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

TL;DR

This paper introduces a unified level-set framework that links micro-structure imaging to flow simulations, enabling better prediction of multi-material flow behaviors and properties at the macro-scale.

Contribution

It develops a novel level-set based method to connect micro-structure images with flow computations, advancing structure-property linkage in multi-material flow modeling.

Findings

Successfully simulated shock interactions with particle clouds.

Demonstrated structure-property linkage for energetic materials.

Connected morphological features with shock response.

Abstract

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.