Plateaus in water adsorption isotherms on hydroxylated BeO surfaces suggest significant differences between the hydroxylated (100) and (001) surface structures and reactivities. Density functional theory structures and energies clarify these differences. Using relaxed surface energies, a Wulff construction yields a prism crystal shape exposing long (100) sides and much smaller (001) faces. This...

A previously unknown thermodynamically stable high-pressure phase of BeF2 has been predicted using the evolutionary algorithm USPEX. This phase occurs in the pressure range 18-27 GPa. Its structure has C2/c space group symmetry and contains 18 atoms in the primitive unit cell. Given the analogy between BeF2 and SiO2, silica phases have been investigated as well, but the new phase has not been o...

Cladding or cladding used for nuclear fuel elements requires special requirements such as good mechanical properties, radiation resistance, corrosion adequate physical and chemical low thermal neutron absorption. Materials that are widely structural materials reactors beryllium, magnesium, aluminum, zirconium their alloys. Alloy 9Cr-316-1Mo Nuclear material. material has been made. The was chos...

Abstract Self-passivating, so-called smart alloys are under development for a future fusion power plant. These containing tungsten, chromium and yttrium must possess an acceptable plasma performance during regular operation of plant demonstrate the suppression non-desirable oxidation tungsten in case accident. The up-scaling bulk to reactor-relevant sizes has begun first samples with diameter 5...