Mechanical response of multicrystalline thin films in mesoscale field dislocation mechanics

A continuum model of plasticity, Phenomenological Mesoscopic Field Dislocation Mechanics (PMFDM), is used to study the effect of surface passivation, grain orientation, grain boundary constraints, and film thickness on the mechanical response of multicrystalline thin films. The numerical experiments presented in this paper show that a surface passivation layer on thin films introduces thickness dependence of the mechanical response. However, the effect of passivation decreases in films with impenetrable grain boundaries. The orientation of individual grains of the multicrystal also has a significant effect on the mechanical response. Our results are in qualitative agreement with experimental observations. A primary contribution of this work is the implementation of a jump condition that enables the modeling of important limits of grain boundary constraints to plastic flow, independent of ad-hoc constitutive assumptions and interface conditions.     

Interfacial energy effects within the framework of strain gradient plasticity

In the framework of strain gradient plasticity, a solid body with boundary surface playing the role of a dissipative boundary layer endowed with surface tension and surface energy, is addressed. Using the so-called residual-based gradient plasticity theory, the state equations and the higher order boundary conditions are derived quite naturally for both the bulk material and the boundary layer. A phenomenological constitutive model is envisioned, in which the bulk material and the boundary layer obey (rate independent associative) coupled plasticity evolution laws, with kinematic hardening laws of differential nature for the bulk material, but of nondifferential nature for the layer. A combined global maximum dissipation principle is shown to hold. The higher order boundary conditions are discussed in details and categorized in relation to some peculiar features of the boundary surface, and their basic role in the coupling of the bulk/layer plasticity evolution laws is pointed out. The case of an internal interface is also studied. An illustrative example relating to a shear model exhibiting energetic size effects is presented. The theory provides a unified view on gradient plasticity with interfacial energy effects.     

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.     

Size effects on the plastic collapse limit load of thin foils in bending and thin wires in torsion

Following a previous paper by the author [Strain gradient plasticity, strengthening effects and plastic limit analysis, Int. J. Solids Struct. 47 (2010) 100–112], a nonconventional plastic limit analysis for a particular class of micron scale structures as, typically, thin foils in bending and thin wires in torsion, is here addressed. An idealized rigid-perfectly plastic material is considered, which is featured by a strengthening potential degree-one homogeneous function of the effective plastic strain and its spatial gradient. The nonlocal (gradient) nature of the material resides in the inherent strengthening law, whereby the yield strength is related to the effective plastic strain through a second order PDE with associated higher order boundary conditions. The peculiarity of the considered structures stems from their geometry and loading conditions, which dictate the shape of the collapse mechanism and make the higher order boundary conditions on the (microscopically) free boundary be accommodated by means of a boundary singularity mechanism. This consists in the formation of thin boundary layers with unbounded stresses, but bounded stress resultants which —together with the regular bulk stresses— contribute to the value of the collapse load. Closed-form solutions are provided for thin foils in pure bending and thin wires in pure torsion, and in particular the limit bending and torque moments are given as functions of an adimensionalized internal length parameter.     

Constitutive behaviour of anisotropic materials under shock loading

Thermodynamically and mathematically consistent constitutive equations suitable for shock wave propagation in an anisotropic material are presented in this paper. Two fundamental tensors α_ij and β_ij which represent anisotropic material properties are defined and can be considered as generalisations of the Kronecker delta symbol, which plays the main role in the theory of isotropic materials. Using two fundamental tensors α_ij and β_ij, the concept of total generalised “pressure” and pressure corresponding to the thermodynamic (equation of state) response are redefined. The equation of state represents mathematical and physical generalisation of the classical Mie–Grüneisen equation of state for isotropic material and reduces to the Mie–Grüneisen equation of state in the limit of isotropy. Based on the generalised decomposition of the stress tensor, the modified equation of state for anisotropic materials, and the modified Hill criteria, combined with the associated flow rule, a system of constitutive equations suitable for shock wave propagation is formulated. The behaviour of aluminium alloy 7010-T6 under shock loading conditions is considered. A comparison of numerical simulations with existing experimental data shows good agreement of the general pulse shape, Hugoniot Elastic Limits (HELs), and Hugoniot stress levels, and suggests that the constitutive equations are performing satisfactorily. The results are presented and discussed, and future studies are outlined.     

