Showing 1 - 1 of 1 UKAEA Paper Results
2005
Ralf Drautz Dewey A. Murdick Duc Nguyen-Manh Xiaowang Zhou Haydn N. G. Wadley David G. Pettifor
An analytic interatomic bond-order potential BOP is derived that depends explicitly on the group number of the sp -valent element. This is achieved by generalizing the previously published BOP for group-IV elements by extrapolating from half-full occupancy using a simple envelope function for the upper bound of the bond order. This interatomic pote…
Published