Discrete dislocation plasticity analysis of the wedge indentation of films

The plane strain indentation of single crystal films on a rigid substrate by a rigid wedge indenter is analyzed using discrete dislocation plasticity. The crystals have three slip systems at ±35.3^° and 90^° with respect to the indentation direction. The analyses are carried out for three values of the film thickness, 2, 10 and , and with the dislocations all of edge character modeled as line singularities in a linear elastic material. The lattice resistance to dislocation motion, dislocation nucleation, dislocation interaction with obstacles and dislocation annihilation are incorporated through a set of constitutive rules. Over the range of indentation depths considered, the indentation pressure for the 10 and thick films decreases with increasing contact size and attains a contact size-independent value for contact lengths . On the other hand, for the films, the indentation pressure first decreases with increasing contact size and subsequently increases as the plastic zone reaches the rigid substrate. For the 10 and thick films sink-in occurs around the indenter, while pile-up occurs in the film when the plastic zone reaches the substrate. Comparisons are made with predictions obtained from other formulations: (i) the contact size-independent indentation pressure is compared with that given by continuum crystal plasticity; (ii) the scaling of the indentation pressure with indentation depth is compared with the relation proposed by Nix and Gao [1998. Indentation size effects in crystalline materials: a law for strain gradient plasticity. J. Mech. Phys. Solids 43, 411-423]; and (iii) the computed contact area is compared with that obtained from the estimation procedure of Oliver and Pharr [1992. An improved technique for determining hardness and elastic-modulus using load and displacement sensing indentation experiments, J. Mater. Res. 7, 1564-1583].     

Discrete mechanics and the Finite Element Method

Summary We explore applications of the Finite Element Method (FEM) to both Veselov and Lee discrete mechanics in this paper. Based on the FEM, disretizations of continuous Lagrangians are developed and corresponding integrators are obtained. Error estimates for variational integrators are also given. This work is supported by the National Natural Science Foundation of China (grant Nos. 90103004, 10171096) and the National Key Project for Basic Research of China (G1998030601).     

Discrete dislocation plasticity analysis of the grain size dependence of the flow strength of polycrystals

The grain size dependence of the flow strength of polycrystals is analyzed using plane strain, discrete dislocation plasticity. Dislocations are modeled as line singularities in a linear elastic solid and plasticity occurs through the collective motion of large numbers of dislocations. Constitutive rules are used to model lattice resistance to dislocation motion, as well as dislocation nucleation, dislocation annihilation and the interaction with obstacles. The materials analyzed consist of micron scale grains having either one or three slip systems and two types of grain arrangements: either a checker-board pattern or randomly dispersed with a specified volume fraction. Calculations are carried out for materials with either a high density of dislocation sources or a low density of dislocation sources. In all cases, the grain boundaries are taken to be impenetrable to dislocations. A Hall–Petch type relation is predicted with Hall–Petch exponents ranging from ≈0.3 to ≈1.6 depending on the number of slip systems, the grain arrangement, the dislocation source density and the range of grain sizes to which a Hall–Petch expression is fit. The grain size dependence of the flow strength is obtained even when no slip incompatibility exists between grains suggesting that slip blocking/transmission governs the Hall–Petch effect in the simulations.     

Surface versus bulk nucleation of dislocations during contact

The indentation of single crystals by a periodic array of flat rigid contacts is analyzed using discrete dislocation plasticity. Plane strain analyses are carried out with the dislocations all of edge character and modeled as line singularities in a linear elastic solid. The limiting cases of frictionless and perfectly sticking contacts are considered. The effects of contact size, dislocation source density, and dislocation obstacle density and strength on the evolution of the mean indentation pressure are explored, but the main focus is on contrasting the response of crystals having dislocation sources on the surface with that of crystals having dislocation sources in the bulk. When there are only bulk sources, the mean contact pressure for sufficiently large contacts is independent of the friction condition, whereas for sufficiently small contact sizes, there is a significant dependence on the friction condition. When there are only surface dislocation sources the mean contact pressure increases much more rapidly with indentation depth than when bulk sources are present and the mean contact pressure is very sensitive to the strength of the obstacles to dislocation glide. Also, on unloading a layer of tensile residual stress develops when surface dislocation sources dominate.     

