Nucleation of partial dislocations at a crack and its implication on deformation mechanisms of nanostructured metals

Nucleation of partial dislocations at a crack is analyzed based a multiscale model that incorporates atomic information into continuum-mechanics approach. The crack and the slip plane as the extension of the crack are modeled as a surface of displacement discontinuities embedded in an elastic medium. The atomic potential between the adjacent atomic layers along the slip plane is assumed to be the generalized stacking fault energy, which is obtained based on atomic calculations. The relative displacements along the slip plane, corresponding to the configurations of partial dislocations and stacking faults, are solved through the variational boundary integral method. The energetics of partial dislocation nucleation at the crack in FCC metals Al and Cu are comparatively studied for their distinctive difference in the intrinsic stacking fault energy. Compared with nucleation of perfect dislocations in previous studies, several new features have emerged. Among them, the critical stress and activation energy for nucleation of partial dislocations are markedly lowered. Depending on the value of stacking fault energy and crack configuration, the saddle-point configurations of partial dislocations can be vastly different in terms of the nucleation sequence and the size of the stacking fault. These findings have significant implication for identifying the fundamental dislocation and grain-boundary-mediated deformation mechanisms, which may account for the limiting strength and the high strain rate sensitivity of nanostructured metals.     

Dynamical evolution of fracture process region in ductile materials

The aim of this paper is to investigate the dynamics of evolving finite fracture process regions in ductile material taking into account the dislocation motion.     

An analysis of key characteristics of the Frank-Read source process in FCC metals

A well-known intragranular dislocation source, the Frank-Read (FR) source plays an important role in size-dependent dislocation multiplication in crystalline materials. Despite a number of studies in this topic, a systematic investigation of multiple aspects of the FR source in different materials is lacking. In this paper, we employ large scale quasistatic concurrent atomistic-continuum (CAC) simulations to model an edge dislocation bowing out from an FR source in Cu, Ni, and Al. First, a number of quantities that are important for the FR source process are quantified in the coarse-grained domain. Then, two key characteristics of the FR source, including the critical shear stress and critical dislocation configuration, are investigated. In all crystalline materials, the critical stresses and the aspect ratio of the dislocation half-loop height to the FR source length scale well with respect to the FR source length. In Al, the critical stress calculated by CAC simulations for a given FR source length agrees reasonably well with a continuum model that explicitly includes the dislocation core energy. Nevertheless, the predictions of the isotropic elastic theory do not accurately capture the FR source responses in Cu and Ni, which have a relatively large stacking fault width and elastic anisotropy. Our results highlight the significance of directly simulating the FR source activities using fully 3D models and shed light on developing more accurate continuum models.     

Fracture mechanisms of CTOD samples of submerged and flux cored arc welding

Three welding procedures commonly used to rebuild worn shafts in sugar cane mills were analyzed: two processes of submerged arc welding and one of flux cored arc welding. Crack tip opening displacement for the welding was determined according to ASTM E 1290 standard. The fracture surface and microstructure of the samples were characterized using scanning electron microscopy and optical microscopy, respectively. The fracture parameter CTOD was correlated with the fracture surface and microstructures. The single deposit of FCAW process and the outer weld deposits of SAW process present acicular and blocky ferrite and non-metallic inclusions with spherical shape distributed randomly in the welding. The inner deposits for SAW process show equiaxed ferrite and pearlite with fine inclusions. Welding material B-MA 1 presented the highest CTOD_c with 0.2115 mm, followed by A-MA 2 with 0.1672 mm and A-MA 1 with 0.1238 mm. Each presented ductile fracture surfaces characterized by spherical dimples, microvoids nucleated in inclusions. Deposits B-MA2 and C-MA 1 presented lower CTOD_c, unstable crack growth and brittle fractures, characterized by intergranular failures due to fine inclusions in the grain boundaries.     

