|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Computational Design and Simulation of Materials (CDSM 2018): Meso/Macroscale Simulations
||Scale-parity Preserving Multiscale Models for Investigating the Mechanical Properties of Geopolymers
||Mohammad Sadat, Sourav Gur, Krishna Muralidharan, George Frantziskonis, Lianyang Zhang
|On-Site Speaker (Planned)
Using multiscale modeling methods that couple molecular dynamics (MD) and peridynamics (PD) in conjunction with linear elastic theory and strain gradient plasticity theory, the structure and mechanical properties of sodium aluminosilicate geopolymers were examined. A salient feature of the adopted multiscale models was the preservation of scale-parity, as and when information from the atomic-scales were upscaled to the meso- and macro-scales. This was achieved by suitably parameterizing PD inputs from MD, such that the mechanical response of geopolymers at scales accessible to MD were reproduced by PD. The robustness of the coupling schemes was demonstrated by the ability of PD simulations to accurately match experimental measurements of hardness and elastic moduli at meso- and macro-scales. Equally importantly, using the developed multiscale scheme, properties such as hardness, moduli and toughness can be predicted at all scales ranging from the nano- to meso- to the macro-scale.
||Planned: Supplemental Proceedings volume