Dislocations in second strain gradient elasticity

A second strain gradient elasticity theory is proposed based on first and second gradients of the strain tensor. Such a theory is an extension of first strain gradient elasticity with double stresses. In particular, the strain energy depends on the strain tensor and on the first and second gradient terms of it. Using a simplified but straightforward version of this gradient theory, we can connect it with a static version of Eringen’s nonlocal elasticity. For the first time, it is used to study a screw dislocation and an edge dislocation in second strain gradient elasticity. By means of this second gradient theory it is possible to eliminate both strain and stress singularities. Another important result is that we obtain nonsingular expressions for the force stresses, double stresses and triple stresses produced by a straight screw dislocation and a straight edge dislocation. The components of the force stresses and of the triple stresses have maximum values near the dislocation line and are zero there. On the other hand, the double stresses have maximum values at the dislocation line. The main feature is that it is possible to eliminate all unphysical singularities of physical fields, e.g., dislocation density tensor and elastic bend-twist tensor which are still singular in the first strain gradient elasticity.     

Defects in gradient micropolar elasticity—I: screw dislocation

A gradient micropolar elasticity is proposed based on first gradients of distortion and bend-twist tensors for an isotropic micropolar medium. This theory is an extension of the theory of micropolar elasticity with couple stresses together with gradient elasticity in a way that in addition to hyper stresses, hyper couple stresses also appear. In particular, the strain energy, besides its dependence upon the distortion and bend-twist terms of a micropolar medium (Cosserat continuum), depends also on distortion and bend-twist gradients. Using a simplified but rigorous version of this gradient theory, we can connect it to Eringen's nonlocal micropolar elasticity. In addition, it is used to study a screw dislocation in gradient micropolar elasticity. One important result is that we obtained nonsingular expressions for the force and couple stresses. The components of the force stress have maximum values near the dislocation line and those of the couple stress have maximum values at the dislocation line.     

Defects in gradient micropolar elasticity—II: edge dislocation and wedge disclination

A theory of gradient micropolar elasticity based on first gradients of distortion and bend-twist tensors for an isotropic micropolar medium has been proposed in Part I of this paper. Gradient micropolar elasticity is an extension of micropolar elasticity such that in addition to double stresses double couple stresses also appear. The strain energy depends on the micropolar distortion and bend-twist terms as well as on distortion and bend-twist gradients. We use a version of this gradient theory which can be connected to Eringen's nonlocal micropolar elasticity. The theory is used to study a straight-edge dislocation and a straight-wedge disclination. As one important result, we obtained nonsingular expressions for the force and couple stresses. For the edge dislocation the components of the force stress have extremum values near the dislocation line and those of the couple stress have extremum values at the dislocation line and for the wedge disclination the components of the force stress have extremum values at the disclination line and those of the couple stress have extremum values near the disclination line.     

Analysis of plate in second strain gradient elasticity

The bending analysis of a thin rectangular plate is carried out in the framework of the second gradient elasticity. In contrast to the classical plate theory, the gradient elasticity can capture the size effects by introducing internal length. In second gradient elasticity model, two internal lengths are present, and the potential energy function is assumed to be quadratic function in terms of strain, first- and second-order gradient strain. Second gradient theory captures the size effects of a structure with high strain gradients more effectively rather than first strain gradient elasticity. Adopting the Kirchhoff’s theory of plate, the plane stress dimension reduction is applied to the stress field, and the governing equation and possible boundary conditions are derived in a variational approach. The governing partial differential equation can be simplified to the first gradient or classical elasticity by setting first or both internal lengths equal to zero, respectively. The clamped and simply supported boundary conditions are derived from the variational equations. As an example, static, stability and free vibration analyses of a simply supported rectangular plate are presented analytically.     

