Atomistic simulations of crack nucleation and intergranular fracture in bulk nanocrystalline nickel

We report large scale molecular dynamics simulations of dynamic cyclic uniaxial tensile deformation of pure, fully dense nanocrystalline Ni, to reveal the crack initiation, and consequently intergranular fracture is the result of coalescence of nanovoids by breaking atomic bonds at grain boundaries and triple junctions. The results indicate that the brittle fracture behavior accounts for the transition from plastic deformation governed by dislocation to one that is grain-boundary dominant when the grain size reduces to the nanoscale. The grain-boundary mediated plasticity is also manifested by the new grain formation and growth induced by stress-assisted grain-boundary diffusion observed in this work. This work illustrates that grain-boundary decohesion is one of the fundamental deformation mechanisms in nanocrystalline Ni.

A BIEM optimization method for fracture dynamics inverse problem

In the present paper, based on the theory of dynamic boundary integral equation, an optimization method for crack identification is set up in the Laplace frequency space, where the direct problem is solved by the author's new type boundary integral equations and a method for choosing the high sensitive frequency region is proposed. The results show that the method proposed is successful in using the information of boundary elastic wave and overcoming the ill-posed difficulties on solution, and helpful to improve the identification precision.

Cauchy singular integral equation method for transient antiplane dynamic problems

In this paper, by use of the boundary integral equation method and the techniques of Green basic solution and singularity analysis, the dynamic problem of antiplane is investigated. The problem is reduced to solving a Cauchy singular integral equation in Laplace transform space. This equation is strictly proved to be equivalent to the dual integral equations obtained by Sih [Mechanics of Fracture, Vol. 4. Noordhoff, Leyden (1977)]. On this basis, the dynamic influence between two parallel cracks is also investigated. By use of the high precision numerical method for the singular integral equation and Laplace numerical inversion, the dynamic stress intensity factors of several typical problems are calculated in this paper. The related numerical results are compared to be consistent with those of Sih. It shows that the method of this paper is successful and can be used to solve more complicated problems. Copyright (C) 1996 Elsevier Science Ltd

Influence of inertial and thermal effects on the dynamic growth of voids in porous ductile materials

The influence of inertial, thermal and rate - sensitive effects on the void growth at high strain rate in a thermal - viscoplastic solid is investigated by means of a theoretical model presented in the present paper. Numerical analysis of the model suggests that inertial, thermal and rate - sensitive effects are three major factors which greatly influence the behavior of void growth in the high strain rate case. Comparison of the mathematical model proposed in the present work and Johnson's model shows that if the temperature - dependence is considered, material viscosity eta can take the experimentally measured values.

The interlaminar fracture-behavior and toughening mechanisms of new carbon-fiber-reinforced bismaleimide composites

The interlaminar fracture behaviour of carbon fibre-reinforced bismaleimide (BMI) composites prepared by using a new modified BMI matrix has been investigated by various methods. Laminates of three typical stacking sequences were evaluated. Double cantilever beam, end-notch flexure and edge-delamination tension tests were conducted under conventional conditions and in a scanning electron microscope. The strain energy release rates in Mode I and Mode III G(lc) and G(llc), as well as the total strain energy release rate, G(mc), have been determined and found to be higher than those for laminates with an epoxy matrix. Dynamic delamination propagation was also studied. The toughening mechanisms are discussed.

Algorithm for simulating fracture processes in concrete by lattice modeling

To simulate fracture behaviors in concrete more realistically, a theoretical analysis on the potential question in the quasi-static method is presented, then a novel algorithm is proposed which takes into account the inertia effect due to unstable crack propagation and meanwhile requests much lower computational efforts than purely dynamic method. The inertia effect due to load increasing becomes less important and can be ignored with the loading rate decreasing, but the inertia effect due to unstable crack propagation remains considerable no matter how low the loading rate is. Therefore, results may become questionable if a fracture process including unstable cracking is simulated by the quasi-static procedure excluding completely inertia effects. However, it requires much higher computational effort to simulate experiments with not very high loading rates by the dynamic method. In this investigation which can be taken as a natural continuation, the potential question of quasi-static method is analyzed based on the dynamic equations of motion. One solution to this question is the new algorithm mentioned above. Numerical examples are provided by the generalized beam (GB) lattice model to show both fracture processes under different loading rates and capability of the new algorithm.