Thermodynamic and relaxation-based modeling of the interaction between martensitic phase transformations and plasticity

This paper focuses on the issue plasticity within the framework of a micromechanical model for single-crystal shape-memory alloys. As a first step towards a complete micromechanical formulation of such models, we work with classical J₂-von Mises-type plasticity for simplicity. The modeling of martensitic phase transitions is based on the concept of energy relaxation (quasiconvexification) in connection with evolution equations derived from inelastic potentials. Crystallographic considerations lead to the derivation of Bain strains characterizing the transformation kinematics. The model is derived for arbitrary numbers of martensite variants and thus can be applied to any shape-memory material such as CuAlNi or NiTi. The phase transition model captures effects like tension/compression asymmetry and transformation induced anisotropy. Additionally, attention is focused on the interaction between phase transformations and plasticity in terms of the inheritance of plastic strain. The effect of such interaction is demonstrated by elementary numerical studies.     

A nonlocal strain gradient plasticity theory for finite deformations

Strain gradient plasticity for finite deformations is addressed within the framework of nonlocal continuum thermodynamics, featured by the concepts of (nonlocality) energy residual and globally simple material. The plastic strain gradient is assumed to be physically meaningful in the domain of particle isoclinic configurations (with the director vector triad constant both in space and time), whereas the objective notion of corotational gradient makes it possible to compute the plastic strain gradient in any domain of particle intermediate configurations. A phenomenological elastic–plastic constitutive model is presented, with mixed kinematic/isotropic hardening laws in the form of PDEs and related higher order boundary conditions (including those associated with the moving elastic/plastic boundary). Two fourth-order projection tensor operators, functions of the elastic and plastic strain states, are shown to relate the skew-symmetric parts of the Mandel stress and back stress to the related symmetric parts. Consistent with the thermodynamic restrictions therein derived, the flow laws for rate-independent associative plasticity are formulated in a six-dimensional tensor space in terms of symmetric parts of Mandel stresses and related work-conjugate generalized plastic strain rates. A simple shear problem application is presented for illustrative purposes.     

A thermodynamic based higher-order gradient theory for size dependent plasticity

A physically motivated and thermodynamically consistent formulation of small strain higher-order gradient plasticity theory is presented. Based on dislocation mechanics interpretations, gradients of variables associated with kinematic and isotropic hardenings are introduced. This framework is a two non-local parameter framework that takes into consideration large variations in the plastic strain tensor and large variations in the plasticity history variable; the equivalent (effective) plastic strain. The presence of plastic strain gradients is motivated by the evolution of dislocation density tensor that results from non-vanishing net Burgers vector and, hence, incorporating additional kinematic hardening (anisotropy) effects through lattice incompatibility. The presence of gradients in the effective (scalar) plastic strain is motivated by the accumulation of geometrically necessary dislocations and, hence, incorporating additional isotropic hardening effects (i.e. strengthening). It is demonstrated that the non-local yield condition, flow rule, and non-zero microscopic boundary conditions can be derived directly from the principle of virtual power. It is also shown that the local Clausius–Duhem inequality does not hold for gradient-dependent material and, therefore, a non-local form should be adopted. The non-local Clausius–Duhem inequality has an additional term that results from microstructural long-range energy interchanges between the material points within the body. A detailed discussion on the physics and the application of proper microscopic boundary conditions, either on free surfaces, clamped surfaces, or intermediate constrained surfaces, is presented. It is shown that there is a close connection between interface/surface energy of an interface or free surface and the microscopic boundary conditions in terms of microtraction stresses. Some generalities and utility of this theory are discussed and comparisons with other gradient theories are given. Applications of the proposed theory for size effects in thin films are presented.     

Multiaxial constitutive model accounting for the strength-differential in Inconel 718

The nickel-base alloy Inconel 718 exhibits a strength-differential, that is, a different plastic flow behavior in uniaxial tension and uniaxial compression. A phenomenological viscoplastic model founded on thermodynamics has been extended for material behavior that deviates from classical metal plasticity by including all three stress invariants in the threshold function. The model can predict plastic flow in isotropic materials with or without a flow stress asymmetry as well as with or without pressure dependence. Viscoplastic material parameters have been fit to pure shear, uniaxial tension, and uniaxial compression experimental results at 650°°C. Threshold function material parameters have been fit to the strength-differential. Four classes of threshold functions have been considered and nonproportional loading of hollow tubes, such as shear strain followed by axial strain, has been used to select the most applicable class of threshold function for the multiaxial model as applied to Inconel 718 at 650 °C. These nonproportional load paths containing corners provide a rigorous test of a plasticity model, whether it is time-dependent or not. A J₂J₃ class model, where J₂ and J₃ are the second and third effective deviatoric stress invariants, was found to agree the best with the experimental results.     

