Plane-strain crack problems in microstructured solids governed by dipolar gradient elasticity

The present study aims at determining the elastic stress and displacement fields around the tips of a finite-length crack in a microstructured solid under remotely applied plane-strain loading (mode I and II cases). The material microstructure is modeled through the Toupin-Mindlin generalized continuum theory of dipolar gradient elasticity. According to this theory, the strain-energy density assumes the form of a positive-definite function of the strain tensor (as in classical elasticity) and the gradient of the strain tensor (additional term). A simple but yet rigorous version of the theory is employed here by considering an isotropic linear expression of the elastic strain-energy density that involves only three material constants (the two Lamé constants and the so-called gradient coefficient). First, a near-tip asymptotic solution is obtained by the Knein-Williams technique. Then, we attack the complete boundary value problem in an effort to obtain a full-field solution. Hypersingular integral equations with a cubic singularity are formulated with the aid of the Fourier transform. These equations are solved by analytical considerations on Hadamard finite-part integrals and a numerical treatment. The results show significant departure from the predictions of standard fracture mechanics. In view of these results, it seems that the classical theory of elasticity is inadequate to analyze crack problems in microstructured materials. Indeed, the present results indicate that the stress distribution ahead of the crack tip exhibits a local maximum that is bounded. Therefore, this maximum value may serve as a measure of the critical stress level at which further advancement of the crack may occur. Also, in the vicinity of the crack tip, the crack-face displacement closes more smoothly as compared to the standard result and the strain field is bounded. Finally, the J-integral (energy release rate) in gradient elasticity was evaluated. A decrease of its value is noticed in comparison with the classical theory. This shows that the gradient theory predicts a strengthening effect since a reduction of crack driving force takes place as the material microstructure becomes more pronounced.     

An accurate molecular mechanics model for computation of size-dependent elastic properties of armchair and zigzag single-walled carbon nanotubes

In this paper, an analytical solution based on a molecular mechanics model is developed to evaluate the mechanical properties of armchair and zigzag single-walled carbon nanotubes (SWCNTs). Adopting the Perdew–Burke–Ernzerhof (PBE) exchange correlation, the density functional theory (DFT) calculations are performed within the generalized gradient approximation (GGA) to evaluate force constants used in the molecular mechanics model. After that, based on the principle of molecular mechanics, explicit expressions are proposed to obtain surface Young’s modulus, Poisson’s ratio and surface shear modulus of SWCNTs corresponding to both types of armchair and zigzag chiralities. Based on the DFT calculations, it is found that the flexural rigidity of graphene is independent of the type of chirality which indicates the isotropic characteristic of this material. Moreover, it is observed that for the all values of nanotube diameter, surface Young’s modulus for the armchair nanotube is more than that of zigzag nanotube. It is shown that the trend predicted by the present model is in good agreement with other models which confirms the validity as well as the accuracy of the present molecular mechanics model.     

A nonlocal strain gradient shell model incorporating surface effects for vibration analysis of functionally graded cylindrical nanoshells

In this paper, a novel size-dependent functionally graded(FG) cylindrical shell model is developed based on the nonlocal strain gradient theory in conjunction with the Gurtin-Murdoch surface elasticity theory. The new model containing a nonlocal parameter, a material length scale parameter, and several surface elastic constants can capture three typical types of size effects simultaneously, which are the nonlocal stress effect, the strain gradient effect, and the surface energy effects. With the help of Hamilton's principle and first-order shear deformation theory, the non-classical governing equations and related boundary conditions are derived. By using the proposed model, the free vibration problem of FG cylindrical nanoshells with material properties varying continuously through the thickness according to a power-law distribution is analytically solved, and the closed-form solutions for natural frequencies under various boundary conditions are obtained. After verifying the reliability of the proposed model and analytical method by comparing the degenerated results with those available in the literature, the influences of nonlocal parameter, material length scale parameter, power-law index, radius-to-thickness ratio, length-to-radius ratio, and surface effects on the vibration characteristic of functionally graded cylindrical nanoshells are examined in detail.     

