Micromechanical finite element modeling of crystalline lipid-based materials: monoglyceride-based oleogels and their composites.

Abstract

The mechanical properties of crystalline lipid-based materials are dependent on the microscale structure formed during the crystallization process. In this work, we show for the first time that the mechanical properties of such materials can be mathematically calculated by performing 3D mechanistic modeling on the exact microstructure obtained by non-destructive imaging. Initially, we obtained a digital twin of a monoglyceride-based oleogel from phase-contrast X-ray tomography. The microstructure was found to be composed of an interconnected network of crystalline platelets. Then, we applied micromechanical finite element modeling on the microstructure, which revealed that the effective shear modulus scales with the local solid fraction and also depends on the precise crystalline arrangement. Lastly, we designed composite materials in a digital environment by adding particle inclusions to the digital twin. The particle material, concentration and size are varied to demonstrate their effect on the composite's mechanical properties. The designed materials reveal that particle inclusions can either decrease or greatly increase the shear modulus of lipid-based materials. Our new micromechanical approach accelerates the design of lipid-based materials by leveraging virtual environments, leading the path towards materials with tailored mechanical properties.