give rise to quasi-elastic reloading on the grain scale.     

An earthquake engineering wave propagation model

Summary A finite element model for the seismic behaviour of soils requires the definition of suitable boundary conditions to simulate the surrounding soil. These conditions are here analyzed theoretically under the only assumption that the boundary soil behaves elastically. Their application requires the definition of the wave direction. The one of impinging waves is known, being an input datum; the one of the outcoming waves is in general not known a priori. The amount of errors involved is discussed. Analogous problem was previously dealt with for sources of disturbances interiors to the represented portion of the space.

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Sommario L'analisi numerica del comportamento sismico di terreni mediante elementi finiti richiede la definizione di opportune condizioni al contorno per simulare le onde che entrano nella porzione di spazio rappresentato e per assorbire quelle che da questo si propagano verso l'infinito.Tali condizioni sono ricavate teoricamente, nella sola ipotesi che il terreno sul contorno si comporti linearmente. La loro applicazione in programmi di calcolo richiede di precisare al contorno la direzione di propagazione delle onde entranti e di quelle uscenti. La direzione delle prime è un dato del problema, ma la direzione delle onde uscenti non è nota a priori. L'entità degli errori che possono risultarne è discussa sulla base della stessa formulazione teorica. Analogo problema era stato affrontato in precedenza per sorgenti di disturbo interne allo spazio rappresentato.

     

In-plane wave motion in finite element model

The analysis method of lattice dynamics in classical physics is extended to study the properties of in-plane wave motion in the hybrid-mass finite element model in this paper. The dispersion equations of P and SV waves in the discrete model are first obtained by means of separating the characteristic equation of the motion equation, and then used to analyse the properties of P-and SV-homogeneous, inhomogeneous waves and other types of motion in the model. The dispersion characters, cut-off frequencies of P and SV waves, the polarization drift and appendent anisotropic property of wave motion caused by the discretization are finally discussed. The project sponsored by the Earthquake Science Foundation under Contract No. 90141