Crack Tip Blunting Research Articles

Ab Initio Molecular Dynamics Insights into Stress Corrosion Cracking and Dissolution of Metal Oxides

Oxide phases such as α-Fe2O3 (hematite) and α-Al2O3 (corundum) are highly insoluble in water; however, subcritical crack growth has been observed in humidity nonetheless. Chemically induced bond breaking at the crack tip appears unlikely due to sterically hindered molecular transport. The molecular mechanics of a crack in corundum with a reactive force field reveal minimal lattice trapping, leading to bond breaking before sufficient space opens for water transport. To address this, we model a pre-built blunt crack with space for H2O molecule adsorption at the tip and show that it reduces fracture toughness by lowering the critical J-integral. Then, we explore stress-enhanced dissolution to understand the mechanism of crack tip blunting in the oxide/water system. Density functional theory combined with metadynamics was employed to describe atomic dissolution from flat hematite and corundum surfaces in pure water. Strain accelerates dissolution, stabilizing intermediate states with broken bonds before full atom detachment, while the free energy profile of unstrained surfaces is almost monotonic. The atomistic calculations provided input for a kinetic model, predicting the shape evolution of a blunt crack tip, which displays three distinct regimes: (i) dissolution primarily away from the tip, (ii) enhanced blunting near but not at the apex, and (iii) sharpening near the apex. The transition between regimes occurs at a low strain, highlighting the critical role of water in the subcritical crack growth of oxide scales, with dissolution as the fundamental microscopic mechanism behind this process.

Fatigue crack growth due to spectrum load produced by trains in a bridge

The present paper studies fatigue crack growth (FCG) produced by a load pattern obtained numerically in a simulation of trains crossing a real bridge. It uses a model where the cyclic plastic deformation is assumed to be the main damage mechanism and that cumulative plastic strain at the crack tip is the driving parameter for FCG. The accumulation of damage was found to be very irregular along each load block, the major part occurring in the overload region. Plasticity induced crack closure is relatively high due to the periodic application of overloads, playing a major role. The overload produces crack tip blunting, increasing the effective load range in subsequent load cycles. The maximum elastic load range was quantified and used to eliminate load cycles not producing fatigue damage, which is important to reduce the numerical effort. The comparison of Finite Element Model (FEM) predictions with NASGRO results, showed that this gives a non-conservative difference of 23% in the number of load cycles after 1 mm of crack growth.

Very high cycle fatigue behavior of TC4 titanium alloy: Faceting cracking mechanism and life prediction based on dislocation characterization

This research analyzes the very-high-cycle-fatigue behavior of TC4 titanium alloy through fatigue tests at R = −1, −0.3, and 0.1. The results show that the S-N curves are all bilinear and exhibit three failure modes as surface slip failure, surface cleavage failure and interior cleavage failure. Transmission electron microscopy analysis reveals the dislocation structure in interior cleavage failure and suggests that the deformation mechanism of faceting cracking involves both anti-phase boundary shearing and stacking fault shearing mechanisms. It concludes that interior failure results from cleavage fracture of α grains due to dislocation slip. Based on the stress intensity factor of the maximum defect, a slip-cleavage competitive failure model was developed by considering factors such as control volume, defect size, external loading, and grain content, with good predictive results. Additionally, on the basis of the failure mechanism and crack propagation rate model, considering the coupled effects of crack tip blunting, stress ratio, Vickers hardness, and material fracture toughness on crack propagation, the crack propagation life prediction model is constructed. The life prediction model is further modified to be more conservative and accurate in predicting life by consideration the maximum defect size, providing important theoretical support and practical guidance for engineering applications.

The role of secondary voids in the mechanism of ductile fracture at a crack tip

The mechanics and mechanisms of ductile fracture, ahead of a blunting crack tip, have been studied extensively. Several computational studies analyzing the effect of initial void volume fraction, void shape, void spatial distribution and the mode of loading (KI,KII etc.) on crack-void interaction and its consequence on the mechanism of fracture have been reported. The influence of small size secondary voids on the failure of ligament between the large primary voids and, hence, on fracture toughness has been analyzed using the Gurson-type homogenized models of ductile fracture. In the present work, the two populations of voids ahead of a crack tip are modeled discretely. A plane strain, central line cracked boundary layer model under small-scale yielding is considered. The role of initial shape and spatial distribution of secondary voids, matrix strain hardening and mode of imposed loading in the mechanism of ductile crack growth initiation and advance is analyzed in detail. For completeness sake, numerical calculations are also performed using a homogenized representation of the secondary voids. The results so obtained are then compared with the predictions based on discrete modeling of the secondary voids. Our numerical studies revealed that plastic flow localization resulting from a small initial volume fraction of favorably distributed secondary voids may alter the path of crack growth initiation and advance, thus, influencing the ductile fracture toughness.