Constraint effects in adhesive joint fracture

Constraint effects in adhesive joint fracture are investigated by modelling the adherents as well as a finite thickness adhesive layer in which a single row of cohesive zone elements representing the fracture process is embedded. Both the adhesive and the adherents are elastic-plastic with strain hardening. The bond toughness Γ (work per unit area) is equal to Γ₀+Γ_p, where Γ₀ is the intrinsic work of fracture associated with the embedded cohesive zone response and Γ_p is the extra contribution to the bond toughness arising from plastic dissipation and stored elastic energy within the adhesive layer. The parameters of the model are identified from experiments on two different adhesives exhibiting very different fracture properties. Most of the tests were performed using the wedge-peel test method for a variety of adhesives, adherents and wedge thicknesses. The model captures the constraint effects resulting from the change in Γ_p: (i) the plastic dissipation increases with increasing bond line thickness in the fully plastic regime and then decreases to reach a constant value for very thick adhesive layers; (ii) the plastic dissipation in the fully plastic regime increases drastically as the thickness of the adherent decreases. Finally, this model is used to assess a simpler approach which consists of simulating the full adhesive layer as a single row of cohesive elements.     

Incompatible numerical manifold method for fracture problems

The incompatible numerical manifold method （INMM） is based on the finite cover approximation theory, which provides a unified framework for problems dealing with continuum and discontinuities. The incompatible numerical manifold method employs two cover systems as follows. The mathematical cover system provides the nodes for forming finite covers of the solution domain and the weighted functions, and the physical cover system describes geometry of the domain and the discontinuous surfaces therein. In INMM, the mathematical finite cover approximation theory is used to model cracks that lead to interior discontinuities in the process of displacement. Therefore, the discontinuity is treated mathematically instead of empirically by the existing methods. However, one cover of a node is divided into two irregular sub-covers when the INMM is used to model the discontinuity. As a result, the method sometimes causes numerical errors at the tip of a crack. To improve the precision of the INMM, the analytical solution is used at the tip of a crack, and thus the cover displacement functions are extended with higher precision and computational efficiency. Some numerical examples are given.     

Frictional energy dissipation in materials containing cracks

Kachanov's simplified model of microcrack interaction is applied to an investigation of the behaviour of a cracked body under predominantly compressive periodic loading, so that the cracks experience periods of closure and slip, with frictional dissipation. The model is shown to be equivalent to a discrete elastic frictional system with each crack representing one node. Theorems and algorithms from such systems are applied to determine the conditions under which the system shakes down to a state with no slip and hence no energy dissipation in friction. For conditions not too far beyond the shakedown state, the dissipation is significantly affected by the initial conditions, but with larger oscillating loads, it becomes a unique and increasing function of load amplitude. The effect of crack interaction is assessed by comparison with an uncoupled model, for which the dissipation is obtained as a summation of closed form expressions over the crack population. For small numbers of cracks, the results are significantly dependent on the randomly chosen crack locations and sizes, but with larger populations, a statistically significant decrease in dissipation is observed with increasing interaction terms.     

The size dependence of micro-toughness in ductile fracture

Micro-toughness in ductile fracture is defined as the plastic work dissipated per unit fracture surface area in the material separation processes of void growth and coalescence. A micromechanics model for the estimation of the size dependence of micro-toughness in ductile fracture is presented. Size effects are incorporated in the model using the conventional mechanism-based strain gradient plasticity (CMSG) theory. A finite element model of an axisymmetric representative unit cell with an initial spherical void is used to validate model predictions. Two characteristic length scales emerge from the model. The initial void radius sets the scale for the initial spherical void growth. For the subsequent void coalescence, the scale is set by the width of the intervoid ligament. Energy dissipation in ductile fracture is found to be dominated by the mechanisms of coalescence, and the micro-toughness in ductile fracture is found to be size dependent for dimple sizes approximately one order of magnitude larger than the material length scale.     

Micromechanics of coalescence in ductile fracture

Significant progress has been recently made in modelling the onset of void coalescence by internal necking in ductile materials. The aim of this paper is to develop a micro-mechanical framework for the whole coalescence regime, suitable for finite-element implementation. The model is defined by a set of constitutive equations including a closed form of the yield surface along with appropriate evolution laws for void shape and ligament size. Normality is still obeyed during coalescence. The derivation of the evolution laws is carefully guided by coalescence phenomenology inferred from micromechanical unit-cell calculations. The major implication of the model is that the stress carrying capacity of the elementary volume vanishes as a natural outcome of ligament size reduction. Moreover, the drop in the macroscopic stress accompanying coalescence can be quantified for many initial microstructures provided that the microstructure state is known at incipient coalescence. The second part of the paper addresses a more practical issue, that is the prediction of the acceleration rate δ in the Tvergaard-Needleman phenomenological approach to coalescence. For that purpose, a Gurson-like model including void shape effects is used. Results are presented and discussed in the limiting case of a non-hardening material for different initial microstructures and various stress states. Predicted values of δ are extremely sensitive to stress triaxiality and initial spacing ratio. The effect of initial porosity is significant at low triaxiality whereas the effect of initial void shape is emphasized at high triaxiality.     

