Fracture of bicrystal metal/ceramic interfaces: A study via the mechanism-based strain gradient crystal plasticity theory

Two continuum mechanical models of crystal plasticity theory namely, conventional crystal plasticity theory and mechanism-based crystal plasticity theory, are used to perform a comparative study of stresses that are reached at and ahead of the crack tip of a bicrystal niobium/alumina specimen. Finite element analyses are done for a stationary crack tip and growing cracks using a cohesive modelling approach. Using mechanism-based strain gradient crystal plasticity theory the stresses reached ahead of the crack tip are found to be two times larger than the stresses obtained from conventional crystal plasticity theory. Results also show that strain gradient effects strongly depend on the intrinsic material length to the size of plastic zone ratio (l/R₀). It is found that the larger the (l/R₀) ratio, the higher the stresses reached using mechanism-based strain gradient crystal plasticity theory. An insight into the role of cohesive strength and work of adhesion in macroscopic fracture is also presented which can be used by experimentalists to design better bimaterials by varying cohesive strength and work of adhesion.     

Two mechanisms of ductile fracture: void by void growth versus multiple void interaction

Two distinct mechanisms of crack initiation and advance by void growth have been identified in the literature on the mechanics of ductile fracture. One is the interaction a single void with the crack tip characterizing initiation and the subsequent void by void advance of the tip. This mechanism is represented by the early model of Rice and Johnson and the subsequent more detailed numerical computations of McMeeking and coworkers on a single void interacting with a crack tip. The second mechanism involves the simultaneous interaction of multiple voids on the plane ahead of the crack tip both during initiation and in subsequent crack growth. This mechanism is revealed by models with an embedded fracture process zone, such as those developed by Tvergaard and Hutchinson. While both mechanisms are based on void nucleation, growth and coalescence, the inferences from them with regard to crack growth initiation and growth are quantitatively different. The present paper provides a formulation and numerical analysis of a two-dimensional plane strain model with multiple discrete voids located ahead of a pre-existing crack tip. At initial void volume fractions that are sufficiently low, initiation and growth is approximately represented by the void by void mechanism. At somewhat higher initial void volume fractions, a transition in behavior occurs whereby many voids ahead of the tip grow at comparable rates and their interaction determines initiation toughness and crack growth resistance. The study demonstrates that improvements to be expected in fracture toughness by reducing the population of second phase particles responsible for nucleating voids cannot be understood in terms of trends of one mechanism alone. The transition from one mechanism to the other must be taken into account.     

A multiscale model for the ductile fracture of crystalline materials

In this paper, a multiscale model that combines both macroscopic and microscopic analyses is presented for describing the ductile fracture process of crystalline materials. In the macroscopic fracture analysis, the recently developed strain gradient plasticity theory is used to describe the fracture toughness, the shielding effects of plastic deformation on the crack growth, and the crack tip field through the use of an elastic core model. The crack tip field resulting from the macroscopic analysis using the strain gradient plasticity theory displayes the 1/2 singularity of stress within the strain gradient dominated region. In the microscopic fracture analysis, the discrete dislocation theory is used to describe the shielding effects of discrete dislocations on the crack growth. The result of the macroscopic analysis near the crack tip, i.e. a new K-field, is taken as the boundary condition for the microscopic fracture analysis. The equilibrium locations of the discrete dislocations around the crack and the shielding effects of the discrete dislocations on the crack growth at the microscale are calculated. The macroscopic fracture analysis and the microscopic fracture analysis are connected based on the elastic core model. Through a comparison of the shielding effects from plastic deformation and the discrete dislocations, the elastic core size is determined.     

Molecular-dynamics simulation-based cohesive zone representation of intergranular fracture processes in aluminum

A traction-displacement relationship that may be embedded into a cohesive zone model for microscale problems of intergranular fracture is extracted from atomistic molecular-dynamics (MD) simulations. An MD model for crack propagation under steady-state conditions is developed to analyze intergranular fracture along a flat Σ99 [1 1 0] symmetric tilt grain boundary in aluminum. Under hydrostatic tensile load, the simulation reveals asymmetric crack propagation in the two opposite directions along the grain boundary. In one direction, the crack propagates in a brittle manner by cleavage with very little or no dislocation emission, and in the other direction, the propagation is ductile through the mechanism of deformation twinning. This behavior is consistent with the Rice criterion for cleavage vs. dislocation blunting transition at the crack tip. The preference for twinning to dislocation slip is in agreement with the predictions of the Tadmor and Hai criterion. A comparison with finite element calculations shows that while the stress field around the brittle crack tip follows the expected elastic solution for the given boundary conditions of the model, the stress field around the twinning crack tip has a strong plastic contribution. Through the definition of a Cohesive-Zone-Volume-Element—an atomistic analog to a continuum cohesive zone model element—the results from the MD simulation are recast to obtain an average continuum traction-displacement relationship to represent cohesive zone interaction along a characteristic length of the grain boundary interface for the cases of ductile and brittle decohesion.     