Integrated manufacturing of powder metallurgy preparation-thixoforming for Al0.8Co0.5Cr1.5CuFeNi HEA: Excellent formability and enhancement by in-situ generated Al2O3 in liquid phase

Thixoforming displays wild application prospects in manufacturing Cu containing high entropy alloy (HEA) product. In current work, we proposed a novel manufacturing strategy on powder metallurgy preparation-thixoforming for Cu containing HEAs, integrating material preparation, shaping and strengthening objectives. During thixoforming, oxide in-situ generation in liquid phase was utilized to reinforce soft phase, achieving the strengthening of component. Based on this strategy, manufacturing of disc-shaped component for a model Al0.8Co0.5Cr1.5CuFeNi HEA was studied. Compared to 1175 °C thixoforming, room-temperature strength experiences a breakthrough increase at 1200 °C and 1225 °C, accompanied by an increase in yield strength of 323.8 MPa and 314.8 MPa, an increase in ultimate strength of 374.2 MPa and 470.0 MPa, meanwhile, fracture strain improves, which is caused by a considerable amount of in-suit generated Al2O3. Homogeneous and almost defect free microstructure obtained under higher temperature conditions ensures uniformity of mechanical properties for the whole component. As thixoforming temperature increases, preferred orientation of grain fiber shape becomes random, plastic deformation of solid grain (PDS) turns to flow of liquid incorporating solid particles (FLS), sliding between solid particles (SS) during material flow filling, which effectively reduces material damage risk caused by strain localization. In-situ generated Al2O3 in liquid phase helps to hinder crack propagation and blunt crack tip in Cu rich soft phase. Al2O3 only strengthens soft phase, relieving mismatch of strength-plasticity properties between soft and hard phase, accordingly, failure of soft phase is delayed and simultaneous improvement of strength and plasticity is achieved.

Fracture Mechanisms and Crack Propagation in Monolayer Ti3C2Tx under Nanoindentation: The Influence of Surface Terminations and Vacancy Defects.

Monolayer MXenes are a novel class of two-dimensional transition metal carbides/nitrides with fascinating physicochemical properties. Despite recent advances in the study of MXenes' mechanical properties, a comprehensive understanding of the fundamental physical mechanisms that affect fracture due to surface terminations and vacancy defects in MXenes under nanoindentation remains largely unexplored. Here, we address this gap using molecular dynamics simulations and nanoindentation theory to investigate the effects of surface terminations and vacancy defects on the fracture behavior of Ti3C2Tx MXenes. By inducing the rupture of monolayer MXenes through nanoindentation, we find that bare Ti3C2 exhibits brittle fracture behavior. The presence of surface terminations and vacancy defects reduces the load-carrying capacity and flexibility of MXenes. Interestingly, surface terminations increase the stiffness of the structure, while vacancy defects have the opposite effect. We also find that high concentrations of surface oxidation impart ductile fracture characteristics to MXenes and increase the maximum crack length at failure. Additionally, defects exceeding the critical concentration can effectively prevent brittle crack propagation by causing frequent crack deflection and blunting crack tips. Combining these findings, we propose a new strategy to synergistically enhance the fracture toughness of MXenes through high concentrations of surface oxidation and vacancy defects exceeding the critical concentration without significantly affecting strength and stiffness, thereby avoiding catastrophic failure in MXene monolayers due to brittle fracture. This work provides fundamental insights into the mechanical properties and fracture mechanisms of monolayer MXenes.

