Atomic scale mechanisms for the amorphisation of irradiated graphite

Modeling irradiation creep of graphite using rate theory

“…11 (right panel) shows two such configurations, which together comprise over 40% of the total point defects. We also note that our results are consistent with an electronic first principles investigation, and recent MD simulations [48,49] simulating radiation damage, which noted the absence of bridge, spiro and ylid structures in irradiated graphite [50]. Our MD simulations thus indicate that bridge-like defects are unlikely to be present in significant numbers in irradiated graphite.…”

Rearrangement of interstitial defects in alpha-Fe under extreme condition

“…We apply a demarche introduced first by Limoge et al [34] in which periodic creation of Frenkel pairs is designed to mimic irradiation. Such methodology already provided valuable insights on mechanisms of irradiation induced amorphization in metallic systems, like copper-titanium intermetallics [35] or Ni-Zr solid solution [36,37], as well as in oxides [38,39] or in graphite [40]. With this methodology, in nano-metric supercells, we scrutinize on the fly the evolution of defectsincluding C15 clusters and both ½<111> loops and <100> loops -as a function of dose up to 1.0 dpa.…”

In situ atomic-scale observation of irradiation induced carbon nanocrystalline formation from dense carbon clusters

“…Graphite is an excellent material and has been widely used in nuclear reactors; an important link in the application of new types of nuclear graphite is the irradiation effect assessment [23,24]. During the operation of a reactor, carbon atoms would be displaced from their lattice sites several times, resulting in property changes of the graphite that would directly affect the safety and lifetime of graphite reactors [23][24][25][26]. In this study, it was vital to use high quality single crystals to allow clear observation and interpretation of features.…”