Uniqueness for plane crack problems in dipolar gradient elasticity and in couple-stress elasticity

The present work deals with the uniqueness theorem for plane crack problems in solids characterized by dipolar gradient elasticity. The theory of gradient elasticity derives from considerations of microstructure in elastic continua [Mindlin, R.D., 1964. Micro-structure in linear elasticity. Arch. Ration. Mech. Anal. 16, 51–78] and is appropriate to model materials with periodic structure. According to this theory, the strain-energy density assumes the form of a positive-definite function of the strain (as in classical elasticity) and the second gradient of the displacement (additional term). Specific cases of the general theory employed here are the well-known theory of couple-stress elasticity and the recently popularized theory of strain-gradient elasticity. These cases are also treated in the present study. We consider an anisotropic material response of the cracked plane body, within the linear version of gradient elasticity, and conditions of plane-strain or anti-plane strain. It is emphasized that, for crack problems in general, a uniqueness theorem more extended than the standard Kirchhoff theorem is needed because of the singular behavior of the solutions at the crack tips. Such a theorem will necessarily impose certain restrictions on the behavior of the fields in the vicinity of crack tips. In standard elasticity, a theorem was indeed established by Knowles and Pucik [Knowles, J.K., Pucik, T.A., 1973. Uniqueness for plane crack problems in linear elastostatics. J. Elast. 3, 155–160], who showed that the necessary conditions for solution uniqueness are a bounded displacement field and a bounded body-force field. In our study, we show that the additional (to the two previous conditions) requirement of a bounded displacement-gradient field in the vicinity of the crack tips guarantees uniqueness within the general form of the theory of dipolar gradient elasticity. In the specific cases of couple-stress elasticity and pure strain-gradient elasticity, the additional requirement is less stringent. This only involves a bounded rotation field for the first case and a bounded strain field for the second case.     

A dislocation density based strain gradient model

Strain gradients play a vital role in the prediction of size-effects in the deformation behavior of metals at the micrometer scale. At this scale the behavior of metals strongly depends on the dislocation distribution. In this paper, a dislocation density based strain gradient model is developed aiming at predictions of size-effects for structural components at this scale. For this model, the characteristic length is identified as the average distance of dislocation motion, which is deformation dependant and can be determined experimentally. The response of the model is compared to the strain gradient plasticity model of Huang et al. [Huang, Y., Qu, S., Hwang, K.C., Li, M., Gao, H., 2004. A conventional theory of mechanism-based strain gradient plasticity. Int. J. Plasticity 20, 753–782]. It is shown that the present strain gradient model, which only requires a physically measurable length-scale, can successfully predict size effects for a bar with an applied body force and for void growth.     

Modeling of polycrystals using a gradient crystal plasticity theory that includes dissipative micro-stresses

This study investigates thermodynamically consistent dissipative hardening in gradient crystal plasticity in a large-deformation context. A viscoplastic model which accounts for constitutive dependence on the slip, the slip gradient as well as the slip rate gradient is presented. The model is an extension of that due to Gurtin (Gurtin, M. E., J. Mech. Phys. Solids, 52 (2004) 2545–2568 and Gurtin, M. E., J. Mech. Phys. Solids, 56 (2008) 640–662)), and is guided by the viscoplastic model and algorithm of Ekh et al. (Ekh, M., Grymer, M., Runesson, K. and Svedberg, T., Int. J. Numer. Meths Engng, 72 (2007) 197–220) whose governing equations are equivalent to those of Gurtin for the purely energetic case. In contrast to the Gurtin formulation and in line with that due to Ekh et al., viscoplasticity in the present model is accounted for through a Perzyna-type regularization. The resulting theory includes three different types of hardening: standard isotropic hardening is incorporated as well as energetic hardening driven by the slip gradient. In addition, as a third type, dissipative hardening associated with plastic strain rate gradients is included. Numerical computations are carried out and discussed for the large strain, viscoplastic model with non-zero dissipative backstress.     

On the Stress Field of a Nonlinear Elastic Solid Torus with a Toroidal Inclusion

Standard measures of local deformation such as deformation gradient, strain, elastic deformation, and plastic deformation are dimensionless. However, many macroscopic and submacroscopic geometrical changes observed in continuous bodies result in the formation of zones across whose boundaries significant changes in geometry can occur. In order to predict the sizes of such zones and their influence on material response, theories of elasticity and plasticity have been employed in which second gradients of deformation, gradients of strain, as well as gradients of elastic or of plastic deformation are taken into account. The theory of structured deformations provides additive decompositions of first deformation gradient and of second deformation gradient, valid for large deformations of any material, in which each term has a multiscale geometrical interpretation corresponding to the presence or absence of submacroscopic disarrangements (non-smooth geometrical changes such as slips and void formation). This article provides a field theory that broadens the earlier field theory, elasticity with disarrangements, by including energetic contributions from submacroscopic “gradient-disarrangements” (limits of averages of jumps in gradients of approximating deformations) and by treating particular kinematical conditions as internal constraints. An explicit formula is obtained showing the manner in which submacroscopic gradient-disarrangements determine a defectiveness density analogous to the dislocation density in theories of plasticity. A version of the new field theory incorporates this defectiveness density to obtain a counterpart of strain-gradient plasticity, while another instance of elasticity with gradient-disarrangements recovers an instance of strain-gradient elasticity with symmetric Cauchy stress. All versions of the new theory included here are compatible with the Second Law of Thermodynamics.     

