Quantum chemical evaluation for the stability of liquid sodium containing titanium nanoparticles

Ai Suzuki, Kenji Inaba, Yukie Ishizawa, Ryuji Miura, Nozomu Hatakeyama, Akira Miyamoto, Jun Ichi Saito, Kuniaki Ara

Research output: Contribution to conferencePaperpeer-review

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 languageEnglish
Publication statusPublished - 2015 Jan 1
Event23rd International Conference on Nuclear Engineering: Nuclear Power - Reliable Global Energy, ICONE 2015 - Chiba, Japan
Duration: 2015 May 172015 May 21

Other

Other23rd International Conference on Nuclear Engineering: Nuclear Power - Reliable Global Energy, ICONE 2015
Country/TerritoryJapan
CityChiba
Period15/5/1715/5/21

Keywords

  • Liquid metals
  • Nanofluid
  • Nanoparticle
  • Quantum chemistry
  • Sodium

ASJC Scopus subject areas

  • Nuclear Energy and Engineering

Fingerprint

Dive into the research topics of 'Quantum chemical evaluation for the stability of liquid sodium containing titanium nanoparticles'. Together they form a unique fingerprint.

Cite this