Quasicontinuum simulation of single crystal nano-plate with a mixed-mode crack

The quasicontinuum (QC) method is employed to simulate a nickel single crystal nano-plate with a mixed-mode crack. Atomic stresses near the crack tip are fitted according to the elastoplastic fracture mechanics equations. It is found that the atomic stress fields neighboring the crack tip are also singular and controlled by the atomic stress intensity factors. And then the critical energy release rates for brittle and ductile fracture are computed and compared in order to predict crack propagation or dislocation emission. Four possible slip directions at the crack tip are pointed out. Finally, the slip direction around the crack tip is determined by the shear stress and it is well consistent with the atomic pictures from the QC simulation.     

分子动力学模拟含不同初始缺陷单晶镍的断裂行为与应力演化

断裂是一个跨尺度复杂的物理过程,对宏观尺度的断裂行为已有深入的研究和发展,然而对微观尺度的断裂行为及断裂过程中应力场的变化缺乏深入的理解。本文通过分子动力学模拟,研究了具有不同初始缺陷(尖锐裂纹、钝裂纹和孔洞)的单晶镍的断裂行为和应力分布特征。结果表明,不同的初始缺陷导致了不同的断裂机制、断裂强度和抗断裂性能。含初始孔洞的单晶镍样品有最高的断裂强度和最强的抗断裂性能,这与孔洞扩展过程中堆积层错的形成密切相关。其次是含初始钝裂纹的样品,在裂纹扩展过程中出现由[100]超位错发射引起的裂尖钝化;含尖锐裂纹的样品表现为脆性断裂,裂尖原子没有出现微结构的变化,其强度和抗断裂性能最低。此外,不同的初始缺陷也会导致断裂过程中应力分布的变化,对含有尖锐裂纹的脆性断裂试样,高应力(拉伸应力、平均应力和米塞斯应力)总是出现在扩展裂纹的裂尖。而对于含有钝裂纹或孔洞的韧性断裂试样,高应力不仅分布在裂尖,也分布在位错发射和堆积层错形成的区域,在裂纹/孔洞扩展之前,应力随着加载时间的增加而迅速增加,而一旦裂纹或孔洞开始扩展,应力增加非常缓慢或几乎不增加,但拉伸应力值始终大于平均应力和米塞斯应力值。这表明,在I型...     

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.     

Effect of constraint on fracture controlled by stress or strain

To interpret fracture of solids, an appropriate fracture criterion is required. It is often believed that the level of strain ahead of a crack tip controls the fracture event for materials exhibiting high ductility, e.g. ductile fracture of A533B steel in the upper shelf regime. And the level of stress ahead of a crack tip controls the brittle fracture event, e.g. cleavage fracture of A533B steel in the lower shelf regime. Within each regime (ductile or brittle), the level of constraint of a specimen or structure determines the magnitude of the apparent fracture toughness. In this paper, we address the difference in the effect of constraint on the stress- or strain-controlled fracture. It is found that the constraint plays an opposite role to the apparent fracture toughness values for strain-controlled vs. stress-controlled fracture.     

Numerical simulation of fracture mode transition in ductile plates

Fracture mode of ductile solids can vary depending on the history of stress state the material experienced. For example, ductile plates under remote in-plane loading are often found to rupture in mode I or mixed mode I/III. The distinct crack patterns are observed in many different metals and alloys, but until now the underlying physical principles, though highly debated, remain unresolved. Here we show that the existing theories are not capable of capturing the mixed mode I/III due to a missing ingredient in the constitutive equations. We introduce an azimuthal dependent fracture envelope and illustrate that two competing fracture mechanisms, governed by the pressure and the Lode angle of the stress tensor, respectively, exist ahead of the crack tip. Using the continuum damage plasticity model, we demonstrate that the distinctive features of the two crack propagation modes in ductile plates can be reproduced using three dimensional finite element simulations. The magnitude of the tunneling effect and the apparent crack growth resistance are calculated and agree with experimental observations. The finite element mesh size dependences of the fracture mode and the apparent crack growth resistance are also investigated.     