Hierarchical nanolayered structures-enabled record-high fracture resistant zircaloy

As a widely used nuclear structural material, zirconium (Zr) alloys are susceptible to brittle hydride-induced cracking. The intrinsic inability to arrest this cracking tendency in Zr poses a significant threat to the service safety of Zr cladding tubes. Here, we propose a microstructural design strategy, by introducing a hierarchical nanolayered duplex-phase structure in the Zr-2.5Nb alloy, to effectively inhibit the propagation of cracks. An unprecedented fracture toughness of KJIc ∼ 165 MPa·m1/2, corresponding to JIc ∼ 256 kJ/m2, is achieved due to the uniform and dense plastic deformation that develops ahead of the crack tip, which is uncharacteristic of Zr-based materials. Our analysis reveals that the effective crack tip blunting occurs because the high density of multiply oriented α/β interfaces in the hierarchical Zr-2.5Nb alloy stimulates ample <c+a> dislocations and facilitates deformation twin nucleation, both of which are challenging to activate in conventional Zr-based materials at room temperature. The exceptional fracture toughness enabled by the hierarchical nanolayered structure provides a new pathway to designing damage-tolerant hexagonal metals for safety-critical applications.

Molecular dynamics simulation of crack growth in nanocrystalline nickel considering the effect of accumulated plastic deformation

Molecular dynamics simulations are conducted to investigate atomic stress and plastic strain distribution in pre-cracked crystalline nickel, along with microstructure evolution. The plastic strain calculation method is improved by refining neighboring atom selection. A new parameter for measuring plastic strain concentration allows for comparison across different crystallographic directions. The effects of temperature, strain rate, crystallographic direction, loading mode, grain boundary and grain size are evaluated. At elevated temperature, crack tip blunting becomes obvious, and crack propagation decelerates. The crack propagates through void nucleation, growth, and eventual linkage with the original crack. Higher temperature increases the plasticity limit of void nucleation. Strain rates show a positive correlation with plasticity limit but a negative correlation with crack growth rate and final length. Crystallographic direction influences crack propagation, with crystal 100 exhibiting significant crack propagation, while 110 and 111 demonstrating marked resistances to crack propagation. Crystal 100 has the highest plastic deformation concentration near the crack tip. Loading mode affects plastic deformation accumulation. In-plane shear results in less plastic deformation and less obvious crack propagation. In bi-crystals, the relative rotation angle between grains significantly influences crack propagation. X-rotation of the right grain most significantly impedes crack propagation, while y- and z-rotation tend to cause the crack to cross the grain boundary. In polycrystals, plastic deformation accumulation at grain boundaries is significant, with the crack tending to propagate along grain boundaries. Plastic strain and concentration parameter peaks are lower in grain boundaries than in single crystals, indicating weaker stability. The results demonstrate that the failure process of crystalline nickel is intricately linked to the stress and plastic strain distribution around the crack tip. The plastic strain and concentration parameter are more accurate predictors of crack propagation than atomic stress.

High-temperature fracture behavior of an α/β Titanium alloy manufactured using laser powder bed fusion

The room and high temperature (up to 600 °C) mechanical properties, with emphasis on the fracture toughness and fatigue resistance, of an α/β titanium alloy that was additively manufactured using the laser powder bed fusion (LPBF) technique were evaluated in the as-printed (α’ lath martensite with negligible β phase content) and heat-treated (α/β structure with a significant volume fraction of the β phase) states for critically examining the β phase's role in the fracture and fatigue behavior (given the significantly higher diffusion rates of various species in β compared to α). Experimental results reveal that the heat-treated sample exhibits superior ductility and fracture initiation toughness at elevated temperatures, compared to the as-printed sample, due to the presence of β ligaments in the former. They also prevent strain localization along the prior β grain boundaries, and their absence in the as-printed state leads to cracking along those boundaries. While the fatigue crack growth (FCG) rates in both the as-printed and heat-treated samples deteriorated with increasing temperature, the threshold for FCG generally increased, which is attributed to creep-induced crack tip blunting. Moreover, a double Paris exponent phenomenon is observed for the heat-treated sample at 300 °C, attributed to the hydrogen-assisted crack growth, with β phase providing an accelerated diffusion pathway. Overall, the experimental results and their analyses illustrate the intricate relationship between creep, hydrogen diffusion, and the β phase in dictating the fracture behavior of LPBF α/β titanium at elevated temperatures.