Second strain gradient elasticity of nano-objects

Mindlin's second strain gradient continuum theory for isotropic linear elastic materials is used to model two different kinds of size-dependent surface effects observed in the mechanical behaviour of nano-objects. First, the existence of an initial higher order stress represented by Mindlin's cohesion parameter, b₀, makes it possible to account for the relaxation behaviour of traction-free surfaces. Second, the higher order elastic moduli, c_i, coupling the strain tensor and its second gradient are shown to significantly affect the apparent elastic properties of nano-beams and nano-films under uni-axial loading. These two effects are independent from each other and allow for separated identification of the corresponding material parameters. Analytical results are provided for the size-dependent apparent shear modulus of a nano-thin strip under shear. Finite element simulations are then performed to derive the dependence of the apparent Young modulus and Poisson ratio of nano-films with respect to their thickness, and to illustrate hole free surface relaxation in a periodic nano-porous material.     

Curvature-dependent surface energy and implications for nanostructures

At small length scales, several size-effects in both physical phenomena and properties can be rationalized by invoking the concept of surface energy. Conventional theoretical frameworks of surface energy, in both the mechanics and physics communities, assume curvature independence. In this work we adopt a simplified and linearized version of a theory proposed by Steigmann–Ogden to capture curvature-dependence of surface energy. Connecting the theory to atomistic calculations and the solution to an illustrative paradigmatical problem of a bent cantilever beam, we catalog the influence of curvature-dependence of surface energy on the effective elastic modulus of nanostructures. The observation in atomistic calculations that the elastic modulus of bent nanostructures is dramatically different than under tension – sometimes softer, sometimes stiffer – has been a source of puzzlement to the scientific community. We show that the corrected surface mechanics framework provides a resolution to this issue. Finally, we propose an unambiguous definition of the thickness of a crystalline surface.     

Boussinesq–Flamant problem in gradient elasticity with surface energy

The strain gradient elasticity theory with surface energy is applied to Boussinesq–Flamant problem. The solution for the vertical displacements at the surface of half space due to the surface normal line load is presented. The theory includes both volumetric and surface energy terms. Boussinesq–Flamant problem in the strain gradient elasticity is solved by means of Fourier transform. The results obtained show that the vertical displacements of half space in the gradient elasticity are some different from that in the classical elasticity and the effects of the strain gradient parameters (material characteristic lengths) on the vertical displacements do exist.     

A novel atomistic approach to determine strain-gradient elasticity constants: Tabulation and comparison for various metals, semiconductors, silica, polymers and the (Ir) relevance for nanotechnologies

Strain-gradient elasticity is widely used as a suitable alternative to size-independent classical continuum elasticity to, at least partially, capture elastic size effects at the nanoscale. In this work, borrowing methods from statistical mechanics, we present mathematical derivations that relate the strain-gradient material constants to atomic displacement correlations in a molecular dynamics computational ensemble. Using the developed relations and numerical atomistic calculations, the strain-gradient constants are explicitly determined for some representative semiconductor, metallic, amorphous and polymeric materials. This method has the distinct advantage that amorphous materials can be tackled in a straightforward manner. For crystalline materials we also employ and compare results from both empirical and ab initio based lattice dynamics. Apart from carrying out a systematic tabulation of the relevant material parameters for various materials, we also discuss certain subtleties of strain-gradient elasticity, including: the paradox associated with the sign of the strain-gradient constants, physical reasons for low or high characteristic length scales associated with the strain-gradient constants, and finally the relevance (or the lack thereof) of strain-gradient elasticity for nanotechnologies.     

Exact Lévy-Type Solutions for Plate Bending Exist for Transversely Isotropic but Not for General Monoclinic Materials

An exact three-dimensional Lévy-type solution for the bending of an elastic slab is one in which there are edge loads only and the unknown displacement and stresses have very simple polynomial dependence on the thickness coordinate. Lévy obtained such a solution in 1877 for a linearly elastic, isotropic, plate-like body. The most general material that allows bending and stretching to be uncoupled is monoclinic (13 elastic constants). However, it is shown that only transversely isotropic materials (5 elastic constants) admit exact solutions having polynomial dependence in the thickness direction. Such solutions are listed explicitly.     

