Energy dissipation of nanoporous MFI zeolite under dynamic crushing

Nanoporous materials are emerging as a potential candidate for high-performance energy dissipation. Understanding the mechanical response upon crushing is important for designing nanoporous material structures with maximum energy dissipation. Using molecular dynamics simulations, we investigate the crushing behaviors of a MFI zeolite upon different loading rates, compression directions, and with different sample thickness. The dissipation mechanism is expected to result from the non-uniform collapse of nanopores and the spread of the thus formed densification region through the structure. The results show that the loading along the tortuous nanopore path ([001]-orientation) may maximize the energy dissipation. Strong loading rate effect is observed which couples with orientation dependence, yet the effect of thickness is relatively minor.