Effects of fluid composition and salinity on subcritical crack growth in granite

Using the double-torsion technique, the fracture mechanical response of granite specimens was investigated under the influence of fluid with different electrolyte types and salinities. The fracture toughness (KIC) and critical mechanical energy release rate (G0) of the granite in electrolyte solution are weakened compared to those in distilled water. The KIC in all electrolyte solutions is 2.08–2.28 MPa·m1/2, which is 8.4 % − 16.5 % lower than that in distilled water, and it is insensitive to ion type and salinity. In contrast, the subcritical crack growth index (n) shows different salinity dependence in three salt (AlCl3, CaCl2, and NaCl) solutions. The slight increase in n with rising salinity of the AlCl3 solution is attributed to crack tip blunting caused by over-dissolution of minerals. The n and G0 decrease and then increase with rising salinity of CaCl2 solution, which may be related to the salinity-dependent dissolution rate of quartz and the weakening of repulsive force between crack surfaces. The n and G0 shows a negative correlation with salinity and decrease by 26.4 % and 15.4 %, respectively as the NaCl salinity increases from 0.1 M to 1.0 M. Limitations in the dissolution reactions of the main minerals (albite, biotite and diopside) is accountable for enhancement of n in silica solutions. Experimental results emphasize the critical and subcritical fracture behavior of the granite in response to chemically reactive fluids with implications for both hydraulic fracture stimulations in geothermal fields and caprock integrity for CO2 sequestration. In these applications, the fracture properties of the reservoir rock can be enhanced or weakened by changing the electrolyte type and salinity of the fluid, depending on the actual requirements.

The role of hydrogen embrittlement in the near-neutral pH corrosion fatigue of pipeline steels

This study confirms that "Near-neutral pH Stress Corrosion Cracking" in steel pipelines propagates by hydrogen-enhanced corrosion fatigue. A critical cyclic loading frequency where maximum growth rate per cycle exists. The critical frequency at different temperatures is verified to correspond to hydrogen diffusion predictions. Growth is limited by crack-tip blunting below this frequency and hydrogen diffusion above this frequency. The critical frequency occurs when crack-tip deformation mechanisms that blunt the crack during the stress cycle overwhelm additional enhancement from diffusion. Growth occurs along cleavage planes and ductile slip planes, indicating hydrogen embrittlement, hydrogen-induced plasticity, and fatigue contribute to crack growth.

Fatigue crack growth in AA6082-T6/AA7050-T6 bi-materials: Effect of plastic zone ahead of crack tip

The main objective here is the understanding of the effect of plastic zone ahead of crack tip on fatigue crack growth (FCG). For that, a numerical simulation of FCG was made, based on cumulative plastic strain, considering a bi-material composed by the 6082-T6 and 7050-T6 aluminium alloys. The first one has a lower yield stress but a higher critical cumulative plastic strain. The values of da/dN are higher for the 6082-T6 which means that the effect of the easier plastic deformation dominates over the effect of the higher critical cumulative plastic strain. The bi-material 6082-7050 showed a pronounced decrease of da/dN near the interface, which starts when the monotonic plastic zone ahead of crack tip reaches the material transition. This indicates that the crack tip deformation is affected by the material inside the monotonic plastic zone. On the other hand, the bi-material 7050-6082 shows an accentuated increase of da/dN, which starts when plastic deformation is observed ahead of transition. The elimination of the contact of crack flanks reduces drastically the transient effects, which indicates that these are linked with plasticity induced crack closure effects. Crack tip blunting was proposed to be the mechanism of plasticity induced crack closure explaining the trends observed.

Tuning chemical short-range order for simultaneous strength and toughness enhancement in NiCoCr medium-entropy alloys

The pursuit of enhancing strength and toughness remains a critical endeavor in the field of structural materials. This study explores two distinct strategies to overcome the traditional strength-toughness trade-off. Specifically, we manipulate the chemical composition and short-range order (SRO) of the NiCoCr medium-entropy alloy, which has shown remarkable fracture toughness in recent experiments. Utilizing molecular dynamics simulations, we uncover nano-scale deformation mechanisms during crack propagation. Our findings highlight that optimizing the SRO degree leads to improvements in both atomic scale strength and toughness defined as the area underneath stress-strain curves from MD simulations. In contrast, a trade-off between strength and toughness persists when only manipulating the Ni content in the NiCoCr alloy. Based on the simulation results, we establish a strong correlation between toughness, strength, surface energies, and unstable stacking fault energies. These factors are influenced by the chemical composition and SROs in NiCoCr, with SROs acting as strong obstacles to dislocations, thereby contributing to additional strength. The exceptional toughness of NiCoCr with SRO arises from a synergy of intrinsic and extrinsic mechanisms, including dislocation glide, nanobridging during nanovoid coalescence and zigzag crack path. It is found that, in the presence of SRO, intrinsic toughening mechanisms usually associated with crack tip blunting and dissipation can also facilitate the onset of extrinsic toughening mechanisms of nanobridging and zig-zag crack path associated with nanovoid formation and coalescence. This study emphasizes the importance of tailoring SRO in designing materials with enhanced strength and toughness.

