In the present study, molecular dynamics simulations have been utilized to provide fundamental understanding of melting behavior of pure Pd and Pt nanoparticles with the size of 10 nm in diameter, both free and graphene-supported during continuous heating. The embedded atom method is employed to model the metal-metal interactions, whereas a Lennard-Jones potential is applied to describe the met...

The problem of determining which activated ~and slow! transitions can occur from a given initial state at a finite temperature is addressed. In the harmonic approximation to transition state theory this problem reduces to finding the set of low lying saddle points at the boundary of the potential energy basin associated with the initial state, as well as the relevant vibrational frequencies. Al...

Abstract An interatomic potential for the ternary Ag–Cu–Sn system, an important material system related to applications of lead-free solders, is developed on basis second nearest-neighbor modified embedded-atom-method formalism. Potential parameters and binary systems are determined based recently improved unary description pure Sn present improvements descriptions Ag Cu. To ensure sufficient p...

Magnetic tunnel junctions (MTJs) require the growth of a thin (∼20 Å) dielectric metal oxide layer, such as Al2O3, on a ferromagnetic metal layer, such as Co, CoFe, or CoNiFe. The atomic assembly mechanisms that combine to form a uniformly thin metal oxide layer on these metal surfaces are not well understood. The application of molecular dynamics simulations to the growth of metal and metal ox...