A crystal plasticity study of cyclic constitutive behaviour, crack-tip deformation and crack-growth path for a polycrystalline nickel-based superalloy

Crystalplasticity has been applied to model the cyclicconstitutive behaviour of a polycrystalline nickel-based superalloy at elevated temperature using finite element analyses. A representative volume element, consisting of randomly oriented grains, was considered for the finite element analyses under periodic boundary constraints. Strain-controlled cyclic test data at 650 °C were used to determine the model parameters from a fitting process, where three loading rates were considered. Model simulations are in good agreement with the experimental results for stress–strain loops, cyclic hardening behaviour and stress relaxation behaviour. Stress and strain distributions within the representative volume element are of heterogeneous nature due to the orientation mismatch between neighbouring grains. Stress concentrations tend to occur within “hard” grains while strain concentrations tend to locate within “soft” grains, depending on the orientation of grains with respect to the loading direction. The model was further applied to study the near-tip deformation of a transgranular crack in a compact tension specimen using a submodelling technique. Grain microstructure is shown to have an influence on the von Mises stress distribution near the crack tip, and the gain texture heterogeneity disturbs the well-known butterfly shape obtained from the viscoplasticity analysis at continuum level. The stress–strain response near the crack tip, as well as the accumulated shear deformation along slip system, is influenced by the orientation of the grain at the crack tip, which might dictate the subsequent crack growth through grains. Individual slip systems near the crack tip tend to have different amounts of accumulated shear deformation, which was utilised as a criterion to predict the crack growth path

Crystal plasticity modelling of cyclic deformation for a polycrystalline nickel based superalloy at high temperature

Cyclic deformation at elevated temperature has been modeled for a polycrystalline nickel-based superalloy using the crystal-plasticity constitutive formulations. Finite element analyses were carried out for a representative volume element (RVE), consisting of randomly oriented grains and subjected to periodic boundary constraints. Model parameters were determined by fitting the strain-controlled cyclic test data at 650 °C for three different loading rates. Simulated results are in good agreement with the experimental data for both stress–strain loops and cyclic hardening behavior. The model was utilized to predict the stress relaxation behavior during the hold periods at the maximum and minimum strain levels, and the prediction compares well with the experimental results. Localized stress and strain concentrations were observed due to the heterogeneous nature of grain microstructure and the mismatch of the mechanical properties of individual grains

3D DDD modelling of dislocation-precipitate interaction in a nickel-based single crystal superalloy under cyclic deformation

Strain-controlled cyclic deformation of a nickel-based single crystal superalloy has been modelled by using three-dimensional (3D) discrete dislocation dynamics (DDD) for both [001] and [111] orientations. The work focused on the interaction between dislocations and precipitates during cyclic plastic deformation at elevated temperature, which has not been well studied yet. A representative volume element (RVE) with cubic γ’-precipitates was chosen to represent the material, with enforced periodical boundary conditions. In particular, cutting of superdislocations into precipitates was simulated by a back-force method. The global cyclic stress-strain responses were captured well by the DDD model when compared to experimental data, particularly the effects of crystallographic orientation. Dislocation evolution showed that considerably high density of dislocations was produced for [111] orientation when compared to [001] orientation. Cutting of dislocations into the precipitates had a significant effect on the plastic deformation, leading to material softening. Contour plots of in-plane shear strain proved the development of heterogeneous strain field, resulting in the formation of shear-band embryos

Electric Field Effect on Phospholipid Monolayers at an Aqueous-Organic Liquid-Liquid Interface

The electric potential difference across cell membranes, known as the membrane potential, plays an important role in the activation of many biological processes. To investigate the effect of the membrane potential on the molecular ordering of lipids within a biomimetic membrane, a self-assembled monolayer of 1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine (SOPC) lipids at an electrified 1,2-dichloroethane/water interface is studied with X-ray reflectivity and interfacial tension. Measurements over a range of electric potential differences, -150 mV to +130 mV, that encompass the range of typical bio-membrane potentials demonstrate a nearly constant and stable structure whose lipid interfacial density is comparable to that found in other biomimetic membrane systems. Measurements at higher positive potentials, up to 330 mV, illustrate a monotonic decrease in the lipid interfacial density and accompanying variations in the interfacial configuration of the lipid. Molecular dynamics simulations, designed to mimic the experimental conditions, show that the measured changes in lipid configuration are due primarily to the variation in area per lipid with increasing applied electric field. Rotation of the SOPC dipole moment by the torque from the applied electric field appears to be negligible, except at the highest measured potentials. The simulations confirm in atomistic detail the measured potential-dependent characteristics of SOPC monolayers. Our hybrid study sheds light on phospholipid monolayer stability under different membrane potentials, which is important for understanding membrane processes. This study also illustrates the use of X-ray surface scattering to probe the ordering of surfactant monolayers at an electrified aqueous-organic liquid-liquid interface