AN EMPIRICAL MANY-BODY POTENTIAL-ENERGY FUNCTION CONSTRUCTED FROM PAIR-INTERACTIONS

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Atıf İçin Kopyala

ERKOC S.

ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS, cilt.32, sa.3, ss.257-260, 1994 (SCI-Expanded)

• Yayın Türü: Makale / Tam Makale
• Cilt numarası: 32 Sayı: 3
• Basım Tarihi: 1994
• Doi Numarası: 10.1007/bf01437156
• Dergi Adı: ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS
• Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
• Sayfa Sayıları: ss.257-260
• Orta Doğu Teknik Üniversitesi Adresli: Hayır

Özet

A new empirical potential energy function (PEF) is proposed, which is formed from pair-interactions only, and contains the many-body contributions; The PEF satisfies bulk cohesive energy and bulk stability condition. The PEF is parameterized for copper, silver, and gold elements in fee crystal structure. The elastic constants C-11 and C-12 and the bulk modulus of the elements are calculated, and the structural stability and energetics of microclusters containing 3 to 7 atoms of the same elements are investigated.