Fracture toughness from the standpoint of softening hyperelasticity

Fracture toughness of brittle materials is calibrated in experiments where a sample with a preexisting crack/notch is loaded up to a critical point of the onset of static instability. Experiments with ceramics, for example, exhibit a pronounced dependence of the toughness on the sharpness of the crack/notch: the sharper is the crack the lower is the toughness. These experimental results are not entirely compatible with the original Griffith theory of brittle fracture where the crack sharpness is of minor importance.¹To explain the experimental observations qualitatively we simulate tension of a thin plate with a small crack of a finite and varying sharpness. In simulations, we introduce the average bond energy as a limiter for the stored energy of the Hookean solid. The energy limiter induces softening, indicating material failure. Thus, elasticity with softening allows capturing the critical point of the onset of static instability of the cracked plate, which corresponds to the onset of the failure propagation at the tip of the crack. In numerical simulations we find, in agreement with experiments, that the magnitude of the fracture toughness cannot be determined uniquely because it depends on the sharpness of the crack: the sharper is the crack, the lower is the toughness.Based on the obtained results, we argue that a stable magnitude of the toughness of brittle materials can only be reached when a characteristic size of the crack tip is comparable with a characteristic length of the material microstructure, e.g. grain size, atomic distance, etc. In other words, the toughness can be calibrated only under conditions where the hypothesis of continuum fails.     

Mechanics of nanocrack: Fracture, dislocation emission, and amorphization

Understanding the nanoscale fracture mechanisms is critical for tailoring the mechanical properties of materials at small length scales. We perform an atomistic study to characterize the formation and extension of nano-sized cracks. By using atomistic reaction pathway calculations, we determine the energetics governing the brittle and ductile responses of an atomically sharp crack in silicon, involving the competing processes of cleavage bond breaking, dislocation emission, and amorphization by the formation of five- and seven-membered rings. We show that the nanoscale fracture process depends sensitively on the system size and loading method. Our results offer new perspectives on the brittle-to-ductile transition of fracture at the nanoscale.     

Rate effects on toughness in elastic nonlinear viscous solids

A micromechanics-based constitutive relation for void growth in a nonlinear viscous solid is proposed to study rate effects on fracture toughness. This relation is incorporated into a microporous strip of cell elements embedded in a computational model for crack growth. The microporous strip is surrounded by an elastic nonlinear viscous solid referred to as the background material. Under steady-state crack growth, two dissipative processes contribute to the macroscopic fracture toughness—the work of separation in the strip of cell elements and energy dissipation by inelastic deformation in the background material. As the crack velocity increases, voids grow in the strain-rate strengthened microporous strip, thereby elevating the work of separation. In contrast, the energy dissipation in the background material decreases as the crack velocity increases. In the regime where the work of separation dominates energy dissipation, toughness increases with crack velocity. In the regime where energy dissipation is dominant, toughness decreases with crack velocity. Computational simulations show that the two regimes can exist in certain range of crack velocities for a given material. The existence of these regimes is greatly influenced by the rate dependence of the void growth mechanism (and the initial void size) as well as that of the bulk material. This competition between the two dissipative processes produces a U-shaped toughness-crack velocity curve. Our computational simulations predict trends that agree with fracture toughness vs. crack velocity data reported in several experimental studies for glassy polymers and rubber-modified epoxies.     

Coarse-graining atomistic dynamics of brittle fracture by finite element method

In this work we present the finite element (FE) implementation of an atomistic formulation of balance equations and its application to coarse-grained (CG) simulation of dynamic fracture. First, we simulate a notched specimen that contains about 1.8 million atoms by the CG-FE method, and we compare the CG-FE results with that by all-atom molecular dynamics (MD) simulations. We find that CG-FE simulations with about 5% degrees of freedom of the MD simulation can capture the essential dynamic features, not in exact correspondence, but qualitatively and quantitatively similar to that obtained by MD simulations. We then proceed to simulate a series of micron-sized specimens by the CF-FE method. We find that it is the interaction of the forward propagating crack with the stress waves being reflected back by the boundaries of the specimen that triggers the dynamic instability and hence the branching of cracks in micron-sized specimens. The potential application of the method and future work for improvements are discussed.     

