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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.