Atomistic simulation of energetic displacement cascades near an Ni–graphene interface

Recent Progress on Interfaces in Nanomaterials for Nuclear Radiation Resistance

“…Recently, the atomistic simulation of energetic displacement cascades near an Ni‐graphene interface has been carried out. It indicates that the increasing cascade energy in the interval 0.5‐10 keV could significantly facilities the growth of defects, while there is slight effect on the number of surviving defects in Ni matrix when regulating the ambient temperature from 100 K to 900 K [128] . With the synergistic effects between the irradiation annealing and ambient temperature annealing, the damaged graphene tends to be self‐healing, and the interfaces act effective sinks for irradiation‐induced defects in all cases.…”

Molecular Dynamics Studies of Primary Irradiation Damage in α‐Type Ti35 Alloy

“…Especially, the irradiation annealing lasts for nearly 20 ps at the simulation temperature of 700 K. Furthermore, the N FP surviving upon subsequent annealing presents a declining trend with the increase of simulation temperature, consistent with the findings in other metals. [23,26]…”

“…[21] Subsequently, many vacancies and interstitials in cascades tend to aggregate to assemble into dislocation loops, stacking fault tetrahedra, and voids, among others within the materials, ultimately resulting in irradiation embrittlement, hardening, swelling, phase instability, etc. [22,23] Thus, the DOI: 10.1002/pssb.202200560 α-type Ti35 alloy (Ti-6 wt%Ta) has been recommended as one of the candidate materials for advanced nuclear reactors due to its excellent overall performance. Nonetheless, irradiation effects on the alloy remain scarcely understood by far.…”

“…However, for most of the current experimental techniques, it is difficult to accurately acquire the microscopic information of defect evolutions, since the whole growth and development process of primary irradiation damage is on the spatial and temporal scales of the orders of nanometers and picoseconds. [21,23] Due to the limitations of experiments, classical molecular dynamics (MD) is still the most appropriate method to study the creation, mobility, clustering, and interaction of point defects, attributing to its success in providing atomic-level information on displacement damage on the dimension of ps-nm in various materials in the past few decades. [21][22][23][24][25] In this work, to illustrate the irradiation response of Ti35 alloy, MD simulations were utilized to investigate collision cascades within the material.…”

“…[21,23] Due to the limitations of experiments, classical molecular dynamics (MD) is still the most appropriate method to study the creation, mobility, clustering, and interaction of point defects, attributing to its success in providing atomic-level information on displacement damage on the dimension of ps-nm in various materials in the past few decades. [21][22][23][24][25] In this work, to illustrate the irradiation response of Ti35 alloy, MD simulations were utilized to investigate collision cascades within the material. A single crystal of hcp Ti was chosen as a model material to understand the primary damage formation in Ti35 alloy, consistent with previous studies in terms of system simplification.…”