title: A Be-W interatomic potential.
abstract: In this work, an interatomic potential for the beryllium-tungsten system is derived. It is the final piece of a potential puzzle, now containing all possible interactions between the fusion reactor materials beryllium, tungsten and carbon as well as the plasma hydrogen isotopes. The potential is suitable for plasma-wall interaction simulations and can describe the intermetallic Be(2)W and Be(12)W phases. The interaction energy between a Be surface and a W atom, and vice versa, agrees qualitatively with ab initio calculations. The potential can also reasonably describe Be(x)W(y) molecules with x, y = 1, 2, 3, 4.
authors.affiliation: EURATOM/Tekes, Department of Physics, University of Helsinki, PO Box 43, FI-00014, Finland. carolina.bjorkas@helsinki.fi
authors.forename: C
authors.initials: C
authors.lastname: Björkas
authors.forename: K O E
authors.initials: KO
authors.lastname: Henriksson
authors.forename: M
authors.initials: M
authors.lastname: Probst
authors.forename: K
authors.initials: K
authors.lastname: Nordlund