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