TITLE:
Simulating the Dynamics of Bimetallic Clusters Deposited onto a Surface Using Molecular Dynamics
AUTHORS:
Akbarali Rasulov, Nodirbek Ibrokhimov, Jaxongir Khodjimatov, Azamatjon Tukhtasinov
KEYWORDS:
Cluster, Slowing Down, Low-Energy, Molecular Dynamics, Metrоpоlis Mоnte Cаrlо, Bi-Metallic
JOURNAL NAME:
Journal of Applied Mathematics and Physics,
Vol.12 No.8,
August
16,
2024
ABSTRACT: This paper examines the interface development between a single crystalline Ag matrix and core-shell AgnCom nanoclusters that have been deposited with energies varying between 0.25 eV and 1.5 eV per atom using computer modeling techniques. Clusters undergo deformation as a result of the slowing down; they may also become epitaxial with the substrate and maintain their core-shell structure. A detailed analysis of the effects of the cluster-surface interaction is conducted over a realistic size and energy range, and a model is created to show how clusters accumulate. It is discovered that both the silver shells and the cobalt cluster cores exhibit limited epitaxy with the substrate, and that the contact produced is only a few atomic layers thick. The effect is higher for Ag shells than for Co cores, and it is not very energy dependent.