Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
4964031 | Computer Methods in Applied Mechanics and Engineering | 2016 | 13 Pages |
Abstract
In this work, a novel comparative method for highly brittle materials such as aragonite crystals is proposed, which provides an efficient and accurate in-sight understanding for multi-scale fracture modeling. In particular, physically-motivated molecular dynamics (MD) simulations are performed to model quasi-static brittle crack propagation on the nano-scale and followingly compared to macroscopic modeling of fracture using the phase-field modeling (PFM) technique. A link between the two modeling schemes is later proposed by deriving PFM parameters from the MD atomistic simulations. Thus, in this combined approach, MD simulations provide a more realistic meaning and physical estimation of the PFM parameters. The proposed computational approach, that encompasses mechanics on discrete and continuum levels, can assist multi-scale modeling and easing, for instance, the simulation of biological materials and the design of new materials.
Related Topics
Physical Sciences and Engineering
Computer Science
Computer Science Applications
Authors
Sandeep P. Patil, Yousef Heider, Carlos Alberto Hernandez Padilla, Eduardo R. Cruz-ChĂș, Bernd Markert,