Cohesive-zone laws for void growth — I. Experimental field projection of crack-tip crazing in glassy polymers

A hybrid framework for inverse analysis of crack-tip cohesive-zone model is developed in this two-part paper to measure cohesive-zone laws of void growth in polymers by combining analytical, experimental, and numerical approaches. This paper focuses on experimental measurements of the cohesive-zone laws for two nonlinear fracture processes in glassy polymers, namely multiple crazing in crack-growth toughening of rubber-toughened high-impact polystyrene (HIPS) and crazing of steady-state crack growth in polymethylmethacrylate (PMMA) under a methanol environment. To this end, electronic speckle pattern interferometry (ESPI) is first applied to measure the crack-tip displacement fields surrounding the fracture process zones in these polymers. These fields are subsequently equilibrium smoothed and used in the extraction of the cohesive-zone laws via an analytical solution method of the inverse problem, the planar field projection method (P-FPM) [Hong, S., Kim, K.-S., 2003. Extraction of cohesive-zone laws from elastic far-fields of a cohesive crack tip: a field projection method. Journal of the Mechanics and Physics of Solids 51, 1267-1286]. Results show that the proposed framework of the P-FPM could provide a systematic way of finding the shape of the cohesive-zone laws governed by the different micro-mechanisms in the fracture processes. In HIPS, inter-particle multiple crazing develops and the craze zone broadens ahead of a crack-tip under mechanical loading. The corresponding cohesive-zone relationship of the multiple-craze zone is found to be highly convex, which indicates effectiveness of rubber particle toughening. It is also observed that the effective peak traction, 7 MPa, in the crack-tip cohesive zone of HIPS (30% rubber content) is lower than the uniaxial yield stress of 9 MPa, presumably due to stress multi-axiality effects. In contrast, in PMMA, methanol localizes the crack-tip craze, weakening the craze traction for craze-void initiation to about 9 MPa and the fibril pull-out stress to less than 6 MPa. This reduction in cohesive traction, coupled with a strongly concave traction-separation cohesive-zone relationship, signifies environmental embrittlement of PMMA. These experimentally determined cohesive-zone laws are compared with detailed numerical analyses of effective microscale-void growth ahead of a crack tip in Part II.     

Elastic-plastic mechanics of steady crack growth under anti-plane shear

For a crack with steady growth under anti-plane shear, analysis shows a primary plastic zone included in an angle of ±19.7° ahead of the crack tip, and two very thin secondary (reverse) plastic zones along the crack flanks, each included in an angle of 0.37°. Numerical solutions give the shape of the plastic zones which determine the active and residual plastic strains, and give the crack tip displacement, which is approximately 0.07 of that for monotonic loading without growth. The length of the primary plastic zone is almost the same as that without growth, but the thickness is about 3/5 as great. Coupled with ductile fracture criteria, the present results predict initially stable crack growth, whereas analyses based on the simplification of yielding on just one plane predict unstable fracture immediately following initiation.     

A new finite element method for strain gradient theories and applications to fracture analyses

A new compatible finite element method for strain gradient theories is presented. In the new finite element method, pure displacement derivatives are taken as the fundamental variables. The new numerical method is successfully used to analyze the simple strain gradient problems – the fundamental fracture problems. Through comparing the numerical solutions with the existed exact solutions, the effectiveness of the new finite element method is tested and confirmed. Additionally, an application of the Zienkiewicz–Taylor C1 finite element method to the strain gradient problem is discussed. By using the new finite element method, plane-strain mode I and mode II crack tip fields are calculated based on a constitutive law which is a simple generalization of the conventional J₂ deformation plasticity theory to include strain gradient effects. Three new constitutive parameters enter to characterize the scale over which strain gradient effects become important. During the analysis the general compressible version of Fleck–Hutchinson strain gradient plasticity is adopted. Crack tip solutions, the traction distributions along the plane ahead of the crack tip are calculated. The solutions display the considerable elevation of traction within the zone near the crack tip.     