A second strain gradient elasticity theory with second velocity gradient inertia – Part II: Dynamic behavior

This paper is the sequel of a companion Part I paper devoted to the constitutive equations and to the quasi-static behavior of a second strain gradient material model with second velocity gradient inertia. In the present Part II paper, a multi-cell homogenization procedure (developed in the Part I paper) is applied to a nonhomogeneous body modelled as a simple material cell system, in conjunction with the principle of virtual work (PVW) for inertial actions (i.e. momenta and inertia forces), which at the macro-scale level takes on the typical format as for a second velocity gradient inertia material model. The latter (macro-scale) PVW is used to determine the equilibrium equations relating the (ordinary, double and triple) generalized momenta to the inertia forces. As a consequence of the surface effects, the latter inertia forces include (ordinary) inertia body forces within the bulk material, as well as (ordinary and double) inertia surface tractions on the boundary layer and (ordinary) inertia line tractions on the edge line rod; they all depend on the acceleration in a nonstandard way, but the classical laws are recovered in the case of no higher order inertia. The classical linear and angular momentum theorems are extended to the present context of second velocity gradient inertia, showing that the extended theorems—used in conjunction with the Cauchy traction theorem—lead to the local force and moment (stress symmetry) motion equations, just like for a classical continuum. A gradient elasticity theory is proposed, whereby the dynamic evolution problem for assigned initial and boundary conditions is shown to admit a Hamilton-type variational principle; the uniqueness of the solution is also discussed. A few simple applications to wave propagation and dispersion problems are presented. The paper indicates the correct way to describe the inertia forces in the presence of higher order inertia; it extends and improves previous findings by the author [Polizzotto, C., 2012. A gradient elasticity theory for second-grade materials and higher order inertia. Int. J. Solids Struct. 49, 2121–2137]. Overall conclusions are drawn at the end of the paper.     

A higher-order nonlocal elasticity and strain gradient theory and its applications in wave propagation

In recent years there have been many papers that considered the effects of material length scales in the study of mechanics of solids at micro- and/or nano-scales. There are a number of approaches and, among them, one set of papers deals with Eringen's differential nonlocal model and another deals with the strain gradient theories. The modified couple stress theory, which also accounts for a material length scale, is a form of a strain gradient theory. The large body of literature that has come into existence in the last several years has created significant confusion among researchers about the length scales that these various theories contain. The present paper has the objective of establishing the fact that the length scales present in nonlocal elasticity and strain gradient theory describe two entirely different physical characteristics of materials and structures at nanoscale. By using two principle kernel functions, the paper further presents a theory with application examples which relates the classical nonlocal elasticity and strain gradient theory and it results in a higher-order nonlocal strain gradient theory. In this theory, a higher-order nonlocal strain gradient elasticity system which considers higher-order stress gradients and strain gradient nonlocality is proposed. It is based on the nonlocal effects of the strain field and first gradient strain field. This theory intends to generalize the classical nonlocal elasticity theory by introducing a higher-order strain tensor with nonlocality into the stored energy function. The theory is distinctive because the classical nonlocal stress theory does not include nonlocality of higher-order stresses while the common strain gradient theory only considers local higher-order strain gradients without nonlocal effects in a global sense. By establishing the constitutive relation within the thermodynamic framework, the governing equations of equilibrium and all boundary conditions are derived via the variational approach. Two additional kinds of parameters, the higher-order nonlocal parameters and the nonlocal gradient length coefficients are introduced to account for the size-dependent characteristics of nonlocal gradient materials at nanoscale. To illustrate its application values, the theory is applied for wave propagation in a nonlocal strain gradient system and the new dispersion relations derived are presented through examples for wave propagating in Euler–Bernoulli and Timoshenko nanobeams. The numerical results based on the new nonlocal strain gradient theory reveal some new findings with respect to lattice dynamics and wave propagation experiment that could not be matched by both the classical nonlocal stress model and the contemporary strain gradient theory. Thus, this higher-order nonlocal strain gradient model provides an explanation to some observations in the classical and nonlocal stress theories as well as the strain gradient theory in these aspects.     