Causal Stroh formalism for uniformly-moving dislocations in anisotropic media: Somigliana dislocations and Mach cones

In this work, Stroh’s formalism is endowed with causal properties on the basis of an analysis of the radiation condition in the Green tensor of the elastodynamic wave equation. The modified formalism is applied to dislocations moving uniformly in an anisotropic medium. In practice, accounting for causality amounts to a simple analytic continuation procedure whereby to the dislocation velocity is added an infinitesimal positive imaginary part. This device allows for a straightforward computation of velocity-dependent field expressions that are valid whatever the dislocation velocity–including supersonic regimes–without needing to consider subsonic and supersonic cases separately. As an illustration, the distortion field of a Somigliana dislocation of the Peierls–Nabarro–Eshelby-type with finite-width core is computed analytically, starting from the Green’s tensor of elastodynamics. To obtain the result in the form of a single compact expression, use of the modified Stroh formalism requires splitting the Green’s function into its reactive and radiative parts. In supersonic regimes, the solution obtained displays Mach cones, which are supported by Dirac measures in the Volterra limit. From these results, an explanation of Payton’s ‘backward’ Mach cones (Payton, 1995) is given in terms of slowness surfaces, and a simple criterion for their existence is derived. The findings are illustrated by full-field calculations from analytical formulas for a dislocation of finite width in iron, and by Huygens-type geometric constructions of Mach cones from ray surfaces.     

Nonlocal stress field of interface dislocations

Summary The basic theory of nonlocal elasticity is stated with emphasis on the difference between the nonlocal theory and classical continuum mechanics. The concept of Nonlocal Interface Residual (NIR) is introduced in nonlocal theory. With the concept of NIR and the nonlocal constitutive equation, we calculate nonlocal stresses due to an edge dislocation on the interface of bi-materials. The nonlocal stress distribution along an interface is quite different from the classical one. Instead of the singularity in the dislocation core, nonlocal stress gives a finite value in the core. A maximum of the stress is also found near the dislocation core. Received 27 May 1997; accepted for publication 1 July 1997     

Continuum theory of dislocations revisited

The paper continues the discussion of continuum theory of dislocations suggested by Berdichevsky and Sedov (PMM 31(6): 981–1000, 1967). The major new points are: the choice of energy, the variational form of the governing dynamical equations, the variational principle for the final plastic state.     

Edge dislocations generated from blunt crack tip in viscoelastic material under residual stress

The 2D model of edge dislocations generation from blunt crack tip in viscoelastic material under residual stress has been proposed, the solution of stress field and displacement field are solved by using complex potential method, conformal mapping and Laplace inverse transformation. The explicit expressions of stress intensity factor, strain energy density and crack tip slide displacement are obtained in closed form. The principle of compatibility of blunt crack to edge dislocations has been used to evaluate the dislocations number and dimensionless ratio α. Numerical results present that the number of edge dislocations first increases and then decreases with increase of zone size ratio of the dislocations zone and none-dislocations zone, but it can be reduced by higher configurations ratio of semi-minor axis and semi-major axis. In addition, it increases with time and tends to be a constant quickly. The normalized multiplier α first increases and then decreases with increase of zone size ratio. In addition, it decreases with time and the increase of crack configurations ratio. Both normalized micro-volume SED and normalized dislocation-volume SED decrease with increase of distance from crack tip and tend to vanish. But the dislocation-volume SED decreases more quickly than micro-volume SED does, because of its stronger singularity. Moreover, they increase with time and decrease of configurations ratio.     

Application of Discrete Element Method for Continuum Dynamic Problems

A new method based on the principle of minimum potential energy is presented, aiming to overcome some weakness of the present discrete element method (DEM). Our primary research is to put forward the DEM with a tight theory base and a fit technique for treating continuum dynamic problems. By using this method, we can not only extend the existing seven-disc model, but also establish a new nine-disc model in a general way. Moreover, the equivalences of two kinds of models have been verified. In addition, three numerical examples of stress wave propagation problems are given in order to validate accuracy and efficiency of the present DEM models and their algorithms. Finally, the dynamic stress concentration problem of a square plate with a circular hole is analyzed.This work was supported by Nation Natural Science Foundation of China (nos. 10232040 and 10572002).     

Screw dislocations and an interfacial blunt crack with viscoelastic interface

This work deals with the influence of Kelvin-type viscoelastic interface on the generation of screw dislocations near the interfacial blunt crack tip in light of a pair of concentrated loads. The stress fields for dislocation and concentrated load have been obtained by using the integral transform and conformal mapping, the stress intensity factor have been studied, the image force acting on dislocation has been analyzed. The region r_b where n screw dislocations are generated by a pair of concentrated loads and dislocation number are obtained by displacement compatibility and stress compatibility conditions of self-consistent and self-equilibrated systems. The results show that: the force acting on dislocation starts with the value that a perfectly bonded interface, then with relaxation of the imperfect interface; the shield effect for dislocation decreases as time goes by; in addition, with time elapsing, the influence of material shear modulus rate on shielding effect becomes weaker and weaker. The scale of multiplier α(r_b/a) increases with relaxation of imperfect interface, the larger ratio of crack geometry c/a and the smaller ratio of shear modulus μ₁/μ₂ will lead the higher scale of multiplier. When μ₁/μ₂ = 1, the screw dislocations number first increases and then decreases with relaxation of imperfect interface, In addition, it possesses the highest value at t₀ ≈ 1 and tends to vanish at t₀ = ∞. When μ₁ < μ₂, the screw dislocations number increases with relaxation of imperfect interface. When μ₁ > μ₂, the screw dislocations number first increases then decreases with relaxation of imperfect interface, and possesses the highest value at t₀ ≈ 1, the negative value are exclude from the discussion.     

