Energy dissipation of nanoporous MFI zeolite under dynamic crushing

Baoxing XU, Ling LIU, Qulan ZHOU, Yu QIAO, Jun XU, Yibing LI, Mooho TAK, Taehyo PARK, Xi CHEN

Research output: Journal PublicationsJournal Article (refereed)peer-review

7 Citations (Scopus)


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.

Original languageEnglish
Pages (from-to)881-886
Number of pages6
JournalJournal of Computational and Theoretical Nanoscience
Issue number5
Publication statusPublished - May 2011
Externally publishedYes


  • Energy dissipation
  • Molecular dynamics simulation
  • Nanoporous material


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