TY - JOUR
T1 - Effects of cascade-induced dislocation structures on the long-term microstructural evolution in tungsten
AU - Bonny, G.
AU - Castin, N.
AU - Bakaev, A.
AU - Sand, Andrea Elisabet
AU - Terentyev, D.
PY - 2020/8
Y1 - 2020/8
N2 - In recent years, a number of systematic investigations of high-energy collision cascades in tungsten employing advanced defect analysis tools have shown that interstitial clusters can form complex non-planar dislocation structures. These structures are sessile in nature and may potentially have a strong impact on the long-term evolution of the radiation microstructure. To clarify this aspect, we selected several representative primary damage states of cascades debris and performed annealing simulations using molecular dynamics (MD). We found that immobile complexes of non-planar dislocation structures (CDS) evolve into glissile and planar shaped 1/2〈1 1 1〉 loops with an activation energy of ~1.5 eV. The CDS objects were implemented in an object kinetic Monte Carlo (OKMC) model accounting for the event of transformation into 1-D migrating loops, following the MD data. OKMC was then used to investigate the impact of the transformation event (and the associated activation energy) on the evolution of the microstructure.
AB - In recent years, a number of systematic investigations of high-energy collision cascades in tungsten employing advanced defect analysis tools have shown that interstitial clusters can form complex non-planar dislocation structures. These structures are sessile in nature and may potentially have a strong impact on the long-term evolution of the radiation microstructure. To clarify this aspect, we selected several representative primary damage states of cascades debris and performed annealing simulations using molecular dynamics (MD). We found that immobile complexes of non-planar dislocation structures (CDS) evolve into glissile and planar shaped 1/2〈1 1 1〉 loops with an activation energy of ~1.5 eV. The CDS objects were implemented in an object kinetic Monte Carlo (OKMC) model accounting for the event of transformation into 1-D migrating loops, following the MD data. OKMC was then used to investigate the impact of the transformation event (and the associated activation energy) on the evolution of the microstructure.
UR - https://researchportal.helsinki.fi/en/publications/b5647e07-c57f-4320-84b6-1ae842870ff7
UR - http://www.scopus.com/inward/record.url?scp=85084059711&partnerID=8YFLogxK
U2 - 10.1016/j.commatsci.2020.109727
DO - 10.1016/j.commatsci.2020.109727
M3 - Article
VL - 181
JO - Computational Materials Science
JF - Computational Materials Science
SN - 0927-0256
M1 - 109727
ER -