Higher-Order Continuum Theory Applied to Fracture Simulation of Nano-scale Intergranular Glassy Film

Yang Yang (1) , W.Y. Ching (2) , Anil Misra (3)

1 Faculty of Engineering [Wuham]
2 Department of Physics
3 CEAE - Department of Civil, Environmental and Architectural Engineering

Complex grain-boundary structures, such as the 1-2 nm thick intergranular glassy films (IGF), play a prominent role in the failure behavior of nano-phased ceramics. The IGF plays the role of an imperfection and serves as the location of strain localization and failure. We have recently performed “theoretical” mechanical loading experiments on very large atomic models of IGF in silicon nitride using ab initio simulation to obtain their failure behavior. The ab initio simulations yield characteristic post-peak softening accompanied by strain localization zone. In this paper a micro-structural granular mechanics based higher-order continuum theory is applied to model the failure behavior of these types of material systems. The results obtained from the ab initio simulations are compared with those predicted by the higher order continuum theory.

Mots clés: Higher-order theory; granular mechanics; ab initio; atomic models; strain softening; element-free Galerkin

Domaines: Génie mécanique [physics.class-ph]; Génie mécanique [physics.class-ph]

Yang Yang, W.Y. Ching, Anil Misra. Higher-Order Continuum Theory Applied to Fracture Simulation of Nano-scale Intergranular Glassy Film. 2011. ⟨hal-00556184⟩