Dynamic rupture simulation integrated with earthquake observations

Dynamic rupture simulations are unique in their contributions to the study of earthquake physics. The current rapid development of dynamic rupture simulations poses several new questions: Do the simulations reflect the real world? Do the simulations have predictive power? Which one should we believe when the simulations disagree? This thesis illustrates how integration with observations can help address these questions and reduce the effects of non-uniqueness of both dynamic rupture simulations and kinematic inversion problems. Dynamic rupture simulations with observational constraints can effectively identify non-physical features inferred from observations. Moreover, the integrative technique can also provide more physical insights into the mechanisms of earthquakes. This thesis demonstrates two examples of such kinds of integration: dynamic rupture simulations of the M_w 9.0 2011 Tohoku-Oki earthquake and of earthquake ruptures in damaged fault zones:

(1) We develop simulations of the Tohoku-Oki earthquake based on a variety of observations and minimum assumptions of model parameters. The simulations provide realistic estimations of stress drop and fracture energy of the region and explain the physical mechanisms of high-frequency radiation in the deep region. We also find that the overridding subduction wedge contributes significantly to the up-dip rupture propagation and large final slip in the shallow region. Such findings are also applicable to other megathrust earthquakes.

(2) Damaged fault zones are usually found around natural faults, but their effects on earthquake ruptures have been largely unknown. We simulate earthquake ruptures in damaged fault zones with material properties constrained by seismic and geological observations. We show that reflected waves in fault zones are effective at generating pulse-like ruptures and head waves tend to accelerate and decelerate rupture speeds. These mechanisms are robust in natural fault zones with large attenuation and off-fault plasticity. Moreover, earthquakes in damaged fault zones can propagate at super-Rayleigh speeds that are unstable in homogeneous media. Supershear transitions in fault zones do not require large fault stresses. In the end, we present observations in the Big Bear region, where variability of rupture speeds of small earthquakes correlates with the laterally variable materials in a damaged fault zone.

Discontinuous yielding and fracture initiation near a notch in mild steel

This thesis presents the results of an experimental investigation of the initiation of brittle fracture and the nature of discontinuous yielding in small plastic enclaves in an annealed mild steel. Upper and lower yield stress data have been obtained from unnotched specimens and nominal fracture stress data have been obtained from specimens of two scale factors and two grain sizes over a range of nominal stress rates from 10^2 to 10^7 lb/in.^2 sec at -111°F and -200°F. The size and shape of plastic enclaves near the notches were revealed by an etch technique.

A stress analysis utilizing slip-line field theory in the plastic region has been developed for the notched specimen geometry employed in this investigation. The yield stress of the material in the plastic enclaves near the notch root has been correlated with the lower yield stress measured on unnotched specimens through a consideration of the plastic boundary velocity under dynamic loading. A maximum tensile stress of about 122,000 lb/in.^2 at the instant of fracture initiation was calculated with the aid of the stress analysis for the large scale specimens of ASTM grain size 8 1/4.

The plastic strain state adjacent to a plastic-elastic interface has been shown to cause the maximum shear stress to have a larger value on the elastic than the plastic side of the interface. This characteristic of dis continuous yielding is instrumental in causing the plastic boundaries to be nearly parallel to the slip-line field where the plastic strain is of the order of the Lüder's strain.

Metaconcrete: Engineered aggregates for enhanced dynamic performance

This work presents the development and investigation of a new type of concrete for the attenuation of waves induced by dynamic excitation. Recent progress in the field of metamaterials science has led to a range of novel composites which display unusual properties when interacting with electromagnetic, acoustic, and elastic waves. A new structural metamaterial with enhanced properties for dynamic loading applications is presented, which is named metaconcrete. In this new composite material the standard stone and gravel aggregates of regular concrete are replaced with spherical engineered inclusions. Each metaconcrete aggregate has a layered structure, consisting of a heavy core and a thin compliant outer coating. This structure allows for resonance at or near the eigenfrequencies of the inclusions, and the aggregates can be tuned so that resonant oscillations will be activated by particular frequencies of an applied dynamic loading. The activation of resonance within the aggregates causes the overall system to exhibit negative effective mass, which leads to attenuation of the applied wave motion. To investigate the behavior of metaconcrete slabs under a variety of different loading conditions a finite element slab model containing a periodic array of aggregates is utilized. The frequency dependent nature of metaconcrete is investigated by considering the transmission of wave energy through a slab, which indicates the presence of large attenuation bands near the resonant frequencies of the aggregates. Applying a blast wave loading to both an elastic slab and a slab model that incorporates the fracture characteristics of the mortar matrix reveals that a significant portion of the supplied energy can be absorbed by aggregates which are activated by the chosen blast wave profile. The transfer of energy from the mortar matrix to the metaconcrete aggregates leads to a significant reduction in the maximum longitudinal stress, greatly improving the ability of the material to resist damage induced by a propagating shock wave. The various analyses presented in this work provide the theoretical and numerical background necessary for the informed design and development of metaconcrete aggregates for dynamic loading applications, such as blast shielding, impact protection, and seismic mitigation.

