Voronoi Polyhedron Investigation of the Short-Range Order in Liquid Bismuth Using Molecular Dynamics Simulation Data

Liquid bismuth is an actual object for research due to the specific features experimentally detected on the temperature dependences of a number of properties, the nature of which is still debatable. Earlier, we used ab initio molecular dynamics simulation to calculate the temperature dependences of...

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Veröffentlicht in:	Russian metallurgy Metally 2021-08, Vol.2021 (8), p.987-991
Hauptverfasser:	Gelchinskii, B. R., Yuryev, A. A., Zhilina, E. M., Beltyukova, K. V.
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic properties Atomic structure Bismuth Chemistry and Materials Science Materials Science Mathematical analysis Melting points Metallic Materials Molecular dynamics Overheating Polyhedra Short range order Simulation
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