A molecular dynamics study on the collisional and cooling phases of cascade damage

Abstract

Presented at the IEA Workshop on the Use of Molecular Dynamics in Modelling Radiation Effects and Other Non-equilibrium Phenomena, May 6–8, 1991 at La Jolla, USA

Molecular dynamics calculations were performed to study the cascade damage evolution initiated from a primary knock-on atom of 250 eV. The thermodynamic characterization of the cascade was investigated by the Morse potential and it is found that during the cooling phase of the cascade local equilibrium was realized. Cascade evolution by the simple embedded atom method (EAM) potential was also calculated and the effects of initial target temperatures on the cascade processes were discussed.

Key Words:

• molecular dynamics
• thermodynamics of the cascade process
• collisional and cooling phases of the cascade
• macroscopic modeling
• temperature effects on the cascade evolution