10.21401/3A5B56A4
Ryan S. Elliott
Morse potential for Ba by Girifalco and Weizer (1959) using a medium-accuracy cutoff distance
OpenKIM
2018
Software
OpenKIM
Parameterized Model
MO_229241184339_002
OpenKIM
2018
MO_229241184339_002
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ba__MO_229241184339_002
https://openkim.org/cite/MO_229241184339_002
This is a Ba Morse Model Parameterization by Girifalco and Weizer (1959) using a medium-accuracy cutoff distance. The Morse parameters were calculated using experimental values for the energy of vaporization, the lattice constant, and the compressibility. The equation of state and the elastic constants which were computed using the Morse parameters, agreed with experiment for both face-centered and body-centered cubic metals. All stability conditions were also satisfied for both the face-centered and the body-centered metals. This shows that the Morse function can be applied validly to problems involving any type of deformation of the cubic metals.