Showing 1 - 1 of 1 UKAEA Paper Results
2007
M. Mrovec R. Gröger A. G. Bailey D. Nguyen-Manh C. Elsässer V. Vitek
We present a bond-order potential BOP for the bcc transition metal tungsten. The bond-order potentials are a real-space semiempirical scheme for the description of interatomic interactions based on the tight-binding approximation. In the hierarchy of atomic-scale-modeling methods the BOPs thus provide a direct bridge between electronic-structure an…
Published