[2G10-17] Sodium with suspended nanoparticles

[2G11] Study on safety enhancement of the fast reactor by using nanoparticle suspension sodium

(27)Theoretical study (9)

*Nozomu Hatakeyama¹, Ryuji Miura¹, Ai Suzuki¹, Akira Miyamoto¹, Junichi Saito², Kuniaki Ara² (1. Tohoku Univ., 2. JAEA)

Keywords:Experiment-integrated multiscale computational chemistry, Ulra-accelerated quantum chemical molecular dynamics method, Artificial intelligence

In order to elucidate theoretically a reaction suppression mechanism of the nanofluids which made by dispersing metal nanoparticles in liquid sodium, experiment-integrated multiscale multiphysics computational chemistry simulators were developed and applied to the nanofluids. The pool oxidation burning simulator reprodueced well a self ending phenomenon of the nanofluids and the falling droplet burning simulator represented suppression of the temperature rise for the nanofluids, based on the cohesion energy of the nanofluids calculated by an artificial intelligence-integrated ultra-accelerated quantum chemical molecular dynamics method.