Torsional surface waves in a gradient-elastic half-space

The present work deals with torsional wave propagation in a linear gradient-elastic half-space. More specifically, we prove that torsional surface waves (i.e. waves with amplitudes exponentially decaying with distance from the free surface) do exist in a homogeneous gradient-elastic half-space. This finding is in contrast with the well-known result of the classical theory of linear elasticity that torsional surface waves do not exist in a homogeneous half-space. The weakness of the classical theory, at this point, is only circumvented by modeling the half-space as having material properties variable with depth (E. Meissner, Elastische Oberflachenwellen mit Dispersion in einem inhomogenen Medium, Vierteljahrsschrift der Naturforschenden Gesellschaft in Zurich 66 (1921) 181–195; I. Vardoulakis, Torsional surface waves in inhomogeneous elastic media, Internat. J. Numer. Anal. Methods Geomech. 8 (1984) 287–296; G.A. Maugin, Shear horizontal surface acoustic waves on solids, in: D.F. Parker, G.A. Maugin (Eds.), Recent Developments in Surface Acoustic Waves, Springer Series on Wave Phenomena, vol. 7, Springer, Berlin, 1988, pp. 158–172), as a layered structure (Maugin, 1988; E. Reissner, Freie und erzwungene Torsionsschwingungen des elastischen Halbraumes, Ingenieur-Archiv 8 (1937) 229–245) or by considering couplings with electric and magnetic fields for different types of materials (Maugin, 1988). The theory employed here is the simplest possible version of Mindlin’s (R.D. Mindlin, Micro-structure in linear elasticity, Arch. Rat. Mech. Anal. 16 (1964) 51–78) generalized linear elasticity. A simple wave-propagation analysis based on Hankel transforms and complex-variable theory was done in order to determine the conditions for the existence of the torsional surface motions and to derive dispersion curves and cut-off frequencies. Also, we notice that, up to date, no other generalized linear continuum theory (including the integral-type non-local theory) has successfully been proposed to predict torsional surface waves in a homogeneous half-space.     

The coupled effects of plastic strain gradient and thermal softening on the dynamic growth of voids

This paper examines the combined effects of temperature, strain gradient and inertia on the growth of voids in ductile fracture. A dislocation-based gradient plasticity theory [J. Mech. Phys. Solids 47 (1999) 1239, J. Mech. Phys. Solids 48 (2000) 99] is applied, and temperature effects are incorporated. Since a strong size-dependence is introduced into the dynamic growth of voids through gradient plasticity, a cut-off size is then set by the stress level of the applied loading. Only those voids that are initially larger than the cut-off size can grow rapidly. At the early stages of void growth, the effects of strain gradients greatly increase the stress level. Therefore, thermal softening has a strong effect in lowering the threshold stress for the unstable growth of voids. Once the voids start rapid growth, however, the influence of strain gradients will decrease, and the rate of dynamic void growth predicted by strain gradient plasticity approaches that predicted by classical plasticity theories.     

Problems of the Flamant–Boussinesq and Kelvin Type in Dipolar Gradient Elasticity

This work studies the response of bodies governed by dipolar gradient elasticity to concentrated loads. Two-dimensional configurations in the form of either a half-space (Flamant–Boussinesq type problem) or a full-space (Kelvin type problem) are treated and the concentrated loads are taken as line forces. Our main concern is to determine possible deviations from the predictions of plane-strain/plane-stress classical linear elastostatics when a more refined theory is employed to attack the problems. Of special importance is the behavior of the new solutions near to the point of application of the loads where pathological singularities and discontinuities exist in the classical solutions. The use of the theory of gradient elasticity is intended here to model material microstructure and incorporate size effects into stress analysis in a manner that the classical theory cannot afford. A simple but yet rigorous version of the generalized elasticity theories of Toupin (Arch. Ration. Mech. Anal. 11:385–414, 1962) and Mindlin (Arch. Ration. Mech. Anal. 16:51–78, 1964) is employed that involves an isotropic linear response and only one material constant (the so-called gradient coefficient) additional to the standard Lamé constants (Georgiadis et al., J. Elast. 74:17–45, 2004). This theory, which can be viewed as a first-step extension of the classical elasticity theory, assumes a strain-energy density function, which besides its dependence upon the standard strain terms, depends also on strain gradients. The solution method is based on integral transforms and is exact. The present results show departure from the ones of the classical elasticity solutions (Flamant–Boussinesq and Kelvin plane-strain solutions). Indeed, continuous and bounded displacements are predicted at the points of application of the loads. Such a behavior of the displacement fields is, of course, more natural than the singular behavior present in the classical solutions.      

