Abstract
Recently, liquid sodium containing titanium nanoparticles (LSnanop) have attracted considerable attention. In this study, suspension state of Ti nanoparticle in liquid sodium was quantum chemically evaluated. The atomic interaction between Ti nanoparticles and sodium atoms in the liquid sodium medium was investigated. There were some literatures which gained quantum chemical insight into a nanoparticle with the surrounding sodium atom. However, liquid sodium medium itself together with a Ti nanoparticle under the realistic temperature has not yet been investigated theoretically. To overcome the problem of conventional theoretical method, we applied computationally low-load Tight Binding Quantum Chemical Molecular Dynamics (TB-QCMD) calculation method to investigate the suspension state of the Ti nanoparticle in liquid sodium metal.
| Original language | English |
|---|---|
| Publication status | Published - 2015 Jan 1 |
| Event | 23rd International Conference on Nuclear Engineering: Nuclear Power - Reliable Global Energy, ICONE 2015 - Chiba, Japan Duration: 2015 May 17 → 2015 May 21 |
Other
| Other | 23rd International Conference on Nuclear Engineering: Nuclear Power - Reliable Global Energy, ICONE 2015 |
|---|---|
| Country/Territory | Japan |
| City | Chiba |
| Period | 15/5/17 → 15/5/21 |
Keywords
- Liquid metals
- Nanofluid
- Nanoparticle
- Quantum chemistry
- Sodium
ASJC Scopus subject areas
- Nuclear Energy and Engineering