Metals and Metal Oxides - Application Notes

• Structural Properties & Surface Area of Clay Minerals

• Stability of Alkaline-Earth Hydrides

• Diffusion of Hydrogen in Nickel

• Embedded Atom Method (EAM) Simulations with MedeA

• Elastic coefficients and moduli for silicon carbide, corundum, and ferric tourmaline

• Adsorption and Dissociation of Iodine Molecules on a Zr Surface

• Surface Magnetism of Fe(001)

• Accurate Band Gaps of Correlated Transition-Metal Oxides from Hybrid-Functional Calculations

• Structure of an iron oxide (Fe2O3) surface as function of temperature and O2 pressure

• The α-β-phase-transition of Ti investigated using a machine-learned potential

• Stress-Strain Behavior of a Cu Nanowire

• Adaptive Crystal Structures of Au-Cu Alloy