Computational determination of macroscopic mechanical and thermal material properties for different morphological variants of cast iron

The sensitivity of macroscopic mechanical and thermal properties of grey cast iron is computationally investigated for a variety of graphite morphologies over a wide temperature range. In order to represent common graphite morphologies according to EN ISO 945-1, a synthetic approach is used to algorithmically generate simulation domains. The developed mechanical and thermal model is applied in a large simulation study. The study includes statistical volume elements of the graphite morphology classes GJL-150 and IA2 to IA5, with 10, 11 and 12 v.−% of graphite precipitations, respectively, for a temperature range from 20 to 750 °C. Homogenised macroscopic quantities, such as the Young’s moduli, Poisson’s ratios, yield strengths and thermal conductivities, are predicted for different morphology classes by applying simulation and data analysis tools of the research data infrastructure Kadi4Mat. This is the first work to determine the mechanical and thermal properties of the morphology classes defined in EN ISO 945-

Phase-Field Model for the Simulation of Brittle-Anisotropic and Ductile Crack Propagation in Composite Materials

In this work, a small-strain phase-field model is presented, which is able to predict crack propagation in systems with anisotropic brittle and ductile constituents. To model the anisotropic brittle crack propagation, an anisotropic critical energy release rate is used. The brittle constituents behave linear-elastically in a transversely isotropic manner. Ductile crack growth is realised by a special crack degradation function, depending on the accumulated plastic strain, which is calculated by following the J2-plasticity theory. The mechanical jump conditions are applied in solid-solid phase transition regions. The influence of the relevant model parameters on a crack propagating through a planar brittle-ductile interface, and furthermore a crack developing in a domain with a single anisotropic brittle ellipsoid, embedded in a ductile matrix, is investigated. We demonstrate that important properties concerning the mechanical behaviour of grey cast iron, such as the favoured growth of cracks along the graphite lamellae and the tension–compression load asymmetry of the stress–strain response, are covered by the model. The behaviour is analysed on the basis of a simulation domain consisting of three differently oriented elliptical inclusions, embedded in a ductile matrix, which is subjected to tensile and compressive load. The material parameters used correspond to graphite lamellae and pearlite

Phase-inherent linear visco-elasticity model for infinitesimal deformations in the multiphase-field context

A linear visco-elasticity ansatz for the multiphase-field method is introduced in the form of a Maxwell-Wiechert model. The implementation follows the idea of solving the mechanical jump conditions in the diffuse interface regions, hence the continuous traction condition and Hadamard’s compatibility condition, respectively. This makes strains and stresses available in their phase-inherent form (e.g. $\varepsilon ^{\alpha }_{ij}$, $\varepsilon ^{\beta }_{ij}$), which conveniently allows to model material behaviour for each phase separately on the basis of these quantities. In the case of the Maxwell-Wiechert model this means the introduction of phase-inherent viscous strains. After giving details about the implementation, the results of the model presented are compared to a conventional Voigt/Taylor approach for the linear visco-elasticity model and both are evaluated against analytical and sharp-interface solutions in different simulation setups

Brittle anisotropic fracture propagation in quartz sandstone: insights from phase-field simulations

<jats:title>Abstract</jats:title><jats:p>We developed a generalized multiphase-field modeling framework for addressing the problem of brittle fracture propagation in quartz sandstones at microscopic length scale. Within this numerical approach, the grain boundaries and crack surfaces are modeled as diffuse interfaces. The two novel aspects of the model are the formulations of (I) anisotropic crack resistance in order to account for preferential cleavage planes within each randomly oriented quartz grain and (II) reduced interfacial crack resistance for incorporating lower fracture toughness along the grain boundaries that might result in intergranular crack propagation. The presented model is capable of simulating the competition between inter- and transgranular modes of fracturing based on the nature of grain boundaries, while exhibiting preferred fracturing directions within each grain. In the full parameter space, the model can serve as a powerful tool to investigate the complicated fracturing processes in heterogeneous polycrystalline rocks comprising of grains of distinct elastic properties, cleavage planes, and grain boundary attributes. We demonstrate the performance of the model through the representative numerical examples.</jats:p&gt

Multiphase-field modelling of crack propagation in geological materials and porous media with Drucker-Prager plasticity

A multiphase-field approach for elasto-plastic and anisotropic brittle crack propagation in geological systems consisting of different regions of brittle and ductile materials is presented and employed to computationally study crack propagation. Plastic deformation in elasto-plastic materials such as frictional, granular or porous materials is modelled with the pressure-sensitive Drucker-Prager plasticity model. This plasticity model is combined with a multiphase-field model fulfilling the mechanical jump conditions in diffuse solid-solid interfaces. The validity of the plasticity model with phase-inherent stress and strain fields is shown, in comparison with sharp interface finite element solutions. The proposed model is capable of simulating crack formation in heterogeneous multiphase systems comprising both purely elastic and inelastic phases. We investigate the influence of different material parameters on the crack propagation with tensile tests in single- and two-phase materials. To show the applicability of the model, crack propagation in a multiphase domain with brittle and elasto-plastic components is performed

Nickel-Zinc Batteries: Cell Level Modelling and Simulation

Nickel-zinc (NiZn) batteries are a promising candidate for sustainable energy storage. Such technology is necessary to upgrade the electricity grid to be able to successfully combine the increasing share of renewable energy sources with the growing demand for electric energy. Besides their competitive specific energy and power, NiZn batteries have the advantage to rely on abundant and low-cost resources, environmentally friendly and recyclable materials and non-flammable components. While these properties make NiZn cells in principle suitable for this task, the chemical and physical processes taking place are not yet fully understood, which is the basis to create a battery design with high cycle life. Important research topics, which influence cell perfor-mance and degradation, are zinc conversion at the anode, proton intercalation at the NiOOH/Ni(OH)2 cathode and gas formation consuming electrolyte, which leads to a dry-out of the cell. A physics-based 3D+1D model working on volume averages is implemented, which was de-rived from existing models. Using this thermodynamic framework, a NiZn cell is cycled to examine transport processes and electrochemical reactions. This allows for example to study the distribution of phases and chemical species in the battery cell