复合型韧性断裂实验和控制参数

通过对不同韧性材料在各种平面复合载荷形式下裂纹启裂阶段裂端变形、启裂位置和扩展方向的系统的宏微观实验验证及计算分析,考察了韧性断裂参数空穴扩张比的分布特征和裂纹启裂及扩展方向的关系．得到：对于不同韧性的材料,在裂端的钝化变形区域,空穴扩张比的极大值区对应干裂纹的启裂位置,裂纹启裂时钝化裂端前缘空穴扩张比的临界值不敏感于复合比的变化．而对于裂纹启裂后的扩展方向,则需根据具体材料在相应的特定区域中比较空穴扩张比参数极大值的分布特征,需经进一步的分析,从而确定裂纹的扩展方向．实验及计算结果表明,尽管复合型断裂时裂纹启裂及扩展的机理极其复杂,用于韧性材料复合型断裂的空穴扩张比参数仍能很好地预测裂端的启裂及扩展方向,可作为复合型韧性断裂过程的控制参数．     

Multiscale modeling of crack initiation and propagation at the nanoscale

Fracture occurs on multiple interacting length scales; atoms separate on the atomic scale while plasticity develops on the microscale. A dynamic multiscale approach (CADD: coupled atomistics and discrete dislocations) is employed to investigate an edge-cracked specimen of single-crystal nickel, Ni, (brittle failure) and aluminum, Al, (ductile failure) subjected to mode-I loading. The dynamic model couples continuum finite elements to a fully atomistic region, with key advantages such as the ability to accommodate discrete dislocations in the continuum region and an algorithm for automatically detecting dislocations as they move from the atomistic region to the continuum region and then correctly “converting” the atomistic dislocations into discrete dislocations, or vice-versa. An ad hoc computational technique is also applied to dissipate localized waves formed during crack advance in the atomistic zone, whereby an embedded damping zone at the atomistic/continuum interface effectively eliminates the spurious reflection of high-frequency phonons, while allowing low-frequency phonons to pass into the continuum region.The simulations accurately capture the essential physics of the crack propagation in a Ni specimen at different temperatures, including the formation of nano-voids and the sudden acceleration of the crack tip to a velocity close to the material Rayleigh wave speed. The nanoscale brittle fracture happens through the crack growth in the form of nano-void nucleation, growth and coalescence ahead of the crack tip, and as such resembles fracture at the microscale. When the crack tip behaves in a ductile manner, the crack does not advance rapidly after the pre-opening process but is blunted by dislocation generation from its tip. The effect of temperature on crack speed is found to be perceptible in both ductile and brittle specimens.     

The effect of crack orientation on fracture behavior of tantalum by multiscale simulation

The quasicontinuum (QC) multiscale method is used to investigate anisotropic fracture behaviors of body-centered cubic (BCC) rare metal tantalum (Ta) loaded in Mode I and different fracture mechanisms are discussed from nanoscopic to continuum perspectives to have a deep understanding of brittle and ductile fracture. Initial crack deflection, brittle fracture by cleaving along low surface energy plane, ductile fracture as a result of dislocation emission and fracture accompanied by deformation twinning are all observed near crack tips of different crystal orientations. Particularly, some of these fracture mechanisms are found to be consistent with the latest experimental results. By examining different fracture behaviors, we find the surface energy and the available slip planes play a combined role in determining the fracture mechanisms near a crack tip. Both isotropic and anisotropic critical stress intensity factors are derived and compared for different crack orientations. A straightforward criterion that is proved to be applicable is used to distinguish brittle fracture from ductile fracture.     

Simulation of micro-indentation hardness of FCC single crystals by mechanism-based strain gradient crystal plasticity

The size effect observed in the micro-indentation of FCC single crystal copper is modelled by the employment of mechanism-based strain gradient crystal plasticity (MSG-CP). The total slip resistance in each active system is assumed to be due to a mixed population of forest obstacles arising from both statistically stored and geometrically necessary dislocations. The MSG-CP constitutive model is implemented into the Abaqus/Standard FE platform by developing the User MATerial subroutine UMAT. The simulation of micro-indentation hardness on (0 0 1) and (1 1 1) single crystal copper, with a conical indenter having a sharp tip, a conical indenter with a spherical tip and a three-sided Berkovich indenter, is undertaken. The phenomena of pile-up and sink-in have been observed in the simulation and dealt with by appropriate use of the contact analysis function in Abaqus. These phenomena have been taken into account in the determination of the contact areas and hence the average indentation depth for anisotropic single crystals. The depth dependence of the micro-indentation hardness, the size effect, is calculated. The micro-hardness results from the simulation are compared with those of the published experimental ones in the literature and a good agreement is found.     