A symmetric over-nonlocal microplane model M4 for fracture in concrete

This paper analyzes the effectiveness of a nonlocal integral-type formulation of a constitutive law such as microplane model M4 in which the yield limits soften as a function of the total strain for prediction of fracture propagation. For a correct regularization of the mathematical problems caused by the softening behavior, an “over-nonlocal” generalization of the type proposed by Vermeer and Brinkgreve [Vermeer, P.A., Brinkgreve, R.B.J., 1994. A new effective non-local strain measure for softening plasticity. In: Chambon, R., Desrues, J., Vardoulakis, I. (Eds.), Localization and Bifurcation Theory for Soil and Rocks, Balkema, Rotterdam, pp. 89–100.] is adopted. Moreover, the symmetric weight function, proposed by Borino et al. [Borino, G. Failla, B., Parrinello, F., 2003. A symmetric nonlocal damage theory. International Journal of Solids and Structure 40, 3621–3645.] for damage mechanics, is introduced for the calculation of the nonlocal averaging of the total strain upon which the yield limits depend. The capability of the proposed model for reproducing the stress and strain fields in the vicinity of a notch is also investigated. Finally, the symmetric over-nonlocal generalization of microplane model M4 has been applied for the simulation of a mixed-mode fracture test such as the four-point-shear test and the test of axial tension at constant shear force [Nooru-Mohamend, M.B., 1992. Mixed-mode fracture of concrete: an experimental approach. Doctoral Thesis Delft University of Thechnology, Delft, The Netherlands.]     

An elasto-plastic theory of dislocation and disclination fields

A linear theory of the elasto-plasticity of crystalline solids based on a continuous representation of crystal defects – dislocations and disclinations – is presented. The model accounts for the translational and rotational aspects of lattice incompatibility, respectively associated with the presence of dislocations and disclinations. The defects content relates to the incompatible plastic strain and curvature tensors. The stress state is described by using the conjugate variables to strain and curvature, i.e., the stress and couple-stress tensors. Defect motion is described by two transport equations. A dynamic interplay between dislocations and disclinations results from a disclination-induced source term in the transport of dislocations. Thermodynamic guidance provides the driving forces conjugate to dislocation and disclination velocity in a continuous context, as well as admissible constitutive relations for the latter. When dislocation and disclination velocity vanish, the model reduces to deWit’s elasto-static theory of crystal defects. It also reduces to Acharya’s linear elasto-plastic theory for dislocation fields when the disclination density is ignored. The theory is intended for use in instances where rotational defects matter, such as grain boundaries. To illustrate its applicability, a finite high-angle tilt boundary is modeled using a disclination dipole and its behavior under tensile loading normal to the boundary is shown.     