INVESTIGATIONS ON THE MECHANICAL CHARACTERISTICS OF NANOBEAMS BASED ON THE NONLOCAL STRAIN GRADIENT THEORY1)

基于非局部应变梯度理论,建立了一种具有尺度效应的高阶剪切变形纳米梁的力学模型. 其中,考虑了应变场和一阶应变梯度场下的非局部效应. 采用哈密顿原理推导了纳米梁的控制方程和边界条件,并给出了简支边界条件下静弯曲、自由振动和线性屈曲问题的纳维级数解. 数值结果表明,非局部效应对梁的刚度产生软化作用,应变梯度效应对纳米梁的刚度产生硬化作用,梁的刚度整体呈现软化还是硬化效应依赖于非局部参数与材料特征尺度的比值. 梁的厚度与材料特征尺度越接近,非局部应变梯度理论与经典弹性理论所预测结果之间的差异越显著.     

Size-dependent bending of thin metallic films

Size-dependent large curvature pure bending of thin metallic films has been analytically studied taking into account the associated strengthening mechanisms at different thickness scales. The classical plasticity theory is applicable to films thicker than 100 μm. Consequently, their bending capacity is governed by the competition between the material hardening and the thickness reduction. For films with a thickness ranging from fractions of a micron to a few microns, in addition to the above mechanisms, the strain gradient effect plays an important role and introduces an internal length scale. When the film thickness reduces to the nano-scale, the strain gradient effect is gradually replaced by the dominant surface stress/energy effect.     

Constitutive Equations of an Isotropic Hyperelastic Body

Stress—strain equations for an isotropic hyperelastic body are formulated. It is shown that the strain energy density whose gradient determines stresses can be defined as a function of two rather than three arguments, namely, strain–tensor invariants. In the case of small strains, the equations become relations of Hooke's law with two material constants, namely, shear modulus and bulk modulus.     

Determination of material intrinsic length and strain gradient hardening in microbending process

Microbending experiments of pure aluminum show that the springback angles increase with the decrease of foil thickness, which indicates obvious size effects and attributes to plastic strain gradient hardening. Then a constitutive model, taking into accounts both plastic strain and plastic strain gradient hardening, is proposed to analyze the microbending process of thin foil. The model is based on the relationship between shear yield stress and dislocation density, in which the material intrinsic length is related to material properties and average grain numbers along the characteristic scale direction of part. It is adopted in analytical model to calculate the non-dimensional bending moment and predict the springback angle after microbending. It is confirmed that the predictions by the proposed hardening model agree well with the experimental data, while those predicted by the classical plasticity model cannot capture such size effects. The contribution of plastic strain gradient increases with the decrease of foil thickness and is independent on the bending angle.     

Discontinuous bifurcation analysis in fracture energy-based gradient plasticity for concrete

Conditions for discontinuous bifurcation in limit states of selective non-local thermodynamically consistent gradient theory for quasi-brittle materials like concrete are evaluated by means of both geometrical and analytical procedures. This constitutive formulation includes two internal lengths, one related to the strain gradient field that considers the degradation of the continuum in the vicinity of the considered material point. The other characteristic length takes into account the material degradation in the form of energy release in the cracks during failure process evolution.The variation from ductile to brittle failure in quasi-brittle materials is accomplished by means of the pressure dependent formulation of both characteristic lengths as described by Vrech and Etse (2009).In this paper the formulation of the localization ellipse for constitutive theories based on gradient plasticity and fracture energy plasticity is proposed as well as the explicit solutions for brittle failure conditions in the form of discontinuous bifurcation. The geometrical, analytical and numerical analysis of discontinuous bifurcation condition in this paper are comparatively evaluated in different stress states and loading conditions.The included results illustrate the capabilities of the thermodynamically consistent selective non-local gradient constitutive theory to reproduce the transition from ductile to brittle and localized failure modes in the low confinement regime of concrete and quasi-brittle materials.     

