Dislocation Loops Parameterization for Ion Channeling Analysis of High‐Temperature Ar‐Implanted NiFe and NiFeCoCr Alloys

Face‐centered cubic (fcc) Ni‐based alloys are among the leading candidates for structural materials in nuclear reactors, owing to their superior resistance to extreme environmental conditions and remarkable radiation tolerance. Thus, the study and modeling of the radiation behavior of such material seem particularly important to predict its final microstructural evolution. Rutherford backscattering spectrometry in channeling mode (RBS/C) is extensively utilized for assessing the structural properties of ion‐implanted single crystals, mainly due to the quantitative nature and depth resolution of the technique. Moreover, different types of radiation‐induced defects have distinct effects on the RBS/C spectra. This study investigates defect formation in high‐temperature (≈800 K) ion‐implanted equiatomic Ni‐based single crystals, specifically NiFe and NiFeCoCr, through an integrative approach that combines structural and mechanical analysis with advanced simulation methods. To replicate neutron radiation damage, ion implantations are conducted using 380 keV Ar ions with fluences ranging from 1 × 10 ¹⁴ up to 1 × 10 ¹⁶ cm ⁻² . The novelty of this manuscript lies in the use of molecular dynamics (MD) for modeling and parameterizing structural bending of the atomic rows near dislocation edges and utilizing the results for Monte Carlo (MC) simulations using the latest version of the MC‐based McChasy‐1 code.