Grain structure tailoring strategy for heterogeneous lamella SiCp/2024Al composites with exceptional strength-ductility synergy

In this work, a novel grain structure tailoring strategy using one-stepped planetary ball milling, different from conventional powder metallurgy routes that pre-prepared components with different microstructures and then mixed them up, was implemented to fabricate micro- and nano-sized SiC particles (m- & n-SiCp)/2024Al composites with heterogeneous lamella structure. The controllable transformation from homogeneous to heterogeneous grain structures is achieved via nonuniformly distributed n-SiCps induced local grain refinement. Heterogeneous lamella composites exhibit a superior modulus-strength-ductility synergy of 95.3 GPa in Young's modulus, 750.7 MPa in tensile strength and 4.9 % in uniform elongation, particularly with no less than 145 % and 175 % improvements in ductility and toughness, compared with homogeneous composites. Compressive stress relaxation experiments were conducted to reveal the structural dependence of plastic deformation behaviors. Sustainedly rising hetero-deformation induced (HDI) stress produced by extra geometrically necessary dislocation (GND) accumulation at heterogeneous soft/hard domain interfaces and sequential activation of multiple dislocation mediated mechanisms based on load transfer in heterogeneous lamella composites contribute to the enhanced strain hardening capacity, which offers intrinsic toughening. Also, extrinsic toughening originates from enhanced microcrack multiplication and crack-tip blunting.

The role of hydrogen in promoting differences in fatigue crack growth rates observed in Type 304/304L stainless steel at elevated temperature

Hydrogen has been postulated to affect fatigue crack growth rates (FCGRs) in Type 304/304L stainless steel during exposure to high purity water (HPW) environments at elevated temperature. To assess this mechanism, FCGR testing was performed at elevated temperature (260°C) in air and pressurized hydrogen gas. Initial results indicate the measured FCGRs in hydrogen are up to 8x lower than those measured in air under comparable fatigue loading conditions. Post-test evaluation of compact tension specimens indicates crack mouth opening displacements and fracture surface morphologies generated in hydrogen that are consistent with those generated in HPW environments. Observations of crack tip blunting suggest the reduced FCGRs in elevated temperature hydrogen occur due to a decrease in the effective ΔK. Finite element plasticity modeling, using a hydrogen-dependent nonlinear kinematic hardening approach, supports the hypothesis that crack tip blunting and retarded FCGRs are due to a hydrogen-based change in cyclic behavior (e.g. cyclic creep) occurring ahead of the fatigue crack tip.

Evolution from near-neutral to high-pH environments susceptible to stress corrosion cracking: The role of sulfate and bicarbonate

Stress corrosion cracking (SCC) testing was conducted on pipeline steels to investigate the transition from near-neutral to high-pH environments via solution evaporation and concentration. The study clarified the roles of sulfate and bicarbonate in enhancing crack dissolution and their impacts on SCC. In sulfate-absent concentrated solutions, intergranular branching primarily resulted from direct propagation from the crack tip, accompanied by microcrack coalescence. The presence of sulfate effectively halted further growth by inducing crack-tip blunting, thereby reducing the mechanical driving force for crack propagation. This explanation clarifies why regions ideal for SCC exhibit no reported incidents, offering strategies for SCC mitigation.

