Abstract
By affecting the connectivity of atomic networks, composition, temperature, or pressure can induce topological transitions between the three atomic states of rigidity — flexible, isostatic, and stressed-rigid. However, no clear structural signature of such transitions has been elucidated thus far. Here, based on realistic molecular dynamics simulations of irradiation-induced damage in quartz, we report the first evidence of a rigid-to-flexible rigidity transition controlled by structural variations only. This topological transition is shown to arise from the simultaneous loss of atomic Eigenstress and onset of network flexibility, and features a well-defined structural signature in the medium-range order of the atomic network.
| Original language | English |
|---|---|
| Pages (from-to) | 25-30 |
| Number of pages | 6 |
| Journal | Journal of Non-Crystalline Solids |
| Volume | 463 |
| DOIs | |
| State | Published - May 1 2017 |
Funding
This research is being performed using funding received from the DOE Office of Nuclear Energy's Nuclear Energy University Programs. The authors also acknowledge financial support for this research provided by: The Oak Ridge National Laboratory operated for the U.S. Department of Energy by UT-Battelle (LDRD Award Number: 4000132990and 4000143356),National Science Foundation (CMMI: 1235269), and the University of California, Los Angeles (UCLA).
| Funders | Funder number |
|---|---|
| National Science Foundation | |
| U.S. Department of Energy | |
| Division of Civil, Mechanical and Manufacturing Innovation | 1235269 |
| Office of Nuclear Energy | |
| Oak Ridge National Laboratory | |
| Nuclear Energy University Program | |
| Laboratory Directed Research and Development | 4000132990and 4000143356 |
| University of California, Los Angeles | |
| UT-Battelle |
Keywords
- Molecular dynamics
- Radiation damage
- Rigidity transition
- Structural signature
- Topological constraints theory