Distribution based model for the grain boundaries in polycrystalline plasticity

This contribution focuses on the development of constitutive models for the grain boundary region between two crystals, relying on the dislocation based polycrystalline model documented in (Evers, L.P., Parks, D.M., Brekelmans, W.A.M., Geers, M.G.D., 2002. Crystal plasticity model with enhanced hardening by geometrically necessary dislocation accumulation. J. Mech. Phys. Solids 50, 2403–2424; Evers, L.P., Brekelmans, W.A.M., Geers, M.G.D., 2004a. Non-local crystal plasticity model with intrinsic SSD and GND effects. J. Mech. Phys. Solids 52, 2379–2401; Evers, L.P., Brekelmans, W.A.M., Geers, M.G.D., 2004b. Scale dependent crystal plasticity framework with dislocation density and grain boundary effects. Int. J. Solids Struct. 41, 5209–5230). The grain boundary is first viewed as a geometrical surface endowed with its own fields, which are treated here as distributions from a mathematical point of view. Regular and singular dislocation tensors are introduced, defining the grain equilibrium, both in the grain core and at the boundary of both grains. Balance equations for the grain core and grain boundary are derived, that involve the dislocation density distribution tensor, in both its regular and singular contributions. The driving force for the motion of the geometrically necessary dislocations is identified from the pull-back to the lattice configuration of the quasi-static balance of momentum, that reveals the duality between the stress and the curl of the elastic gradient. Criteria that govern the flow of mobile geometrically necessary dislocations (GNDs) through the grain boundary are next elaborated on these bases. Specifically, the sign of the projection of a lattice microtraction on the glide velocity defines a necessary condition for the transmission of incoming GNDs, thereby rendering the set of active slip systems for the glide of outgoing dislocations. Viewing the grain boundary as adjacent bands in each grain with a constant GND density in each, the driving force for the grain boundary slip is further expressed in terms of the GND densities and the differently oriented slip systems in each grain. A semi-analytical solution is developed in the case of symmetrical slip in a bicrystal under plane strain conditions. It is shown that the transmission of plastic slip occurs when the angle made by the slip direction relative to the grain boundary normal is less than a critical value, depending on the ratio of the GND densities and the orientation of the transmitted dislocations.     

A conventional theory of mechanism-based strain gradient plasticity

There exist two frameworks of strain gradient plasticity theories to model size effects observed at the micron and sub-micron scales in experiments. The first framework involves the higher-order stress and therefore requires extra boundary conditions, such as the theory of mechanism-based strain gradient (MSG) plasticity [J Mech Phys Solids 47 (1999) 1239; J Mech Phys Solids 48 (2000) 99; J Mater Res 15 (2000) 1786] established from the Taylor dislocation model. The other framework does not involve the higher-order stress, and the strain gradient effect come into play via the incremental plastic moduli. A conventional theory of mechanism-based strain gradient plasticity is established in this paper. It is also based on the Taylor dislocation model, but it does not involve the higher-order stress and therefore falls into the second strain gradient plasticity framework that preserves the structure of conventional plasticity theories. The plastic strain gradient appears only in the constitutive model, and the equilibrium equations and boundary conditions are the same as the conventional continuum theories. It is shown that the difference between this theory and the higher-order MSG plasticity theory based on the same dislocation model is only significant within a thin boundary layer of the solid.     

A second strain gradient elasticity theory with second velocity gradient inertia – Part I: Constitutive equations and quasi-static behavior

A multi-cell homogenization procedure with four geometrically different groups of cell elements (respectively for the bulk, the boundary surface, the edge lines and the corner points of a body) is envisioned, which is able not only to extract the effective constitutive properties of a material, but also to assess the “surface effects” produced by the boundary surface on the near bulk material. Applied to an unbounded material in combination with the thermodynamics energy balance principles, this procedure leads to an equivalent continuum constitutively characterized by (ordinary, double and triple) generalized stresses and momenta. Also, applying this procedure to a (finite) body suitably modelled as a simple material cell system, in association with the principle of the virtual power (PVP) for quasi-static actions, an equivalent structural system is derived, featured by a (macro-scale) PVP having the typical format as for a second strain gradient material model. Due to the surface effects, the latter model does work as a combination of two subsystems, i.e. the bulk material behaving as a Cauchy continuum, and the boundary surface operating as a membrane-like boundary layer, each subsystem being in (local and global) equilibrium by its own. Further, the applied (ordinary) boundary traction splits into two (response-dependent) parts, i.e. the “Cauchy traction” transmitted to the bulk material and the “Gurtin–Murdoch traction” acting, together with all other boundary tractions, upon the boundary layer. The role of the boundary layer as a two-dimensional manifold enclosing a Cauchy continuum is elucidated, also with the aid of a discrete model. A strain gradient elasticity theory is proposed which includes a minimum total potential energy principle featuring the relevant boundary-value problem for quasi-static loads and its (unique) solution. A simple application is presented. Two appendices are included, one reports the proof of the global equilibrium of the boundary layer, the other is concerned with double and triple stresses. The paper is complemented by a companion Part II one on dynamics. Previous findings by the author [Polizzotto, C., 2012. A gradient elasticity theory for second-grade materials and higher order inertia. Int. J. Solids Struct. 49, 2121–2137] are improved and extended.     

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.