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Suzuki, Ai; Inaba, Kenji; Ishizawa, Yukie; Miura, Ryuji; Hatakeyama, Nozomu; Miyamoto, Akira; Saito, Jun-ichi; Ara, Kuniaki
Proceedings of the 23th international conference on nuclear engineering (ICONE-23)2015
Proceedings of the 23th international conference on nuclear engineering (ICONE-23)2015
AbstractAbstract
[en] 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. (author)
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Japan Society of Mechanical Engineers, Tokyo (Japan); [3737 p.]; May 2015; [7 p.]; ICONE-23: 23. international conference on nuclear engineering; Chiba (Japan); 17-21 May 2015; Available from Japan Society of Mechanical Engineers, Shinanomachi Rengakan 5F, 35 Shinanomachi, Shinjuku-ku, Tokyo 160-0016 Japan; Available as DVD-ROM Data in PDF format. Folder Name: FullPaper; Paper ID: ICONE23-1005.pdf; 15 refs., 5 figs., 4 tabs.
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