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Lattice strain in irradiated materials unveils a prevalent defect evolution mechanism
- Source :
- Physical Review Materials, Physical Review Materials, American Physical Society, 2018, 2 (1), pp.013604. ⟨10.1103/PhysRevMaterials.2.013604⟩, Physical Review Materials, 2018, 2 (1), pp.013604. ⟨10.1103/PhysRevMaterials.2.013604⟩
- Publication Year :
- 2018
- Publisher :
- HAL CCSD, 2018.
-
Abstract
- International audience; Modification of materials using ion beams has become a widespread route to improve or design materials for advanced applications, from ion doping for microelectronic devices to emulation of nuclear reactor environments. Yet, despite decades of studies, major issues regarding ion/solidinteractions are not solved, one of them being the lattice-strain development process in irradiated crystals. In this work, we address this question using a consistent approach that combines X-ray diffraction (XRD) measurements with both molecular dynamics (MD) and rate equation clusterdynamics (RECD) simulations. We investigate four distinct materials that differ notably in terms of crystalline structure and nature of the atomic bonding. We demonstrate that these materials exhibit a common behaviour with respect to the strain development process. In fact, a strain build-upfollowed by a strain relaxation is observed in the four investigated cases. The strain variation is unambiguously ascribed to a change in the defect configuration, as revealed by MD simulations. Strain development is due to the clustering of interstitial defects into dislocation loops, while the strain release is associated with the disappearance of these loops through their integration into a network of dislocation lines. RECD calculations of strain depth profiles, which are in agreement with experimental data, indicate that the driving force for the change in the defect nature is the defect clustering process. This study paves the way for quantitative predictions of the microstructure changes in irradiated materials.
- Subjects :
- Diffraction
computation
Materials science
Physics and Astronomy (miscellaneous)
02 engineering and technology
01 natural sciences
Atomic units
Ion
[SPI.MAT]Engineering Sciences [physics]/Materials
Molecular dynamics
strain
0103 physical sciences
General Materials Science
010306 general physics
ComputingMilieux_MISCELLANEOUS
defects
atomic scale
Strain (chemistry)
irradiation
Relaxation (NMR)
[CHIM.MATE]Chemical Sciences/Material chemistry
021001 nanoscience & nanotechnology
Microstructure
X-ray diffraction
Chemical physics
Dislocation
0210 nano-technology
Subjects
Details
- Language :
- English
- ISSN :
- 24759953
- Database :
- OpenAIRE
- Journal :
- Physical Review Materials, Physical Review Materials, American Physical Society, 2018, 2 (1), pp.013604. ⟨10.1103/PhysRevMaterials.2.013604⟩, Physical Review Materials, 2018, 2 (1), pp.013604. ⟨10.1103/PhysRevMaterials.2.013604⟩
- Accession number :
- edsair.doi.dedup.....7453e764a0f63c22112bc71c96e1a399
- Full Text :
- https://doi.org/10.1103/PhysRevMaterials.2.013604⟩