Molecular dynamics (MD) simulations were used to obtain threshold displacement energies (Ed) of atoms along specific directions in MgO. In the simulation, an atom in the center of the cell was given kinetic energy along a specific crystallographic direction. The positions and site potential energies of the primary knock-on atom (pka) and all neighboring atoms were monitored as a function of time.
Revised: November 25, 2003 |
Published: May 10, 2000
Citation
Park B., W.J. Weber, and L.R. Corrales. 2000.Molecular Dynamics Study of the Threshold Displacement Energy in MgO.Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 166-167.PNNL-SA-32106.