Premium
Elastic Constants and Phonon Dispersion of Amorphous Copper with Embedded‐Atom Force
Author(s) -
Xie Qian,
Huang Meichun
Publication year - 1994
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.2221860206
Subject(s) - phonon , amorphous solid , dispersion (optics) , atom (system on chip) , crystal (programming language) , force constant , copper , condensed matter physics , function (biology) , materials science , distribution function , physics , quantum mechanics , chemistry , crystallography , molecule , computer science , metallurgy , evolutionary biology , embedded system , programming language , biology
Elastic constants and phonon dispersion of amorphous copper are studied by assuming that the interatomic potential is transferable from the crystalline state and can be represented by the analytical model of the embedded‐atom method given by Johnson. To test its effectiveness, the force model used to calculate the phonon eigenfrequencies in the copper crystal and the result is in perfect agreement with experimental values measured at 80 K. Based on the embedded‐atom method and in connection with the radial distribution function, the formulae for calculating the elastic constants of the amorphous phase and the modified Takeno‐Goda formula for studying phonon dispersion in amorphous materials are presented. For an easy implementation, the formulae are simplified by using the Bhatia‐Singh approximation, in which only the nearest‐neighbour contribution is considered.