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.
| Original language | English |
|---|---|
| Pages (from-to) | 881-886 |
| Number of pages | 6 |
| Journal | Journal of Computational and Theoretical Nanoscience |
| Volume | 8 |
| Issue number | 5 |
| DOIs | |
| Publication status | Published - May 2011 |
| Externally published | Yes |
Funding
The work is supported by National Natural Science Foundation of China (50928601), Changjiang Scholar Program from Ministry of Education of China, WCU (World Class University) program through the National Research Foundation of Korea (R32-2008-000-20042-0), International cooperation project of Tsinghua University (20091081236), and National Science Foundation (CMMI-0643726).
Keywords
- Energy dissipation
- Molecular dynamics simulation
- Nanoporous material