Effect of intrinsic stress gradient on the effective mode-I fracture toughness of amorphous diamond-like carbon films for MEMS

The influence of intrinsic stress gradient on the mode-I fracture of thin films with various thicknesses fabricated for Microelectromechanical Systems (MEMS) was investigated. The material system employed in this study was hydrogen-free tetrahedral amorphous diamond-like carbon (ta-C). Uniform gauge microscale specimens with thicknesses 0.5, 1, 2.2, and 3 μm, containing mathematically sharp edge pre-cracks were tested under mode-I loading in fixed grip configuration. The effective opening mode fracture toughness, as calculated from boundary force measurements, was 4.25±0.7 MPa√m for 0.5-μm thick specimens, 4.4±0.4 MPa√m for 1-μm specimens, 3.74±0.3 MPa√m for 2.2-μm specimens, and 3.06±0.17 MPa√m for 3-μm specimens. Thus, the apparent fracture toughness decreased with increasing film thickness. Local elastic property measurements showed no substantial change as a function of film thickness, which provided evidence for the stability of the sp²/sp³ carbon binding stoichiometry in films of different thicknesses. Detailed experiments and finite element analysis pointed out that the dependence of the effective fracture toughness on specimen thickness was due to the intrinsic stress gradient developed during fabrication and post-process annealing. This stress gradient is usually unaccounted for in mode-I fracture experiments with thin films. Thicker films, fabricated from multiple thin layers, underwent annealing for extended times, which resulted in a stress gradient across their thickness. This stress gradient caused an out-of-plane curvature upon film release from its substrate and, thus, combined bending and tensile mode-I loading at the crack tip under in-plane forces. Since the bending component cannot be isolated from the applied boundary force measurements, its contribution, becoming important for thick films, remains unaccounted for in the calculation of the critical stress intensity factor, thus resulting in reduced apparent fracture toughness that varies with film thickness and curvature. It was concluded that in the presence of a stress gradient, accounting only for the average intrinsic stresses could lead in an overestimate of the fracture resistance of a brittle film. Under these considerations the material fracture toughness of ta-C, as determined from specimens with negligible curvature, is K_IC=4.4±0.4 MPa√m.     

Fracture in single crystal NiTi

This paper presents an investigation of the pseudoelastic transformation of two crystallographic orientations of a single crystal NiTi shape memory alloy (SMA). Both uniaxial tension and notched tension samples are considered with the tensile axes along the [1 0 0] and [1 1 1] directions. The phase transformation is observed using optical techniques in situ. For the uniaxial tension samples, martensite plates and Lüders-band structures are observed. For the notched samples, transformation structures in the [1 0 0] sample appeared predominantly on the sides of the notch and crack tip with stable crack propagation. In the [1 1 1] notched samples transformation occurs directly ahead of the notch and unstable crack propagation is observed. An available work criterion is used to predict the location of the transformation, with good agreement to the experimental observations. The different fracture behavior of the two notched sample orientations is explained utilizing the available work calculations.     

Size and temperature effects on the fracture mechanisms of silicon nanowires: Molecular dynamics simulations

We present molecular dynamics simulations of [1 1 0]-oriented Si nanowires (NWs) under a constant strain rate in tension until failure, using the modified embedded-atom-method (MEAM) potential. The fracture behavior of the NWs depends on both temperature and NW diameter. For NWs of diameter larger than 4 nm, cleavage fracture on the transverse (1 1 0) plane are predominantly observed at temperatures below 1000 K. At higher temperatures, the same NWs shear extensively on inclined {1 1 1} planes prior to fracture, analogous to the brittle-to-ductile transition (BDT) in bulk Si. Surprisingly, NWs with diameter less than 4 nm fail by shear regardless of temperature. Detailed analysis reveals that cleavage fracture is initiated by the nucleation of a crack, while shear failure is initiated by the nucleation of a dislocation, both from the surface. While dislocation mobility is believed to be the controlling factor of BDT in bulk Si, our analysis showed that the change of failure mechanism in Si NWs with decreasing diameters is nucleation controlled. Our results are compared with a recent in situ tensile experiment of Si NWs showing ductile failure at room temperature.