冲击载荷作用下黑砂岩动态断裂参数的分形修正

基于分形理论研究了偏折裂纹扩展路径对动载荷作用下黑砂岩的动态断裂力学参数的测试误差影响作用,采用传统的分离式霍普金森压杆（split Hopkinson pressure bar, SHPB）实验装置对修正侧开单裂纹半孔板（improved single cleavage semi-circle specimen, ISCSC）试样进行动态冲击实验,随后采用裂纹扩展计进行裂纹起裂时间与裂纹扩展速度等动态断裂力学参数测试,采用分形理论对测试的裂纹扩展速度与动态应力强度因子进行修正,利用实验-数值法对黑砂岩的动态断裂韧度进行计算。研究结果表明,ISCSC构型构件能够有效应用于岩石材料动态裂纹扩展行为的研究,并发生了止裂现象,经分形修正的裂纹扩展速度与动态断裂韧度更接近实际裂纹动态扩展情况,修正前后得到黑砂岩材料的裂纹扩展速度误差为33.51%,动态断裂韧度最大误差为7.68%,说明利用分形理论对动态断裂韧度等动态断裂参数计算更合理。     

Equivalent thickness conception for corner cracks

Thickness dependence of the one-parameter-based fracture toughness has been well recognized and widely studied. However, it is still a challenge to predict the fracture of structures with curved cracks from the fracture toughness data obtained from the standard through-the-thickness cracked specimens. The complicated three-dimensional (3D) stress fields near the crack front play a vital role in the fracture strength of materials. Based on a systematical numerical study of the 3D stress fields near the crack tip of quarter elliptic corner cracks and comparison with that of ideal through-the-thickness cracks, an equivalent thickness conception for curved cracks is proposed from the viewpoint of out-of-plane constraint, and a semi-analytical solution for the equivalent thickness of corner cracks is obtained. With the evaluated equivalent thickness, the fracture toughness of corner cracked specimens is predicted efficiently by the plane-strain toughness value of the material obtained from the standard through-the-thickness specimen.     

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.     

Finite size and geometrical non-linear effects during crack pinning by heterogeneities: An analytical and experimental study

Crack pinning by heterogeneities is a central toughening mechanism in the failure of brittle materials. So far, most analytical explorations of the crack front deformation arising from spatial variations of fracture properties have been restricted to weak toughness contrasts using first order approximation and to defects of small dimensions with respect to the sample size. In this work, we investigate the non-linear effects arising from larger toughness contrasts by extending the approximation to the second order, while taking into account the finite sample thickness. Our calculations predict the evolution of a planar crack lying on the mid-plane of a plate as a function of material parameters and loading conditions, especially in the case of a single infinitely elongated obstacle. Peeling experiments are presented which validate the approach and evidence that the second order term broadens its range of validity in terms of toughness contrast values. The work highlights the non-linear response of the crack front to strong defects and the central role played by the thickness of the specimen on the pinning process.     

Dynamic fracture instabilities in brittle crystals generated by thermal phonon emission: Experiments and atomistic calculations

Dynamic cleavage fracture experiments of brittle single crystal silicon revealed several length scales of surface and path instabilities: macroscale path selection, mesoscale crack deflection, and nanoscale surface ridges. These phenomena cannot be predicted or explained by any of the continuum mechanics based equations of motion of dynamic cracks, as presumably critical energy dissipation mechanisms are not fully accounted for in the theories. Experimentally measured maximum crack speed, always lower than the theoretical limit, is another phenomenon that is as yet not well understood.We suggest that these phenomena depend on velocity dependent and anisotropic material property that resists crack propagation. The basic approach is that the bond breaking mechanisms during dynamic crack propagation vibrate the atoms at the crack front to generate thermal phonon emission, or heat, which provides additional energy dissipation mechanisms. This energy dissipation mechanism is a material property that resists crack propagation. To evaluate this property, we combined the continuum based elastodynamic Freund equation of motion with molecular dynamics atomistic computer “experiments”.We analyzed the above experimental dynamic fracture instabilities in silicon with the obtained velocity dependent and anisotropic material property and show its importance in cleavage of brittle crystals.     