Piezoelectric screw dislocations interacting with a circular inclusion with imperfect interface

The electroelastic coupling interaction between multiple screw dislocations and a circular inclusion with an imperfect interface in a piezoelectric solid is investigated. The appointed screw dislocation may be located either outside or inside the inclusion and is subjected to a line charge and a line force at the core. The analytic solutions of electroelastic fields are obtained by means of the complex-variable method. With the aid of the generalized Peach–Koehler formula, the explicit expressions of image forces exerted on the piezoelectric screw dislocations are derived. The motion and the equilibrium position of the appointed screw dislocation near the circular interface are discussed for variable parameters (interface imperfection, material electroelastic mismatch, and dislocation position), and the influence of the nearby parallel screw dislocations is also considered. It is found that the piezoelectric screw dislocation is always attracted by the electromechanical imperfect interface. When the interface imperfection is strong, the impact of material electroelastic mismatch on the image force and the equilibrium position of the dislocation becomes weak. Additionally, the effect of the nearby dislocations on the mobility of the appointed dislocation is very important.     

Energy barrier for configurational transformation of graphene nanoribbon on nanotube

A graphene nanoribbon (GNR) has two basic configurations when winding on the outer surface of a carbon nanotube (CNT): helix and scroll. Here the transformation between the two configurations is studied utilizing molecular dynamics simulations. The energy barrier during the transformation as well as its relationship with the interfacial energy and the radius of CNT are investigated. Our work offers further insights into the formation of desirable helix/scroll of GNR winding on nanotubes or nanowires, and thus can enable novel design of potential graphene-based electronics.     

Theoretical study of the generation of screw dislocations for Rayleigh and Lamb waves in isotropic solids

Phase singularities are generic structures which occur in all wave fields, and they are characterised by an inability to assign a value to the phase. Screw dislocations are a particular kind of phase singularity where the phase possesses a helical structure, with the singularity at the centre of the helix. In this paper we show that it is possible to generate screw dislocations on the surface of elastic isotropic solids by means of the interference of three Rayleigh waves or three Lamb waves. The dispersive character of Lamb waves leads to more complicated behaviour, which may in turn result in greater potential for applications.     

Interaction between edge dislocations and amorphous interphase in carbon nanotubes reinforced metal matrix nanocomposites incorporating interface effect

Dislocations mobility and stability in the carbon nanotubes (CNTs)-reinforced metal matrix nanocomposites (MMNCs) can significantly affect the mechanical properties of the composites. However, current processing techniques often lead to the formation of coated CNT (amorphous interphase exists between the reinforcement and metal matrix), which have large impact upon the image force exerting on dislocations. Even though the importance of the interphase zone formed in metal matrix composites has been demonstrated by many studies for elastic properties, the influence of interphase on the local elastoplastic behavior of CNT-reinforced MMNCs is still an open issue. This paper puts forward a three-phase composite cylinder model with new boundary conditions. In this model, the interaction between edge dislocations and a coated CNT incorporating interface effect is investigated. The explicit expressions for the stress fields and the image force acting on an edge dislocation are proposed. In addition, plastic flow occurring around the coated reinforcement is addressed. The influences of interface condition and the material properties of coated CNT on the glide/climb force are clearly analyzed. The results indicate that the interface effect becomes remarkable when the radius of the coated reinforcement is below 10 nm. In addition, different from the traditional particles, the coated CNT attracts the adjacent edge dislocations, causing pronounced local hardening at the interface between the interphase and the metal matrix under certain conditions. It is concluded that the presence of the interphase can have a profound effect on the local stress field in CNT-reinforced MMNCs. Finally, the condition of the dislocations stability and the equilibrium numbers of dislocations at a given size grain are evaluated for considering the interface effect.     

Effects of interface dislocations on properties of ferroelectric thin films

Effects of interfacial dislocations on properties of thin-film ferroelectric materials, such as the self-polarization distribution, Curie temperature, dielectric constant and the switching behaviors, are investigated via the system dynamics based on the Landau-Devonshire functional. Dislocation generation in the film is found to reduce the overall self-polarization and the Curie temperature. The spatial variations are both very strong, particularly in the immediate neighborhood of the dislocation cores. In agreement with previous results based on a stationary model, a dead layer exists near the film/substrate interface, in which the average self-polarization is much reduced. Moreover, it is evident from our results that interface dislocations play an important role in suppressing the remnant polarization and the coercive field of the polarization.     

