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Structural Stability and Energetics of F.C.C. Metal Microclusters. Empirical Many‐Body Potential Energy Function Calculation
Author(s) -
Erkoç Ş.
Publication year - 1990
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221610120
Subject(s) - energetics , stability (learning theory) , metal , structural stability , potential energy , function (biology) , materials science , chemical physics , energy (signal processing) , computational chemistry , thermodynamics , chemistry , atomic physics , physics , metallurgy , structural engineering , quantum mechanics , computer science , engineering , machine learning , evolutionary biology , biology
The structural stability and energetics of microclusters containing 3 to 7 atoms of f.c.c. metal elements are investigated. A recently developed empirical many‐body potential function (PEF) is used in the calculations, which comprises two‐ and threebody atomic interactions. The PEF satisfies both, bulk cohesive energy and stability condition. It is found that the energetically most stable structures of microclusters are in compact form.