Modelling of length scale effects in viscoelastic materials

A length scale dependent linear viscoelastic constitutive model is developed. First, a generalized Maxwell model that can describe standard linear viscoelasticity is considered. The model is then generalized to include effects of viscous strain gradients. The formulation of additional boundary conditions resulting from the strain gradient terms is discussed. It is shown that the boundary conditions can be formulated in terms of a surface energy. As an example, the thermal expansion of a thin polymeric film on an elastic substrate is analyzed. It is shown that the relative thermal expansion in the thickness direction of the film decreases for sufficiently small film thicknesses, in accordance with experimental observations. This effect cannot be captured by a standard thermo-viscoelastic theory, which gives a constant thermal expansion independent of film thickness.     

Gradient plasticity with the tangential-subloading surface model and the prediction of shear-band thickness of granular materials

An extended gradient elastoplastic constitutive equation is formulated, which is capable of describing the plastic strain rate due to the rate of stress inside the yield surface and the inelastic strain rate due to the stress rate component tangential to the subloading surface by incorporating the tangential-subloading surface model. Based on the extended constitutive equation, the post-localization analysis of granular materials is performed to predict the shear-band thickness. It is revealed that the shear-band thickness is almost determined by the gradient coefficient characterizing the inhomogeneity of deformation, although the stress–strain curve is strongly dependent on material properties.     

Influence of anisotropic elasticity on the mechanical properties of fivefold twinned nanowires

Previous atomistic simulations and experiments have shown an increased Young's modulus and yield strength of fivefold twinned (FT) face-centered cubic metal nanowires (NWs) when compared to single crystalline (SC) NWs of the same orientation. Here we report the results of atomistic simulations of SC and FT Ag, Al, Au, Cu and Ni NWs with diameters between 2 and 50 nm under tension and compression. The simulations show that the differences in Young's modulus between SC and FT NWs are correlated with the elastic anisotropy of the metal, with Al showing a decreased Young's modulus. We develop a simple analytical model based on disclination theory and constraint anisotropic elasticity to explain the trend in the difference of Young's modulus between SC and FT NWs. Taking into account the role of surface stresses and the elastic properties of twin boundaries allows to account for the observed size effect in Young's modulus. The model furthermore explains the different relative yield strengths in tension and compression as well as the material and loading dependent failure mechanisms in FTNWs.     

An atomistic and non-classical continuum field theoretic perspective of elastic interactions between defects (force dipoles) of various symmetries and application to graphene

Force multipoles are employed to represent various types of defects and physical phenomena in solids: point defects (interstitials, vacancies), surface steps and islands, proteins on biological membranes, inclusions, extended defects, and biological cell interactions among others. In the present work, we (i) as a prototype simple test case, conduct quantum mechanical calculations for mechanics of defects in graphene sheet and in parallel, (ii) formulate an enriched continuum elasticity theory of force dipoles of various anisotropies incorporating up to second gradients of strain fields (thus accounting for nonlocal dispersive effects) instead of the usual dispersion-less classical elasticity formulation that depends on just the strain (c.f. Peyla, P., Misbah, C., 2003. Elastic interaction between defects in thin and 2-D films. Eur. Phys. J. B. 33, 233-247). The fundamental Green's function is derived for the governing equations of second gradient elasticity and the elastic self and interaction energies between force dipoles are formulated for both the two-dimensional thin film and the three-dimensional case. While our continuum results asymptotically yield the same interaction energy law as Peyla and Misbah for large defect separations (∼1/rⁿ for defects with n-fold symmetry), the near-field interactions are qualitatively far more complex and free of singularities. Certain qualitative behavior of defect mechanics predicted by atomistic calculations are well captured by our enriched continuum models in contrast to classical elasticity calculations. For example, consistent with our atomistic calculations of defects in isotropic graphene, even two dilation centers show a finite interaction (as opposed to classical elasticity that predicts zero interaction). We explicitly find the physically consistent result that the self-energy of a defect is equivalent to half the interaction energy between two identical defects when they “merge” into each other. The atomistic, classical elastic and the enriched continuum predictions are thoroughly compared for two types of defects in graphene: Stone-Wales and divacancy.     

