Primary radiation damage near grain boundary in bcc tungsten by molecular dynamics simulations

Interaction of radiation-induced defects with tungsten grain boundaries at across scales: a short review

“…Then, the system was relaxed at a certain ensemble for typical hundreds of picoseconds (ps). Several researchers performed MD simulations of the cascade near W GBs [18][19][20][21]. The potential used, PKA energy, temperature, PKA distance to the GB, and the GB type are varied.…”

“…Extensive theoretical efforts were made to understand the radiation performance of NC W in terms of the defect production [14,[17][18][19][20][21] and energetic and kinetic interactions with GBs of the defects [14,17,20,[22][23][24][25][26][27][28][29]. In this paper, the theoretical advances in the across-scale selfhealing mechanisms for the radiation damage in NC W are reviewed.…”

“…Although a complete interplay picture involves the defect behavior not only near the GB [14,[17][18][19][20][21][22][23][24][25][26][27][28][29] but also in the bulk [30][31][32][33][34] or near the surface [35][36][37][38], the focus in the present paper is on the former one. Type I is relevant to defect production near the GB [14,[17][18][19][20][21]. High-energy particles, such as neutrons, ions and electrons can displace the atoms from their normal lattice sites.…”

Anti-radiation mechanisms in nanoporous gold studied via molecular dynamics simulations

“…When the PKA is closer to the surface (e.g., 2.0e6.0 nm), the number of vacancies is much greater than that of the single crystal (region B) and exhibits a maximum value at approximately 4.5 nm from the surface of PKA. Following our previous work [28], the cascade region is evaluated as 3.0 nm along the direction of PKA velocity, where the cascade region is visualized by showing the displacement vectors between the atomic positions at 0 ps and 80 ps. Therefore, the distance of 4.5 nm is the distance where the center of the cascade region is far from the surface and where the SIAs can still be absorbed efficiently by the surface, leaving a maximum number of vacancies in the cascade region.…”

Object kinetic Monte Carlo simulations of irradiated tungsten for nuclear fusion reactors

“…As previously mentioned, nanostructured materials (high GB density) are considered as "self-healing" materials under certain circumstances [46], due to the enhanced annihilation of FPs at GBs, as reported for Cu [178,179], Cu-Nb interfaces [180] and W [181]. Indeed, the effect is rather general in metals [47,48].…”