Dynamic toughness in elastic nonlinear viscous solids

This work addresses the interrelationship among dissipative mechanisms—material separation in the fracture process zone (FPZ), nonelastic deformation in the surrounding background material and kinetic energy—and how they affect the macroscopic dynamic fracture toughness as well as the limiting crack speed in strain rate sensitive materials. To this end, a micromechanics-based model for void growth in a nonlinear viscous solid is incorporated into a microporous strip of cell elements that forms the FPZ. The latter is surrounded by background material described by conventional constitutive relations. In the first part of the paper, the background material is assumed to be purely elastic. Here, the computed dynamic fracture toughness is a convex function of crack velocity. In the second part, the background material as well as the FPZ are described by similar rate-sensitivity parameters. Voids grow in the strain rate strengthened FPZ as the crack velocity increases. Consequently, the work of separation increases. By contrast, the inelastic dissipation in the background material appears to be a concave function of crack velocity. At the lower crack velocity regime, where dissipation in the background material is dominant, toughness decreases as crack velocity increases. At high crack velocities, inelastic deformation enhanced by the inertial force can cause a sharp increase in toughness. Here, the computed toughness increases rapidly with crack velocity. There exist regimes where the toughness is a non-monotonic function of the crack velocity. Two length scales—the width of the FPZ and the ratio of the shear wave speed to the reference strain rate—can be shown to strongly affect the dynamic fracture toughness. Our computational simulations can predict experimental data for fracture toughness vs. crack velocity reported in several studies for amorphous polymeric materials.     

Mode mixity and nonlinear viscous effects on toughness of interfaces

This paper examines steady-state crack growth at interfaces between polymeric materials and hard substrates under quasi-static conditions. The polymeric material is taken to be an elastic nonlinear viscous solid while the substrate is treated as a rigid material. Void growth and coalescence in the rate-dependent fracture process zone is modeled by a nonlinear viscous porous strip of cell elements. In the first part of this paper, the polymeric background material surrounding the process zone is assumed to be purely elastic. Under fixed mode mixity, the computed interface toughness is found to be a monotonically increasing function of crack velocity; toughness also increases rapidly with higher rate sensitivity. This behavior can be explained in terms of voids growing in a strain-rate strengthened process zone. In the second part of the paper, the background material is also treated as an elastic nonlinear viscous solid. The competition between work of separation in the process zone and energy dissipation in the background material leads to a U-shaped toughness–crack velocity curve. Effects of mode mixity, initial porosity, rate sensitivity, as well as the initial yield strain on toughness are studied. The simulations produce trends that agree with interface toughness vs. crack velocity data reported in experimental studies for rubber toughened epoxy-paste adhesive and urethane acrylate adhesive.     

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...     

U形切口的有限断裂准则

有限断裂力学准则综合了应力和能量参数,假设裂纹或切口端部有限裂纹长度的增长．特别地,该有限裂纹的长度不是材料的基本常数,而是与构件的结构有关．基于U形切口两种形式：点方式和线方式有限断裂准则,对文献中的铝合金U形切口三点弯曲断裂实验进行了分析验证．一方面基于材料的断裂韧度和抗拉强度,预测切口件断裂载荷;另一方面根据几组不同的切口根部半径及其对应的临界切口应力强度因子,同时估算材料的断裂参数：断裂韧度和抗拉强度．将点方式和线方式两种不同形式有限断裂准则的预测结果,与平均周向应力准则、最大周向应力准则以及文献中相关结果进行了比较得出：无论是预测断裂载荷还是估算材料断裂参数,线方式有限断裂准则,与文献中相关结果比较吻合,尤其是估算的断裂韧度精度较高．     

Numerical simulations of crack deflection at a twist-misoriented grain boundary between two ideally brittle crystals