Geometrically necessary dislocations in viscoplastic single crystals and bicrystals undergoing small deformations

In this study we develop a gradient theory of small-deformation single-crystal plasticity that accounts for geometrically necessary dislocations (GNDs). The resulting framework is used to discuss grain boundaries. The grains are allowed to slip along the interface, but growth phenomenona and phase transitions are neglected. The bulk theory is based on the introduction of a microforce balance for each slip system and includes a defect energy depending on a suitable measure of GNDs. The microforce balances are shown to be equivalent to nonlocal yield conditions for the individual slip systems, yield conditions that feature backstresses resulting from energy stored in dislocations. When applied to a grain boundary the theory leads to concomitant yield conditions: relative slip of the grains is activated when the shear stress reaches a suitable threshold; plastic slip in bulk at the grain boundary is activated only when the local density of GNDs reaches an assigned threshold. Consequently, in the initial stages of plastic deformation the grain boundary acts as a barrier to plastic slip, while in later stages the interface acts as a source or sink for dislocations. We obtain an exact solution for a simple problem in plane strain involving a semi-infinite compressed specimen that abuts a rigid material. We view this problem as an approximation to a situation involving a grain boundary between a grain with slip systems aligned for easy flow and a grain whose slip system alignment severely inhibits flow. The solution exhibits large slip gradients within a thin layer at the grain boundary.     

A critical state sand model with elastic–plastic coupling

Soil elastic moduli are highly pressure-dependent. Experimental findings have indicated that the elastic shear modulus of sands depends on p^χ, where p is mean principal effective stress and χ is a non-dimensional parameter. χ practically remains unchanged for shear strains less than 10⁻⁵ where the mechanical behavior is purely elastic. However, experiments have revealed that the emergence of plasticity for shear strains larger than 10⁻⁵ provokes a gradual increase in χ. Technically, this observation is an elastic–plastic coupling effect in which plasticity causes to change the elastic characteristics. Here, this issue is considered in hyper-elasticity framework in conjunction with a critical state compatible bounding surface plasticity platform for granular soils. To this aim, constitutive equations linking χ to a proper kinematic hardening parameter are presented. Then, using the proposed approach, a hyper-elastic theory is modified to consider the mentioned elastic–plastic coupling effect in the whole domain of the elastoplastic behavior. Adopting the improved hyper-elasticity necessitates the modification of a number of basic plasticity platform elements. In this regard, dilatancy and plastic hardening modulus of the bounding surface platform are modified. Successful performance of the modified constitutive model is presented against experimental data of loading/unloading triaxial tests.     

Strain gradient plasticity effects in whisker-reinforced metals

A metal reinforced by fibers in the micron range is studied using the strain gradient plasticity theory of Fleck and Hutchinson (J. Mech. Phys. Solids 49 (2001) 2245). Cell-model analyses are used to study the influence of the material length parameters numerically, for both a single parameter version and the multiparameter theory, and significant differences between the predictions of the two models are reported. It is shown that modeling fiber elasticity is important when using the present theories. A significant stiffening effect when compared to conventional models is predicted, which is a result of a significant decrease in the level of plastic strain. Moreover, it is shown that the relative stiffening effect increases with fiber volume fraction. The higher-order nature of the theories allows for different higher-order boundary conditions at the fiber-matrix interface, and these boundary conditions are found to be of importance. Furthermore, the influence of the material length parameters on the stresses along the interface between the fiber and the matrix material is discussed, as well as the stresses within the elastic fiber which are of importance for fiber breakage.     

