February 01, 2017
The paper "Reconciling simulated melting and ground-state properties of metals with a modified embedded-atom method potential" by Gennady Sushko, Alexey Verkhovtsev, Christian Kexel, Andrei Korol, Stefan Schramm and Andrey V. Solov’yov [1] was selected by the Journal of Physics: Condensed Matter and included into the journal's collection of Highlights of 2016.
In that paper there was proposed a modification of the widely utilized embedded-atom method (EAM)-type interatomic potential that is able to correctly reproduce both the melting temperature and the properties of metal systems under normal conditions by means of classical molecular dynamics (MD) simulations.
The analysis performed revealed that the proper accounting for the long-distance interatomic interactions is crucial for a quantitatively correct simulation of melting and other excited vibrational state properties of the system being sensitive to the behavior of the interatomic interaction potentials far from their potential energy minima.
The Highlights of 2016 papers were selected by the editors of Journal of Physics: Condensed Matter and the publisher on the basis of referee endorsements, presentation of outstanding research and popularity with the journal’s online readership. The selected articles are free to read until the end of December 2017.
[1] Gennady Sushko, Alexey Verkhovtsev, Christian Kexel, Andrei Korol, Stefan Schramm, and Andrey V. Solov'yov, Reconciling simulated melting and ground-state properties of metals with a modified embedded-atom method potential, J. Phys.: Condens. Matter 28, 145201 (2016)