Finite-element simulations are used to model crack propagation across twist-misoriented grain boundaries, which are an important source of toughness in lamellar microstructures such as TiAl. We consider a twist grain boundary (GB) between two adjacent grains, and assume that each grain has a single cleavage orientation. The cleavage planes and GB are modeled as a set of cohesive surfaces, and the crack path and effective toughness of the system are simulated using a dynamic finite-element method (FEM). As the crack approaches the GB under remote mode I loading, it is allowed to either deflect along the GB and/or induce the nucleation of a periodic array of cracks in the adjacent grain. The simulations predict (i) a critical toughness ratio between the GB and the cleavage planes for the crack to propagate into the adjacent grain; (ii) an array of cracks in the GB and the twisted grain; (iii) the macroscopic mode I toughness of the solid as a function of a generalized measure of crack length; and (iv) the influence of GB toughness and twist misorientation on the effective toughness of the solid.     

Fracture detection problems:: applications and limitations of the energy momentum tensor and related invariants

We show that under certain circumstances, if displacement measurements are made inside and⧸or outside a body, it is possible to use two in variants based on the energy momentum tensor to determine (to some extent) the crack direction and length for cracks in bidimensional problems or the crack direction and area for cracks in three dimensional problems. This is done for a certain family of non-linear materials with a given toughness which includes linearly elastic materials with quadratic strain energy and power law elastic. One of the limitations is that the crack must be straight in 2D or planar in 3D.     

Prediction of mixed-mode fracture based on an elasto–plastic energy balance criterion

The maximum energy release rate criterion, i.e., G _max criterion, is commonly used for crack propagation analysis. This fracture criterion is based on the elastic macroscopic strength of materials. In the present investigation, however, the G _max criterion has been modified in order to accommodate the consideration of plastic strain energy. This modified criterion is extended to study the fatigue crack growth characteristics of mixed-mode cracks. To predict crack propagation due to fatigue loads, a new elasto–plastic energy model is presented. This new model includes the effects of material properties such as strain hardening exponent n, yield strength σ _y , and fracture toughness and stress intensity factor ranges. The results obtained are compared with those obtained using the commonly employed crack growth law and the experimental data.     

多裂纹扩展分析的边界元方法

采用边界元数值模拟和即时等效材料常数计算相结合的办法，只需模拟一个裂纹的扩展情况便可预测裂纹体的整体响应。针对准脆性材料的特点，采用粘性裂纹模型模拟裂纹开裂行为；采用二次裂纹扩展量作为增量控制变量，避免了软化及失稳分析中用力或位移作控制变量时遇到的困难。针对二交裂纹扩展路径未知情况，给出了预测和修正裂纹开裂界面的迭代技术，分析计算了含多个规则分布裂纹石膏板受压时的响应，并与实验结果进行了比较。结果表明该文方法的可行性与有效性。     

