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Multi-scale simulation of the experimental response of ion-irradiated zirconium carbide: Role of interstitial clustering
Multi-scale simulation of the experimental response of ion-irradiated zirconium carbide: Role of interstitial clustering
- Source :
- Acta Materialia, Acta Materialia, Elsevier, 2015, 102, pp.Pages 79-87. ⟨10.1016/j.actamat.2015.09.004⟩, Acta Materialia, 2015, 102, pp.Pages 79-87. ⟨10.1016/j.actamat.2015.09.004⟩
- Publication Year :
- 2016
- Publisher :
- Elsevier BV, 2016.
-
Abstract
- International audience; The response of zirconium carbide to heavy-ion irradiation at room temperature has been studied by X-ray diffraction, ion channeling and transmission electron microscopy. Below 5 × 1014 cm−2, we observe a build-up of elastic strain with increasing fluences. At this threshold fluence the strain is released and important dechanneling appears as well as visible TEM damage. With increasing fluence, this damage is found to spread in the material deeper than the depth of direct damaging by the ion beam. These experimental observations are reproduced and explained by Density Functional Theory informed Rate Equation Cluster Dynamics simulations. Simulations show that the response of ZrC upon ion-irradiation is driven by the diffusion and clustering of interstitials. The two-step evolution seen in experiments stems from the growth of interstitial clusters with a concomitant starvation of the smallest clusters induced by the continuous accumulation of vacancies. The damaging of the material beyond the range of primary damage is driven by diffusion of interstitials.
- Subjects :
- Materials science
Polymers and Plastics
Ion beam
02 engineering and technology
01 natural sciences
Molecular physics
Fluence
Ion
Zirconium carbide
Interstitial clusters
chemistry.chemical_compound
0103 physical sciences
Irradiation
[PHYS.COND]Physics [physics]/Condensed Matter [cond-mat]
Diffusion (business)
[PHYS]Physics [physics]
010302 applied physics
Metals and Alloys
Rate equation
021001 nanoscience & nanotechnology
Rate equation cluster dynamics
Electronic, Optical and Magnetic Materials
Crystallography
chemistry
Ion irradiation
Transmission electron microscopy
Ceramics and Composites
0210 nano-technology
Subjects
Details
- ISSN :
- 13596454
- Volume :
- 102
- Database :
- OpenAIRE
- Journal :
- Acta Materialia
- Accession number :
- edsair.doi.dedup.....5311b4073a151765afa6ad219e27976a
- Full Text :
- https://doi.org/10.1016/j.actamat.2015.09.004