[17p-K308-1~12] 16.1 基礎物性・評価・プロセス・デバイス

14:15 〜 14:30英語発表

[17p-K308-4] Surface dynamics on Cobalt nanoparticles

〇(D)Marthe Bideault^1,2, Jerome Creuze², Arnaud Allera³, Ryoji Asahi⁴, Erich Wimmer¹ (1.Materials Design SARL, FR, 2.ICMMO/SP2M, Univ. Paris-Saclay, FR, 3.IRSN/PSN-RES/SEMIA/LSMA, FR, 4.Institute of Materials Innovation, Nagoya Univ., JAPAN)

キーワード：

nanoparticles、machine-learned potentials、melting analysis

We present the development of a machine-learned potential (MLP) for bulk, surfaces and nanoparticles of cobalt. This MLP is then used to simulate the heating of hexagonal close-packed and icosahedral cobalt nanoparticles ranging from 500 to 7000 atoms. Subsequently, we present a robust structural analysis of these trajectories using machine learning tools.