Reliability of Various Empirical Potential Methods | Zendy

Esterling D. M. | Zendy; Swaroop A. | Zendy

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Reliability of Various Empirical Potential Methods

Author(s) -

Esterling D. M.,

Swaroop A.

Publication year - 1980

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.2220970109

Subject(s) - pseudopotential , reliability (semiconductor) , benchmark (surveying) , statistical physics , vacancy defect , phonon , computer science , reliability engineering , physics , thermodynamics , engineering , condensed matter physics , geology , power (physics) , geodesy

The use of the Wedepohl potential or the use of the vacancy formation energy as auxiliary conditions for an empirical potential derived from phonon data are examined. A pair potential for aluminum, derived from a non‐local pseudopotential model, is used as a benchmark. These auxiliary conditions are found to be unreliable. Reasons for this are discussed within a more general framework.

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