New Paper in International Journal of Engineering Science
We are pleased to announce the publication of our manuscript “Approaching and overcoming the limitations of the multiscale Capriccio method for simulating the mechanical behavior of amorphous materials” in the International Journal of Engineering Science.
https://doi.org/10.1016/j.ijengsci.2025.104317
The article systematically investigates limitations and possible enhancements of the Capriccio method in simulating amorphous materials through strain consistency analysis between the coupled domains, focusing on solid amorphous materials. Using a linear elastic 1D setup that incorporates key features of the coupling method, it was found that decreasing the typically high anchor point (AP) stiffness reduces motion resistance in the coupling region, thereby improving strain consistency. The findings indicate that reducing AP stiffness can significantly diminish motion resistance up to an optimal threshold, leading to improved strain consistency between the coupled domains while maintaining sufficient domain adherence. Although these measures prove effective in a 3D Capriccio-coupled silica model, investigation of coupling a viscoelastic-viscoplastic polystyrene model suggests that they might not suffice for inelastic models, where strain inconsistencies become more pronounced. To address this issue, a novel coupling approach was introduced, which adjusts AP stiffness variably between the FE and MD calculations, showing potential to mitigate key limitations, though with some risk of oscillatory strain amplifications in the coupled domains. These results lay the groundwork for further evaluations and methodological extensions, aiming to enhance the applicability of the Capriccio method in studying inelastic amorphous materials and fracture phenomena.