Vibration analysis of piezoelectric sandwich nanobeam with flexoelectricity based on nonlocal strain gradient theory

A nonlocal strain gradient theory(NSGT) accounts for not only the nongradient nonlocal elastic stress but also the nonlocality of higher-order strain gradients,which makes it benefit from both hardening and softening effects in small-scale structures.In this study, based on the NSGT, an analytical model for the vibration behavior of a piezoelectric sandwich nanobeam is developed with consideration of flexoelectricity. The sandwich nanobeam consists of two piezoelectric sheets and a non-piezoelectric core. The governing equation of vibration of the sandwich beam is obtained by the Hamiltonian principle. The natural vibration frequency of the nanobeam is calculated for the simply supported(SS) boundary, the clamped-clamped(CC) boundary, the clamped-free(CF)boundary, and the clamped-simply supported(CS) boundary. The effects of geometric dimensions, length scale parameters, nonlocal parameters, piezoelectric constants, as well as the flexoelectric constants are discussed. The results demonstrate that both the flexoelectric and piezoelectric constants enhance the vibration frequency of the nanobeam.The nonlocal stress decreases the natural vibration frequency, while the strain gradient increases the natural vibration frequency. The natural vibration frequency based on the NSGT can be increased or decreased, depending on the value of the nonlocal parameter to length scale parameter ratio.     

Bulk Cavitation and the Possibility of Localized Interface Deformation due to Surface Layer Swelling

We consider the uniform swelling of a compressible hyperelastic surface layer with finite thickness that is attached to an underlying bulk material composed of a non-swelling incompressible hyperelastic material. In addition to classically smooth solutions, two additional phenomena may occur for sufficiently large swelling. One is the formation of cavities in the interior of the underlying bulk material. The other is the disappearance of smooth solutions in the surface layer while the underlying bulk material remains intact. It is conjectured that the latter may be associated with the concentration of deformation at the swelling interface. Both phenomena are investigated by the consideration of solutions to a boundary value problem for a sphere involving radial deformation with a prescribed swelling field that acts as an effective loading device. Specific material models for both the compressible swollen surface layer and the non-swollen incompressible bulk are invoked so as to permit an analytical treatment. Swelling thresholds are obtained that depend on the thickness of the surface layer for the onset of these separate phenomena.     

The stiffness and strength of the gyroid lattice

Recently, a nanoscale lattice material, based upon the gyroid topology has been self-assembled by phase separation techniques (Scherer et al., 2012) and prototyped in thin film applications. The mechanical properties of the gyroid are reported here. It is a cubic lattice, with a connectivity of three struts per joint, and is bending-dominated in its elasto-plastic response to all loading states except for hydrostatic: under a hydrostatic stress it exhibits stretching-dominated behaviour. The three independent elastic constants of the lattice are determined through a unit cell analysis using the finite element method; it is found that the elastic and shear modulus scale quadratically with the relative density of the lattice, whereas the bulk modulus scales linearly. The plastic collapse response of a rigid, ideally plastic gyroid lattice is explored using the upper bound method, and is validated by finite element calculations for an elastic-ideally plastic lattice. The effect of geometrical imperfections, in the form of random perturbations to the joint positions, is investigated for both stiffness and strength. It is demonstrated that the hydrostatic modulus and strength are imperfection sensitive, in contrast to the deviatoric response. The macroscopic yield surface of the imperfect lattice is adequately described by a modified version of Hill’s anisotropic yield criterion. The article ends with a case study on the stress induced within a gyroid thin film, when the film and its substrate are subjected to a thermal expansion mismatch.