Microstructure evolution during fracture process of gradient twinned ag using molecular dynamics

In recent years, the materials with high strength and good toughness have become a focus of intense research. In this paper, FCC Ag with three different microstructures: single crystal (SC), uniformly arranged twin boundaries (UTB), and gradient arranged twin boundaries (GTB), are designed and compared during the fracture process through molecular dynamics simulation. The result shows that both strength and toughness are the highest in GTB, followed by UTB, and lowest in SC. Differences in three microstructural evolutions are compared to explain macroscopic strength and toughness differences. For SC, brittle cleavage dominates the fracture process, accompanied by the generation of a large number of shear bands. While in UTB, brittle cleavage and crack deflection occur successively, and the propagation of numerous shear bands is segmented by twin boundaries, resulting in the improvement toughness and strength. For GTB, crack tip bluntness and dislocation transmission occur sequentially during the crack initiation stage, and the emitted dislocations discontinuously bridge the gradient arranged twin boundaries and crack tip, which causes the reduction of the local stress and strain experienced by the crack tip. In addition, the shear bands formed from the crack tip in GTB are impeded by the gradient arranged twin boundaries, effectively slowing down the propagation of the plastic zone and the crack tip. The above microstructural mechanisms work together to make GTB exhibit high strength and toughness during the fracture process. Finally, the role of dislocation types is analyzed, Hirth dislocations are activated in advance in GTB, leading to crack tip blunting. The Stair-rod dislocations near the stress peak impedes the plastic deformation in GTB, effectively improves toughness and suppresses the strength decline trend in GTB. This study helps to understand the relationship between microscopic deformation and macroscopic properties of gradient nanotwinned materials.

Effect of Shrinkage Versus Hydrogen Pores on Fatigue Life of Cast AlSi11Mg Alloy

AbstractShrinkage pores in cast aluminum components are often the reason for premature failure during cyclic loading due to their large size and fissured morphology. Complete avoidance is technically not possible due to processing constraints, but shrinkage pores can be substituted by significantly smaller and spherical gas pores by means of controlled hydrogen upgassing. The newly developed and simulation-optimized casting system enables precise and reproducible casting of various pore distributions, which have been extensively characterized. Correlations between shrinkage vs. hydrogen pores and fatigue behavior were quantified concerning very high cycle fatigue and crack propagation behavior as well as analyzed by 3D µ-CT to identify the failure mechanisms. In the as-cast condition, fissured shrinkage pores, especially near the surface, lead to crack initiation and premature fatigue failure. The strong scattering of fatigue life can be significantly reduced by the controlled insertion of hydrogen pores. Furthermore, the experimental studies indicate that hydrogen pores increase the critical crack growth threshold and reduce the crack propagation rate by crack deflection, crack splitting and crack tip blunting.

Study on the multi‐scale online fatigue crack deformation and growth behaviors under overload in Q&amp;P steel

AbstractThe multi‐scale online fatigue crack deformation and growth behaviors under single overload (SOL) and periodic overload (POL) case in Quenching and Partitioning (Q&amp;P) steel were studied using two micro cameras and sub‐image stitching and matching digital image correlation (DIC) method. Firstly, the microscopic crack tip speckle images and crack images on both sides of the compact tension (CT) specimen during the fatigue crack growth (FCG) process were collected under different overload parameters. Then, the FCG overload retardation, crack tip closing and blunting behaviors, and the crack tip strain distribution and evolution, overload retardation mechanism were analyzed. In addition, the corresponding multi‐scale FCG morphological characteristics and material microstructure under overload case were observed. The results indicate that the overload ratio and interval affect the overload retardation effect of Q&amp;P steel seriously; the overload crack tip blunting and plastic zone are the major factors inducing the overload retardation effect in Q&amp;P steel.

Possibility of High Ionic Conductivity and High Fracture Toughness in All-Dislocation-Ceramics.

Based on the results of numerical calculations as well as those of some related experiments which are reviewed in the present paper, it is suggested that solid electrolytes filled with appropriate dislocations, which is called all-dislocation-ceramics, are expected to have considerably higher ionic conductivity and higher fracture toughness than those of normal solid electrolytes. Higher ionic conductivity is due to the huge ionic conductivity along dislocations where the formation energy of vacancies is considerably lower than that in the bulk solid. Furthermore, in all-dislocation- ceramics, dendrite formation could be avoided. Higher fracture toughness is due to enhanced emissions of dislocations from a crack tip by pre-existing dislocations, which causes shielding of a crack tip, energy dissipation due to plastic deformation and heating, and crack-tip blunting. All-dislocation-ceramics may be useful for all-solid-state batteries.