EAM – TechConnect Briefs

An Embedded Atom Method for Alloy Nanoparticles

Shan B., Hyun J., Wang L., Yang S., Kapur N., Nicholas J.B., Nanostellar Inc., US

We present the development and application of a high-accuracy embedded atom method (EAM) potential for the simulation of metal alloy nanoparticles. The potential was parametrized by a large set of density functional theory (DFT) calculations [...]

Atomistic Simulations of Wetting and Spreading in Metal Systems

Webb III E.B., Grest G.S., Sandia National Laboratories, US

Using molecular dynamics (MD) simulations, we examine wetting and spreading in metallic systems as described by the embedded atom method (EAM). We first discuss a common shortcoming of EAM potentials for describing metal surfaces and [...]

Surface Morphology and Chemically Active Sites on Ru Based Ultracapacitors: Montecarlo Simulation with Embedded Atom Potentials

Blum L., Legault M.D., Zypman F.R., University of Puerto Rico, US

Transition metals and their oxides play an important role as catalyzers in chemical reactions occuring in modern batteries. In particular, ruthenium (Ru) has been identified as a promising candidate for use in next-generation batteries for [...]