Buckling analysis of pristine and defected graphene

The buckling behavior of monolayer graphene (pristine and vacancy-defected) and bilayer graphene (pristine) loaded in the armchair direction was simulated for different boundary conditions using a truss FE model, representing the exact atomic lattice of graphene, and a FE model of an equivalent 2D plate. The critical buckling stress of pristine monolayer graphene was derived as a function of aspect ratio. The results from the two FE models coincide and are in very good agreement with established analytical solutions. With increasing the aspect ratio, the critical buckling stress of monolayer graphene decreases until the value of 2 from which the effect starts to diminish. Using the truss FE model, the effect of randomly dispersed vacancies on the critical buckling stress and buckling mode of monolayer graphene was studied. It was found that the critical buckling stress decreases dramatically with increasing the defect density: for a defect density of 10%, the critical buckling stress decreases by almost 50%. Moreover, the presence of defects was found to affect the highest buckling modes (above 3) even at low densities. Bilayer graphene has a totally different critical buckling stress than monolayer graphene due to the effect of van der Waals forces which depends on the applied boundary conditions.     

Discrete element method analysis of single wheel performance for a small lunar rover on sloped terrain

The purpose of this study is to analyze the performance of a lugged wheel for a lunar micro rover on sloped terrain by a 2D discrete element method (DEM), which was initially developed for horizontal terrain. To confirm the applicability of DEM for sloped terrain locomotion, the relationships of slope angle with slip, wheel sinkage and wheel torque obtained by DEM, were compared with experimental results measured using a slope test bed consisting of a soil bin filled with lunar regolith simulant. Among the lug parameters investigated, a lugged wheel with rim diameter of 250 mm, width of 100 mm, lug height of 10 mm, lug thickness of 5 mm, and total lug number of 18 was found, on average, to perform excellently in terms of metrics, such as slope angle for 20% slip, power number for self-propelled point, power number for 15-degree slope and power number for 20% slip. The estimation of wheel performance over sloped lunar terrain showed an increase in wheel slip, and the possibility exists that the selected lugged wheel will not be able to move up a slope steeper than 20°.     

Discrete and non-local elastica

In this paper, the buckling and post-buckling behavior of an elastic lattice system referred to as the discrete elastica problem is investigated using an equivalent non-local continuum approach. The geometrically exact post-buckling analysis of the elastic chain, also called Hencky system, is first numerically solved using the shooting method. This discrete physical model is also mathematically equivalent to a finite difference formulation of the continuum elastica. Starting from the exact difference equations of the discrete problem, a continualization method is applied for approximating the difference operators by differential ones, in order to better characterize the discrete system by an enriched continuous one. It is shown that the new continuum associated with the discrete system exactly fits the discrete elastica post-buckling problem, where the non-locality is of Eringen׳s type (also called stress gradient non-local model). An asymptotic expansion is performed for both the discrete and the non-local continuum models, in order to approximate the post-buckling branches of the discrete system. Some numerical investigations show the efficiency of the non-local approach, especially for capturing the scale effects inherent to the cell size of the lattice model.     

Synthesis and methane storage of binder-free porous graphene monoliths

Nanomesh graphene (NMG) obtained by template chemical vapor deposition was used to synthesize the binder-free graphene monoliths by simple tablet pressing. The stacking manner of the NMG sheets was crucial to the cohesion interaction between the graphene sheets, only the NMG materials with a loosely stacking manner could be pressed into binder-free monoliths. At the tableting pressure of 2–8 MPa, both the bulk densities and the specific surface areas of the monoliths keep nearly constant as the tableting pressure increases, indicating that the NMG monoliths have obvious elasticity and a porous structure due to the large corrugations and the mesh structures of the graphene sheets. As a result, an extraordinary methane storage capacity of 236 (v/v) at 9 MPa was obtained in the graphene monolith prepared by tableting at 4 MPa.     

Emission of dislocations from nanovoids under combined loading

Among all directions available for dislocation emission from the surface of a cylindrical circular void, the direction of the most likely emission is determined. It is shown that this direction is different from the direction of the maximum shear stress at the surface of the void due to the applied loading. The critical stress and the direction of the dislocation emission are determined for circular nanovoids under remote uniaxial, pure shear, and arbitrary biaxial loading. The analysis includes effects of the loading orientation relative to the discrete slip plane orientation. It is shown that dislocations are emitted more readily from larger nanovoids and that wider dislocations are emitted under lower applied stress than narrow dislocations. Different mechanisms, under much lower stress, operate for growth of the micron-size voids.