Inverse Identification of Single-Crystal Plasticity Parameters of HCP Zinc from Nanoindentation Curves and Residual Topographies.

This paper investigates the orientation-dependent characteristics of pure zinc under localized loading using nanoindentation experiments and crystal plasticity finite element (CPFEM) simulations. Nanoindentation experiments on different grain orientations exhibited distinct load-depth responses. Atomic force microscopy revealed two-fold unsymmetrical material pile-up patterns.

A computational study of thiol-containing cysteine amino acid binding to Au and Au gold clusters.

Density functional theory (DFT) calculations are employed to examine the adsorption behaviors of cysteine on the gold surface using Au and Au species as model reactants. Computed results show that cysteine molecules prefer to bind with gold clusters via the S-atom of the thiol group in vacuum and thiolate group in water. The gas-phase adsorption energies are around 20.