Deformation and fracture of impulsively loaded sandwich panels

Light metal sandwich panel structures with cellular cores have attracted interest for multifunctional applications which exploit their high bend strength and impact energy absorption. This concept has been explored here using a model 6061-T6 aluminum alloy system fabricated by friction stir weld joining extruded sandwich panels with a triangular corrugated core. Micro-hardness and miniature tensile coupon testing revealed that friction stir welding reduced the strength and ductility in the welds and a narrow heat affected zone on either side of the weld by approximately 30%. Square, edge clamped sandwich panels and solid plates of equal mass per unit area were subjected to localized impulsive loading by the impact of explosively accelerated, water saturated, sand shells. The hydrodynamic load and impulse applied by the sand were gradually increased by reducing the stand-off distance between the test charge and panel surfaces. The sandwich panels suffered global bending and stretching, and localized core crushing. As the pressure applied by the sand increased, face sheet fracture by a combination of tensile stretching and shear-off occurred first at the two clamped edges of the panels that were parallel with the corrugation and weld direction. The plane of these fractures always lay within the heat affected zone of the longitudinal welds. For the most intensively loaded panels additional cracks occurred at the other clamped boundaries and in the center of the panel. To investigate the dynamic deformation and fracture processes, a particle-based method has been used to simulate the impulsive loading of the panels. This has been combined with a finite element analysis utilizing a modified Johnson-Cook constitutive relation and a Cockcroft-Latham fracture criterion that accounted for local variation in material properties. The fully coupled simulation approach enabled the relationships between the soil-explosive test charge design, panel geometry, spatially varying material properties and the panel's deformation and dynamic failure responses to be explored. This comprehensive study reveals the existence of a strong instability in the loading that results from changes in sand particle reflection during dynamic evolution of the panel's surface topology. Significant fluid-structure interaction effects are also discovered at the sample sides and corners due to changes of the sand reflection angle by the edge clamping system. © 2012 Elsevier Ltd. All rights reserved.

Nanoscopic modelling of the adhesion, indentation and fracture characteristics of metallic systems via molecular dynamics simulations

Large-scale molecular dynamics simulations have been performed on canonical ensembles to model the adhesion and indentation characteristics of 3-D metallic nano-scale junctions in tip-substrate geometries, and the crack propagation in 2-D metallic lattices. It is shown that irreversible flows in nano-volumes of materials control the behaviour of the 3-D nano-contacts, and that local diffusional flow constitutes the atomistic mechanism underlying these plastic flows. These simulations show that the force of adhesion in metallic nano-contacts is reduced when adsorbate monolayers are present at the metal—metal junctions. Our results are in agreement with the conclusions of very accurate point-contact experiments carried out in this field. Our fracture simulations reveal that at low temperatures cleavage fractures can occur in both an elemental metal and an alloy. At elevated temperatures, the nucleation of dislocations is shown to cause a brittle-to-ductile transition. Limiting crack propagation velocities are computed for different strain rates and a dynamic instability is shown to control the crack movement beyond this limiting velocity, in line with the recent experimental results.

Relationship between microstructure and deformation behaviour during dynamic compression in Ti-3Al-5Mo-5V alloy

The relationship between microstructure and deformation and damage behaviour during dynamic compression in Ti-3Al-5Mo-5V alloy has been studied using several experimental techniques, including optical microscopy, scanning electron microscopy and microhardness measurements. It was found that the deformation behaviour during dynamic compression was closely related to deformation parameters. After dynamic deformation, the deformation shear band that formed in the titanium alloy had microhardness similar to that of the matrix. However, the microhardness of the white shear band was much higher than the matrix microhardness. The effects of deformation parameters, including deformation rate and deformation degree, on deformation localisation were investigated. Based on the results from the present work, the microstructure and deformation processing parameters can be optimised. In addition, treatment methods after dynamic compression were explored to restore alloy properties. Using post-deformation heat treatment, the microstructure and property inhomogeneity caused by shear bands could be largely removed.

Modelling Static and Dynamic FRP-Concrete Bond Behaviour Using a Local Concrete Damage Model

This paper presents a study on the bond behaviour of FRP-concrete bonded joints under static and dynamic loadings, by developing a meso-scale finite element model using the K&C concrete damage model in LS-DYNA. A significant number of single shear experiments under static pull-off loading were modelled with an extensive parametric study covering key factors in the K&C model, including the crack band width, the compressive fracture energy and the shear dilatation factor. It is demonstrated that the developed model can satisfactorily simulate the static debonding behaviour, in terms of mesh objectivity, the load-carrying capacity and the local bond-slip behaviour, provided that proper consideration is given to the selection of crack band width and shear dilatation factor. A preliminary study of the effect of the dynamic loading rate on the debonding behaviour was also conducted by considering a dynamic increase factor (DIF) for the concrete strength as a function of strain rate. It is shown that a higher loading rate leads to a higher load-carrying capacity, a longer effective bond length, and a larger damaged area of concrete in the single shear loading scenario.