Paper detail

Structure-Property Linkage in Shocked Multi-Material Flows Using A Level-Set Based Eulerian Image-To-Computation Framework

Morphology and dynamics at the meso-scale play crucial roles in the overall macro- or system-scale flow of heterogeneous materials. In a multi-scale framework, closure models upscale unresolved sub-grid (meso-scale) physics and therefore encapsulate structure-property (S-P) linkages to predict performance at the macro-scale. This work establishes a route to structure-property linkage, proceeding all the way from imaged micro-structures to flow computations in one unified level set-based framework. Level sets are used to: 1) Define embedded geometries via image segmentation; 2) Simulate the interaction of sharp immersed boundaries with the flow field, and 3) Calculate morphological metrics to quantify structure. Meso-scale dynamics are computed to calculate sub-grid properties, i.e. closure models for momentum and energy equations. The structure-property linkage is demonstrated for two types of multi-material flows: interaction of shocks with a cloud of particles and reactive meso-mechanics of pressed energetic materials. We also present an approach to connect local morphological characteristics in a microstructure containing topologically complex features with the shock response of imaged samples of such materials. This paves the way for using geometric machine learning techniques to associate imaged morphologies with their properties.