Effect of the interatomic potential on the features of displacement cascades in α-Fe: A molecular dynamics study

Modeling Microstructure and Irradiation Effects

“…This was confirmed by other studies in Fe [67,[158][159][160] and in W. [114] Unfortunately, the displacement (sub)cascades initiated by the PKA evolve too quickly, and their sizes are generally too small to be observed experimentally. The exception is the case of W, which was investigated with the help of a field ion microscope.…”

Surface effects and statistical laws of defects in primary radiation damage: Tungsten vs. iron

“…In W simulations, it was applied to all atoms with a kinetic energy larger than 10 eV [22]. In Fe, traditionally no electronic energy losses have been included in collision cascade simulations [5][6][7]21], and here we present results using that same convention. The effect on the defect statistics of including or excluding S e was nevertheless investigated for chosen conditions in each material, and is presented in the last part of the results section.…”

“…Molecular dynamics (MD) simulations confirm the formation of clusters directly from collision cascades in Fe (see, e.g., [5][6][7]). In W, MD simulations have further shown that the size-frequency distribution of interstitial clusters in bulk material follows a power law [8], a result supported by experiments [9].…”

Multiscale Materials Modeling of Structural Materials for Next Generation Nuclear Reactors

“…Caturla, Soneda et al (2000) compared bcc Fe with fcc Cu, finding that clustering in Fe was at least an order of magnitude less than in Cu. Terentyev, Lagerstedt et al (2006) produced a study looking solely at differences between four available potentials by applying the same defect counting criteria to each. They found that the stiffness of a potential, a somewhat arbitrary feature, was the most important factor in determining cascade properties.…”