Micromechanics of creep fracture: simulation of intergranular crack growth

A computational model is presented to analyze intergranular creep crack growth in a polycrystalline aggregate in a discrete manner and based directly on the underlying physical micromechanisms. A crack tip process zone is used in which grains and their grain boundaries are represented discretely, while the surrounding undamaged material is described as a continuum. The constitutive description of the grain boundaries accounts for the relevant physical mechanisms, i.e. viscous grain boundary sliding, the nucleation and growth of grain boundary cavities, and microcracking by the coalescence of cavities. Discrete propagation of the main crack occurs by linking up of neighbouring facet microcracks. Assuming small-scale damage conditions, the model is used to simulate the initial stages of crack growth under C* controlled, model I loading conditions. Initially sharp or blunted cracks are considered. The emphasis in this study is on the effect of the grain microstructure on crack growth.

Numerical simulation of grain-size effects on creep crack growth by means of grain elements

The effect of grain size on creep crack growth is investigated by means of a numerical technique in which the actual crack growth process is simulated in a discrete manner by grain elements and grain boundary elements. The grain elements account for the creep deformation of individual grains, while grain boundary cavitation and sliding are accounted for by grain boundary elements between the grains. This grain-element technique allows for an independent study of multiple grain size effects: a (direct) size effect related to the specimen size/grain size ratio or an (indirect) effect related to the effect of grain size on nucleation rate and creep resistance. Preliminary numerical results are presented concerning the direct effect of grain size, which predict that the crack growth rate and brittleness increase with grain size.

Study of size effects in thin films by means of a crystal plasticity theory based on DiFT

In a recent publication, we derived the mesoscale continuum theory of plasticity for multiple-slip systems of parallel edge dislocations, motivated by the statistical-based nonlocal continuum crystal plasticity theory for single-glide due to Yefimov et al. (2004b). In this dislocation field theory (DiFT) the transport equations for both the total dislocation densities and geometrically necessary dislocation densities on each slip system were obtained from the Peach-Koehler interactions through both single and pair dislocation correlations. The effect of pair correlation interactions manifested itself in the form of a back stress in addition to the external shear and the self-consistent internal stress. We here present the study of size effects in single crystalline thin films with symmetric double slip using the novel continuum theory. Two boundary value problems are analyzed: (1) stress relaxation in thin films on substrates subject to thermal loading, and (2) simple shear in constrained films. In these problems, earlier discrete dislocation simulations had shown that size effects are born out of layers of dislocations developing near constrained interfaces. These boundary layers depend on slip orientations and applied loading but are insensitive to the film thickness. We investigate stress response to changes in controlled parameters in both problems. Comparisons with previous discrete dislocation simulations are discussed.Comment: 20 pages, 11 figure

A fatigue crack initiation model incorporating discrete dislocation plasticity and surface roughness

Although a thorough understanding of fatigue crack initiation is lacking, experiments have shown that the evolution of distinct dislocation distributions and surface roughness are key ingredients. In the present study we introduce a computational framework that ties together dislocation dynamics, the fields due to crystallographic surface steps and cohesive surfaces to model near-atomic separation leading to fracture. Cyclic tension–compression simulations are carried out where a single plastically deforming grain at a free surface is surrounded by elastic material. While initially, the cycle-by-cycle maximum cohesive opening increases slowly, the growth rate at some instant increases rapidly, leading to fatigue crack initiation at the free surface and subsequent growth into the crystal. This study also sheds light on random local microstructural events which lead to premature fatigue crack initiation

Microstructural modelling of creep crack growth from a blunted crack

The effect of crack tip blunting on the initial stages of creep crack growth is investigated by means of a planar microstructural model in which grains are represented discretely. The actual linking-up process of discrete microcracks with the macroscopic crack is simulated, with full account of the underlying physical mechanisms such as the nucleation, growth and coalescence of grain boundary cavities accompanied by grain boundary sliding. Results are presented for C*-controlled mode I crack growth under small-scale damage conditions. Particular attention is focused on creep constrained vs. unconstrained growth. Also the effect of grain boundary shear stresses on linking-up is investigated through shear-modified nucleation and growth models. The computations show a general trend that while an initially sharp crack tends to propagate away from the original crack plane, crack tip blunting reduces the crack growth direction. Under unconstrained conditions this can be partly rationalized by the strain rate and facet stress distribution corresponding to steady-state creep.

Density Functional Theory of a Curved Liquid-Vapour Interface: Evaluation of the rigidity constants

It is argued that to arrive at a quantitative description of the surface tension of a liquid drop as a function of its inverse radius, it is necessary to include the bending rigidity k and Gaussian rigidity k_bar in its description. New formulas for k and k_bar in the context of density functional theory with a non-local, integral expression for the interaction between molecules are presented. These expressions are used to investigate the influence of the choice of Gibbs dividing surface and it is shown that for a one-component system, the equimolar surface has a special status in the sense that both k and k_bar are then the least sensitive to a change in the location of the dividing surface. Furthermore, the equimolar value for k corresponds to its maximum value and the equimolar value for k_bar corresponds to its minimum value. An explicit evaluation using a short-ranged interaction potential between molecules, shows that k is negative with a value around minus 0.5-1.0 kT and that k_bar is positive with a value which is a bit more than half the magnitude of k. Finally, for dispersion forces between molecules, we show that a term proportional to log(R)/R^2 replaces the rigidity constants and we determine the (universal) proportionality constants.Comment: 28 pages; 5 figures; accepted for publication in J. Phys.: Condens. Matter (2013

Plasticity size effects in tension and compression of single crystals

The effect of size and loading conditions on the tension and compression stress–strain response of micron-sized planar crystals is investigated using discrete dislocation plasticity. The crystals are taken to have a single active slip system and both small-strain and finite-strain analyses are carried out. When rotation of the tensile axis is constrained, the build-up of geometrically necessary dislocations results in a weak size dependence but a strong Bauschinger effect. On the other hand, when rotation of the tensile axis is unconstrained, there is a strong size dependence, with the flow strength increasing with decreasing specimen size, and a negligible Bauschinger effect. Below a certain specimen size, the flow strength of the crystals is set by the nucleation strength of the initially present Frank–Read sources. The main features of the size dependence are the same for the small-strain and finite-strain analyses. However, the predicted hardening rates differ and the finite-strain analyses give rise to some tension–compression asymmetry.

Discrete dislocation simulations and size dependent hardening in single slip

Plastic deformation in two-dimensional monophase and composite materials is studied using a discrete dislocation dynamics method. In this method, dislocations are represented by line defects in a linear elastic medium, and their interactions with boundaries or second-phase elastic particles are incorporated through a complementary finite element solution. The formulation includes a set of simple constitutive rules to model the lattice resistance to dislocation glide, as well as the generation, annihilation and pinning of dislocations at point obstacles. The focus is on the predicted strain hardening of these materials when only a single slip system is active. When the particle morphology is such as to require geometrically necessary dislocations, hardening in the composite materials exhibits a distinct size effect. This size effect is weaker than that predicted by simple analytical estimates based on geometrically necessary dislocations.

Analysis of temperature effects near mode I cracks in glassy polymers

A previous isothermal study has shown that the toughness of glassy polymers is governed by the competition between shear yielding and crazing. The present work aims at investigating loading rates for which thermal effects need to be accounted for. The influence of the heat coming from the viscoplastic shear yielding and from crazing on their competition and on the toughness is examined. Crazing is shown to be the dominant heat source, and the dependence of the craze properties on temperature appears to be key in controlling the toughness of the material.