Dislocation core spreading at interfaces between metal films and amorphous substrates

Experiments with transmission electron microscopy have shown that in a strong electron beam the contrast of dislocations may gradually disappear at an incoherent interface between a metal thin film and an amorphous substrate. There are reasons to believe that this phenomenon is caused by radiation-induced dislocation core spreading at the interface. A quantitative model accounting for this effect will be necessary for a better understanding of dislocation structures and plastic deformation in metal thin films. As a first step toward this objective, we develop a number of mathematical solutions for dislocation core spreading at an incoherent interface. For simplicity, we consider screw dislocations, and consider the interface to be characterized by a shear adhesive strength, τ₀, below which no core spreading occurs, and above which spreading takes place in a viscous manner. We determine the final equilibrium core width and the rate of core spreading for single or planar arrays of dislocations in a homogeneous bulk material or at the interface between a thin film and a semi-infinite substrate where the film and substrate may have the same, or different, elastic constants. Some of our solutions are analytic and others are based on an implicit finite difference method with a Gauss-Chebyshev quadrature scheme. The phenomenon of dislocation core spreading is expected to have a dramatic effect on the strength of crystalline films deposited on amorphous substrates.     

An implicit tensorial gradient plasticity model – Formulation and comparison with a scalar gradient model

Many rate-independent models for metals utilize the gradient of effective plastic strain to capture size-dependent behavior. This enhancement, sometimes termed as “explicit” gradient formulation, requires higher-order tractions to be imposed on the evolving elasto-plastic boundary and the resulting numerical framework is complicated. An “implicit” scalar gradient model was thus developed in Peerlings [Peerlings, R.H.J., 2007. On the role of moving elastic–plastic boundaries in strain gradient plasticity. Model. Simul. Mater. Sci. Eng. 15, 109–120] that has only C⁰ continuity requirements and its implementation is straightforward. However, both explicit and implicit scalar gradient models can be problematic when the effective plastic strains do not have smooth profiles. To address this limitation, an implicit tensorial gradient model is proposed in this paper based on the generalized micromorphic framework. It is also demonstrated that the scalar and tensorial implicit gradient models give similar results when the effective plastic strains fluctuate smoothly.     

Constitutive model for uniaxial transformation ratchetting of super-elastic NiTi shape memory alloy at room temperature

The transformation ratchetting of super-elastic NiTi shape memory alloy was observed by the uniaxial stress-controlled cyclic tests [Kang, G.Z., Kan, Q.H., Qian, L.M., Liu, Y.J, 2009a. Ratchetting deformation of super-elastic and shape memory NiTi Alloys. Mech. Mater. 41, 139–153]. It is concluded that the NiTi alloy presents apparent ratchetting behaviour, and the ratchetting is collectively caused by the cyclic accumulation of residual induced-martensite and the transformation-induced plastic deformation (i.e., namely transformation ratchetting). Based on the experimental results, a cyclic constitutive model was constructed in the framework of generalized plasticity [Lubliner, J., Auricchio, F., 1996. Generalized plasticity and shape memory alloys. Int. J. Solids Struct. 33, 991–1003] to describe the transformation ratchetting of super-elastic NiTi alloy. The proposed model simultaneously accounts for the evolutions of residual induced-martensite and transformation-induced plastic strain during the stress-controlled cyclic loading by introducing an internal variable z_c, i.e., cumulated induced-martensite volume fraction. The dependence of transformation ratchetting on the applied stress levels and the phase transformation hardening behaviour of the NiTi alloy are also considered in the developed model. The anisotropic phase transformation behaviours of the alloy presented in the tension and compression cases are described by employing a Drucker–Prager-typed transformation surface. It is shown that the simulated results of transformation ratchetting obtained by the proposed model are in good agreement with the corresponding experiments, since the typical features of transformation ratchetting are reasonably captured by the proposed model.     

Strain gradient plasticity,strengthening effects and plastic limit analysis

Within the framework of isotropic strain gradient plasticity, a rate-independent constitutive model exhibiting size dependent hardening is formulated and discussed with particular concern to its strengthening behavior. The latter is modelled as a (fictitious) isotropic hardening featured by a potential which is a positively degree-one homogeneous function of the effective plastic strain and its gradient. This potential leads to a strengthening law in which the strengthening stress, i.e. the increase of the plastically undeformed material initial yield stress, is related to the effective plastic strain through a second order PDE and related higher order boundary conditions. The plasticity flow laws, with the role there played by the strengthening stress, are addressed and shown to admit a maximum dissipation principle. For an idealized elastic perfectly plastic material with strengthening effects, the plastic collapse load problem of a micro/nano scale structure is addressed and its basic features under the light of classical plastic limit analysis are pointed out. It is found that the conceptual framework of classical limit analysis, including the notion of rigid-plastic behavior, remains valid. The lower bound and upper bound theorems of classical limit analysis are extended to strengthening materials. A static-type maximum principle and a kinematic-type minimum principle, consequences of the lower and upper bound theorems, respectively, are each independently shown to solve the collapse load problem. These principles coincide with their respective classical counterparts in the case of simple material. Comparisons with existing theories are provided. An application of this nonclassical plastic limit analysis to a simple shear model is also presented, in which the plastic collapse load is shown to increase with the decreasing sample size (Hall–Petch size effects).     

