Nearly_Incommensurate_Overlayer_Systems_Vib_Properties

Published: 31 August 2021| Version 1 | DOI: 10.17632/d38sztzmwf.1
Contributor:
Obioma Uche

Description

The vibrational and structural properties of Ag and Au overlayers on Cu(001) and Ni(001) surfaces are compared. Sample raw data and calculated phonon density of states obtained from MD simulations using the LAMMPS code are included in the attached dataset. Relevant LAMMPS input files and EAM potentials for performing these simulations are enclosed in the attachment. The source code for post-processing and analyzing the results of the simulations have also been made available.

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Categories

Molecular Dynamics Simulations of Surface Phenomena

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