利用维氏和玻氏压头表征半导体材料断裂韧性

压痕法是测量材料断裂韧性 ($K_{\rm IC})$ 的常用方法之一, 如何根据不同的材料、不同的压头选择适合的公式, 是当前面临的一大问题. 因此,在不同载荷下对单晶硅 (111) 和碳化硅 (4H-SiC, 0001面) 这两种半导体材料进行了维氏微米硬度和玻氏纳米压痕实验, 对实验产生的裂纹长度$c$进行了统计分析, 并采用13个压痕公式计算材料的$K_{\rm IC}$, 开展了微米划痕实验, 验证压痕法评估半导体材料$K_{\rm IC}$的适用性. 研究结果表明: 为了消除维氏压痕实验产生的$c$的固有离散性, 需要多次测量取平均值; 裂纹长度与压痕尺寸的比值随压痕载荷的增大而增大; 材料的裂纹类型与载荷相关且低载荷下表现为巴氏裂纹, 高载荷下表现为中位裂纹; 与微米划痕实验得到的单晶硅和碳化硅材料的$K_{\rm IC}$平均值 (分别为0.96 MPa,$\cdot$,$\sqrt{\rm m}$和2.89 MPa,$\cdot$,$\sqrt{\rm m}$) 相比, 在同一压头下无法从13个公式中获得同时适用于单晶硅和碳化硅材料的压痕公式,但在同一材料下可以获得同时适用于维氏和玻氏压头的$K_{\rm IC}$计算公式; 基于中位裂纹系统发展而来的压痕公式更适合用于评估半导体材料的$K_{\rm IC}$, 且维氏压头下的$K_{\rm IC}$与玻氏压头下$K_{\rm IC}$的关系不是理论上的1.073倍, 应为1.13$\pm 压痕法是测量材料断裂韧性(K_(IC))的常用方法之一,如何根据不同的材料、不同的压头选择适合的公式,是当前面临的一大问题.因此,在不同载荷下对单晶硅(111)和碳化硅(4H-Si C, 0001面)这两种半导体材料进行了维氏微米硬度和玻氏纳米压痕实验,对实验产生的裂纹长度c进行了统计分析,并采用13个压痕公式计算材料的K_(IC),开展了微米划痕实验,验证压痕法评估半导体材料K_(IC)的适用性.研究结果表明:为了消除维氏压痕实验产生的c的固有离散性,需要多次测量取平均值;裂纹长度与压痕尺寸的比值随压痕载荷的增大而增大;材料的裂纹类型与载荷相关且低载荷下表现为巴氏裂纹,高载荷下表现为中位裂纹;与微米划痕实验得到的单晶硅和碳化硅材料的K_(IC)平均值(分别为0.96 MPa·m~(1/2)和2.89 MPa·m~(1/2))相比,在同一压头下无法从13个公式中获得同时适用于单晶硅和碳化硅材料的压痕公式,但在同一材料下可以获得同时适用于维氏和玻氏压头的K_(IC)计算公式;基于中位裂纹系统发展而来的压痕公式更适合用于评估半导体材料的K_(IC),且维氏压头下的K_(IC)与玻氏压头下K_(IC)的关系不是理论上的1.073倍,应为1.13±0.01.     

Crack tip blunting and cleavage under dynamic conditions

In structural materials with both brittle and ductile phases, cracks often initiate within the brittle phase and propagate dynamically towards the ductile phase. The macroscale, quasistatic toughness of the material thus depends on the outcome of this microscale, dynamic process. Indeed, dynamics has been hypothesized to suppress dislocation emission, which may explain the occurrence of brittle transgranular fracture in mild steels at low temperatures (Lin et al., 1987). Here, crack tip blunting and cleavage under dynamic conditions are explored using continuum mechanics and molecular dynamics simulations. The focus is on two questions: (1) whether dynamics can affect the energy barriers for dislocation emission and cleavage, and (2) what happens in the dynamic “overloaded” situation, in which both processes are energetically possible. In either case, dynamics may shift the balance between brittle cleavage and ductile blunting, thereby affecting the intrinsic ductility of the material. To explore these effects in simulation, a novel interatomic potential is used for which the intrinsic ductility is tunable, and a novel simulation technique is employed, termed as a “dynamic cleavage test”, in which cracks can be run dynamically at a prescribed energy release rate into a material. Both theory and simulation reveal, however, that the intrinsic ductility of a material is unaffected by dynamics. The energy barrier to dislocation emission appears to be identical in quasi-static and dynamic conditions, and, in the overloaded situation, ductile crack tip behavior ultimately prevails since a single emission event can blunt and arrest the crack, preventing further cleavage. Thus, dynamics cannot embrittle a ductile material, and the origin of brittle failure in certain alloys (e.g., mild steels) appears unrelated to dynamic effects at the crack tip.     

The brittle fracture criterion based on the maximum tensile stress on the surface of blunt crack tip

The brittle fracture criterion is developed for a blunted crack. The curvature radius of the blunt crack tip is suggested as a characteristic length for brittle materials, and then the fracture toughness of the brittle materials can be determined from the cohesion strength and the characteristic length of the materials.