Relevancy of displacement cascades features to the long term point defect cluster growth

Primary Radiation Damage Formation

“…When the necessary parameters have been calibrated using the results of an appropriate database of MD cascade results, the BCA codes have been shown to reproduce the results of MD simulations reasonably well. 39,40 A detailed description of the MD method is given in Chapter 1.09, Molecular Dynamics, and will not be repeated here. Briefly, the method relies on obtaining a sufficiently accurate analytical interatomic potential function that describes the energy of the atomic system and the forces on each atom as a function of its position relative to the other atoms in the system.…”

Long term simulation of point defect cluster size distributions from atomic displacement cascades in Fe 70 Cr 20 Ni 10

“…The invariance on the displacement cascades damage energy of the point defect cluster size distributions in the long term as identified in BCC Fe in our previous work [11] is related to a feature of displacement cascades which is revealed in the long term evolution at the micron scale. This shows that, although the OKMC scheme is entirely stochastic, some short term and short range properties propagate in the long term at the micron scale.…”

Modeling the long-term evolution of the primary damage in ferritic alloys using coarse-grained methods

“…MD cascades were also used for comparison. Such a study was performed using the LAKIMOCA code [78,[80][81][82]. The simulations were performed with the three different parameterizations of SIA and SIA-cluster mobility, as described in Section 3.1.…”

“…In order to further investigate this point, a large number of displacement cascades were generated in Fe by means of the MAR-LOWE BCA code with PKA energies ranging from 5 to 100 keV, to serve as input for the OKMC simulations [82]. One important result arising from this further study is that the size distributions of the vacancies and interstitials clustered in the long term are almost insensitive to the PKA energy in this range, as can be seen in Fig.…”