Energy Dissipation of Nanoporous MFI Zeolite Under Dynamic Crushing
- Authors
- Xu, Baoxing; Liu, Ling; Zhou, Qulan; Qiao, Yu; Xu, Jun; Li, Yibing; Tak, Mooho; Park, Taehyo; Chen, Xi
- Issue Date
- May-2011
- Publisher
- AMER SCIENTIFIC PUBLISHERS
- Keywords
- Energy Dissipation; Nanoporous Material; Molecular Dynamics Simulation
- Citation
- JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, v.8, no.5, pp.881 - 886
- Indexed
- SCIE
SCOPUS
- Journal Title
- JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE
- Volume
- 8
- Number
- 5
- Start Page
- 881
- End Page
- 886
- URI
- https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/168522
- DOI
- 10.1166/jctn.2011.1768
- ISSN
- 1546-1955
- Abstract
- 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.
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