Size-dependent yield strength of thin films

Biaxial strain and pure shear of a thin film are analysed using a strain gradient plasticity theory presented by Gudmundson [Gudmundson, P., 2004. A unified treatment of strain gradient plasticity. Journal of the Mechanics and Physics of Solids 52, 1379–1406]. Constitutive equations are formulated based on the assumption that the free energy only depends on the elastic strain and that the dissipation is influenced by the plastic strain gradients. The three material length scale parameters controlling the gradient effects in a general case are here represented by a single one. Boundary conditions for plastic strains are formulated in terms of a surface energy that represents dislocation buildup at an elastic/plastic interface. This implies constrained plastic flow at the interface and it enables the simulation of interfaces with different constitutive properties. The surface energy is also controlled by a single length scale parameter, which together with the material length scale defines a particular material.Numerical results reveal that a boundary layer is developed in the film for both biaxial and shear loading, giving rise to size effects. The size effects are strongly connected to the buildup of surface energy at the interface. If the interface length scale is small, the size effect vanishes. For a stiffer interface, corresponding to a non-vanishing surface energy at the interface, the yield strength is found to scale with the inverse of film thickness.Numerical predictions by the theory are compared to different experimental data and to dislocation dynamics simulations. Estimates of material length scale parameters are presented.     

Boundary conditions in small-deformation, single-crystal plasticity that account for the Burgers vector

This paper discusses boundary conditions appropriate to a theory of single-crystal plasticity (Gurtin, J. Mech. Phys. Solids 50 (2002) 5) that includes an accounting for the Burgers vector through energetic and dissipative dependences on the tensor G=curlH^p, with H^p the plastic part in the additive decomposition of the displacement gradient into elastic and plastic parts. This theory results in a flow rule in the form of N coupled second-order partial differential equations for the slip-rates , and, consequently, requires higher-order boundary conditions. Motivated by the virtual-power principle in which the external power contains a boundary-integral linear in the slip-rates, hard-slip conditions in which

(A)

on a subsurface S_hard of the boundary

for all slip systems α are proposed. In this paper we develop a theory that is consistent with that of (Gurtin, 2002), but that leads to an external power containing a boundary-integral linear in the tensor , a result that motivates replacing (A) with the microhard condition

(B)

on the subsurface S_hard.

We show that, interestingly, (B) may be interpreted as the requirement that there be no flow of the Burgers vector across S_hard.What is most important, we establish uniqueness for the underlying initial/boundary-value problem associated with (B); since the conditions (A) are generally stronger than the conditions (B), this result indicates lack of existence for problems based on (A). For that reason, the hard-slip conditions (A) would seem inappropriate as boundary conditions.Finally, we discuss conditions at a grain boundary based on the flow of the Burgers vector at and across the boundary surface.     

A finite element investigation of the effect of crack tip constraint on hole growth under mode i and mixed mode loading

In this work, the effect of constraint on hole growth near a notch tip in a ductile material under mode I and mixed mode loading (involving modes I and II) is investigated. To this end, a 2-D plane strain, modified boundary layer formulation is employed in which the mixed mode elastic K–T field is prescribed as remote boundary conditions. A finite element procedure that accounts for finite deformations and rotations is used along with an appropriate version of J₂ flow theory of plasticity with small elastic strains. Several analyses are carried out corresponding to different values of T-stress and remote elastic mode-mixity. The interaction between the notch and hole is studied by examining the distribution of hydrostatic stress and equivalent plastic strain in the ligament between the notch tip and the hole, as well as the growth of the hole. The implications of the above results on ductile fracture initiation due to micro-void coalescence are discussed.