We propose a new phase-field damage formulation which takes into account anisotropic damage evolution in solids. Such anisotropy projects itself in fracture energy values which depend on the direction of the crack surface. Therefore, instead of one constant scalar parameter for the fracture energy value, we use a direction-dependent fracture energy function. By incorporating a direction-dependent fracture energy function, only a single damage variable as well as a first order damage gradient need to be used within the standard phase-field damage model. This is in contrast to other available anisotropic phase-field models which typically use multiple variables or higher order gradient terms. To obtain values for the fracture energy function, atomistic calculations are performed. Here, molecular static simulations are utilized to calculate the energy of free surfaces within an Aluminum crystal. As a result, we report the fracture energy value as a function of the surface orientation. The obtained fracture energy function is passed directly to the phase-field damage formulation to investigate transgranular fracture within a single crystalline. Moreover, the grain boundary is represented via a cohesive zone model to take into account intergranular fracture in a bi-crystalline structure. The predicted crack path is in good agreement with obtained results from molecular dynamics simulations. Finally, by calibrating the length scale parameter in the phase-field damage model, it is possible to compare the reaction forces from finite element calculations with atomistic ones.

Direction-dependent fracture in solids: Atomistically calibrated phase-field and cohesive zone model

Abstract Yttria-stabilized zirconia (YSZ) coatings and Al 2 O 3 -YSZ coatings were prepared by atmospheric plasma spraying (APS). Their microstructural changes during thermal cycling were investigated via scanning electron microscopy (SEM) equipped with electron backscatter diffraction (EBSD) and X-ray diffraction (XRD). It was found that the microstructure and microstructure changes of the two coatings were different, including crystallinity, grain orientation, phase, and phase transition. These differences are closely related to the thermal cycle life of the coatings. There is a relationship between crystallinity and crack size. Changes in grain orientation are related to microscopic strain and cracks. Phase transition is the direct cause of coating failure. In this study, the relationship between the changes in the coating microstructure and the thermal cycle life is discussed in detail. The failure mechanism of the coating was comprehensively analyzed from a microscopic perspective. 

Investigation of microstructure changes in Al2O3-YSZ coatings and YSZ coatings and their effect on thermal cycle life

Ultra-precision diamond cutting is a promising machining technique for realizing ultra-smooth surface of different kinds of materials. While fundamental understanding of the impact of workpiece material properties on cutting mechanisms is crucial for promoting the capability of the machining technique, numerical simulation methods at different length and time scales act as important supplements to experimental investigations. In this work, we present a compact review on recent advancements in the numerical simulations of material-oriented diamond cutting, in which representative machining phenomena are systematically summarized and discussed by multiscale simulations such as molecular dynamics simulation and finite element simulation: the anisotropy cutting behavior of polycrystalline material, the thermo-mechanical coupling tool-chip friction states, the synergetic cutting responses of individual phase in composite materials, and the impact of various external energetic fields on cutting processes. In particular, the novel physics-based numerical models, which involve the high precision constitutive law associated with heterogeneous deformation behavior, the thermo-mechanical coupling algorithm associated with tool-chip friction, the configurations of individual phases in line with real microstructural characteristics of composite materials, and the integration of external energetic fields into cutting models, are highlighted. Finally, insights into the future development of advanced numerical simulation techniques for diamond cutting of advanced structured materials are also provided. The aspects reported in this review present guidelines for the numerical simulations of ultra-precision mechanical machining responses for a variety of materials.

https://iopscience.iop.org/article/10.1088/2631-7990/acbb42/pdf

Numerical simulation of materials-oriented ultra-precision diamond cutting: review and outlook

Insights on low cycle fatigue crack formation and propagation mechanism: a microstructurally-sensitive modeling

Triaxial tension-induced damage behavior of nanocrystalline NiTi alloy and its dependence on grain size

Cohesive zone modeling for crack propagation in polycrystalline NiTi alloys using molecular dynamics

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Cohesive zone modeling for crack propagation in polycrystalline NiTi alloys using molecular dynamics