10.25950/B5745957
Ryan S. Elliott
Morse potential (shifted) for Ca by Girifalco and Weizer (1959) using a medium-accuracy cutoff distance v002
OpenKIM
2018
Software
OpenKIM
Model
MO_562200212426_002
Ryan S. Elliott
OpenKIM
2018
MO_562200212426_002
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ca__MO_562200212426_002
https://openkim.org/cite/MO_562200212426_002
This is a Ca 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.