| Cite this article as: Xu Bo,Chen Ji-Xiang,Wang Tian-Yu,Li Rui-Yuan,Zhang Xue-Ting. The Application of Cohesive Energy Density Method in the Double Cluster Model [J]. J. At. Mol. Phys.(原子与分子物理学报), 2026, 43: 052003 (in Chinese) |
| The Application of Cohesive Energy Density Method in the Double Cluster Model |
| Hits 239 Download times 3 Received:April 23, 2025 Revised:May 08, 2025 |
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| DOI
10.19855/j.1000-0364.2026.052003 |
| Key Words
Cluster model Radial distribution function Cohesive energy The law of leverage The octagonal Law |
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| Abstract
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| The structural characteristics of clusters have a significant impact on material properties, particularly in the fields of catalysis, photoelectric conversion, and biomedicine. The study of amorphous clusters should begin with alloy phases, focusing on the calculation and analysis of the radial distribution functions for different occupying atoms within these alloy phases. By employing cohesive energy density methods to assess the stability of various cluster structures, representative primary clusters can be selected. This selection process is complemented by considering valence electron counts and leveraging laws to construct binary dual-cluster systems in Pt (Sb, Sn, Zr) materials.This approach explores the feasibility of selecting structurally stable clusters. Research indicates that radial distribution functions centered around different atoms can elucidate that cluster selection must adhere to first-neighbor interactions and triangular close-packing principles.By utilizing a method that considers the ratio between energy and spatial volume among clusters with varying spatial configurations, stable structures can be identified. Building upon this foundation, we apply the dual-cluster model to analyze their compositions, thereby providing new insights and methodologies for research into metallic glasses. |
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