A numerical study of crack tip constraint in ductile single crystals

In this work, the effect of crack tip constraint on near-tip stress and deformation fields in a ductile FCC single crystal is studied under mode I, plane strain conditions. To this end, modified boundary layer simulations within crystal plasticity framework are performed, neglecting elastic anisotropy. The first and second terms of the isotropic elastic crack tip field, which are governed by the stress intensity factor K and T-stress, are prescribed as remote boundary conditions and solutions pertaining to different levels of T-stress are generated. It is found that the near-tip deformation field, especially, the development of kink or slip shear bands, is sensitive to the constraint level. The stress distribution and the size and shape of the plastic zone near the crack tip are also strongly influenced by the level of T-stress, with progressive loss of crack tip constraint occurring as T-stress becomes more negative. A family of near-tip fields is obtained which are characterized by two terms (such as K and T or J and a constraint parameter Q) as in isotropic plastic solids.     

Energy approach to crack growth in a fiber-reinforced brittle material modeled by an inclusion

Brittle materials randomly reinforced with a low volume fraction of strong, stiff and ductile fibers are considered, with specific reference to fiber-reinforced cements and concrete. Visible cracks in such materials are accompanied by a surrounding damage zone – together these constitute a very complex “crack system”. Enormous effort has been put into trying to understand the micromechanics of such systems. Almost all of these efforts do not deal with the “crack system” propagation behavior as a whole. The propagation process of such a “crack system” includes propagation of the visible crack and the growth of the damage zone. Propagation may take place by lengthening of the visible crack together with the concomitant lengthening of the surrounding damage zone, or simply by broadening of the damage zone while the visible crack length remains unchanged – or simultaneously by growth of both types. A phenomenological completely theoretical model (for an ideal material) is here proposed which can serve to examine the propagation process by means of energy principles, without recourse to the microscopic details of the process. An application of this theoretical approach is presented for the case of a damage zone evolving with a rectangular shape. This shape is chosen because it is expected that it will illustrate the nature of damage evolution and because the computational procedure necessary to follow the growth is the most straightforward.     

Distribution of dislocation source length and the size dependent yield strength in freestanding thin films

A method is proposed to estimate the size-dependent yield strength of columnar-grained freestanding thin films. The estimate relies on assuming a distribution of the size of Frank-Read sources, which is then translated into a log-normal distribution of the source strength, depending on film thickness, grain size and theoretical strength of the material, augmented with a single fit parameter. Two-dimensional discrete dislocation plasticity (DDP) simulations are carried out for two sets of Cu films and the fit parameter is determined from independent experiments. Subsequent DDP predictions of the stress-strain curves in comparison with the corresponding experimental data show excellent agreement of initial yield strength and hardening rate for films of varying film thickness and grain size. Having thus demonstrated the power of the proposed strength distribution, it is shown that the mode of this distribution governs the most effective source strength. This is then used to suggest a method to estimate the yield strength of thin films as a function of film thickness and grain size. Simple maps are presented that are in very good agreement with recent experimental results for Cu thin films.     

Characterization of crack tip stresses in plane-strain fracture specimens having weld center crack

Fracture toughness of metals depends strongly on the state of stress near the crack tip. The existing standards (like R-6, SINTAP) are being modified to account for the influence of stress triaxiality in the flaw assessment procedures. These modifications are based on the ability of so-called ‘constraint parameters’ to describe near tip stresses. Crack tip stresses in homogeneous fracture specimens are successfully described in terms of two parameters like J–Q or J–T. For fracture specimens having a weld center crack, strength mismatch ratio between base and weld material and weld width are the additional variables, along with the magnitude of applied loading, type of loading, and geometry of specimen that affect the crack tip stresses. In this work, a novel three-parameter scheme was proposed to estimate the crack tip opening stress accounting for the above-mentioned variables. The first and second parameters represent the crack tip opening stress in a homogeneous fracture specimen under small-scale yielding and are well known. The third parameter accounts for the effect of constraint developed due to weld strength mismatch. It comprises of weld strength mismatch ratio (M, i.e. ratio of yield strength of weld material to that of base material), and a plastic interaction factor (I_p) that scales the size of the plastic zone with the width of the weld material. The plastic interaction factor represents the degree of influence of weld strength mismatch on crack tip constraint for a given mismatch ratio. The proposed scheme was validated with detailed FE analysis using the Modified Boundary Layer formulation.     

