Vibrational and cohesive properties in 4d and 5d transition metals: systematics and interrelations.

Motivated by the striking regularities between experimental quantities related to the vibrational properties of the 4d and 5d series early noted by Fernández Guillermet and Grimvall [Phys. Rev. B, 1989, 40(3), 1521], a systematic theoretical study has been made of the vibrational density of states (VDOS) of Ag, Au, Pd, Pt, Rh, Ir, Ru, Os, Tc, Re, Mo, W, Nb, Ta, Zr and Hf.

Systematics of vibrational properties of Au nanoparticles: a molecular dynamics approach.

This paper reports the results of a Molecular Dynamics (MD) study of the vibrational properties of spherical Au nanoparticles with a number of atoms () varying in the range 1985 ≤ ≤ 53 117. The LAMMPS code is adopted to calculate the vibrational density of states (VDOS), represented by () function. Two interatomic potentials, an EAM and a MEAM are used.

Phenomenology of the heating, melting and diffusion processes in Au nanoparticles.

The paper reports the results of a molecular dynamics study of the heating and melting process of nanoparticles with 1985 to 84 703 atoms. Building on a previous study by the present authors [Bertoldi, et al., J.

Analytical solution of the mean field Ising model for finite systems.

The Ising model for finite systems, e.g. for clusters of different sizes and crystal lattices, was solved analytically by the mean field approach.