The 4th International Conference on Matter and Radiation at Extremes (ICMRE 2019)

357 / 2019-02-27 20:25:52

Molecular dynamics simulation of copper damage induced by X-ray pulse

X-ray radiation; Recrystallization; Molecular dynamics; Monte Carlo

Plenary track > Science and Technology based on XFEL

The damage evolution of single copper under hard X-ray (10kev) pulse radiation was investigated via molecular dynamics (MD) simulation coupled with Monte Carlo (MC) method. MC method is used to simulate the energy deposition process of photon according to pre-set conditions. Then, dynamic evolution of copper is examined via MD simulations for various radiation conditions. The simulation results indicate that the damage degree increases with increasing radiation energy. The high radiation energy can lead to melt of copper and time scale of melt depends on simulation conditions. Discrete melt regions with high temperature can be observed during the Initial stage. As simulation time goes on, those discrete regions expand and coalesce with each other due to continuous evolution of structure. And recrystallization is also observed the influence of radiation energy on melt and recrystallization process is discussed as well.