Coupled quantum–continuum analysis of crack tip processes in aluminum

A concurrent multiscale method is presented that couples a quantum mechanically governed atomistic domain to a continuum domain. The approach is general in that it is applicable to a wide range of quantum and continuum material modeling methodologies. It also provides quantifiable and controllable coupling errors via a force-based-coupling strategy. The applications presented here utilize an atomistic region that is governed by Kohn–Sham density functional theory and a continuum region governed by linear elasticity with discrete dislocation capabilities. As a validation we compute the core structure of a screw dislocation in aluminum and compare to previously published results. Then we investigate two crack orientations in aluminum and predict the critical load at which crack propagation and crack tip dislocation nucleation occurs. We compute critical loads with both LDA and GGA exchange correlation functionals and compare our results to popular empirical potentials in the context of classical continuum models. Overall this work aims to lay a foundation for future quantum mechanics-based investigations of crack tip processes involving Al alloys and impurity elements.     

Energy release rates in rubber during dynamic crack propagation

The theoretical understanding of the fracture mechanics of rubber is not as well developed as for other engineering materials, such as metals. The present study is intended to further the understanding of the dissipative processes that take place in rubber in the vicinity of a propagating crack tip. This dissipation contributes significantly to the total fracture toughness of the rubber and is therefore of great interest from a fracture mechanics point of view. To study this, a computational framework for analysing high-speed crack growth in a biaxially stretched rubber under plane stress is therefore formulated. The main purpose is to investigate the energy release rates required for crack propagation under different modes of biaxial stretching. The results show, that inertia comes into play when the crack speed exceeds about 50 m/s. The total work of fracture by far exceeds the surface energy consumed at the very crack tip, and the difference must be attributed to dissipative damage processes in the vicinity of the crack tip. The size of this damage/dissipation zone is expected to be a few millimetres.     

Homogenization of intergranular fracture towards a transient gradient damage model

This paper focuses on the intergranular fracture of polycrystalline materials, where a detailed model at the meso-scale is translated onto the macro-level through a proposed homogenization theory. The bottom-up strategy involves the introduction of an additional macro-kinematic field to characterize the average displacement jump within the unit cell. Together with the standard macro-strain field, the underlying processes are propagated onto the macro-scale by imposing the equivalence of power and energy at the two scales. The set of macro-governing equations and constitutive relations are next extracted naturally as per standard thermodynamics procedure. The resulting homogenized microforce balance recovers the so-called ‘implicit’ gradient expression with a transient nonlocal interaction. The homogenized gradient damage model is shown to fully regularize the softening behavior, i.e. the structural response is made mesh-independent, with the damage strain correctly localizing into a macroscopic crack, hence resolving the spurious damage growth observed in many conventional gradient damage models. Furthermore, the predictive capability of the homogenized model is demonstrated by benchmarking its solutions against reference meso-solutions, where a good match is obtained with minimal calibrations, for two different grain sizes.     

Finite deformation analysis of crack tip fields in plastically compressible hardening–softening–hardening solids

Crack tip fields are calculated under plane strain small scale yielding conditions. The material is characterized by a finite strain elastic–viscoplastic constitutive relation with various hardening–softening–hardening hardness functions. Both plastically compressible and plastically incompressible solids are considered. Displacements corresponding to the isotropic linear elastic mode I crack field are prescribed on a remote boundary. The initial crack is taken to be a semi-circular notch and symmetry about the crack plane is imposed. Plastic compressibility is found to give an increased crack opening displacement for a given value of the applied loading. The plastic zone size and shape are found to depend on the plastic compressibility, but not much on whether material softening occurs near the crack tip.On the other hand, the near crack tip stress and deformation fields depend sensitively on whether or not material softening occurs. The combination of plastic compressibility and softening(or softening–hardening) has a particularly strong effect on the near crack tip stress and deformation fields.