Production bias due to clustering of point defects in irradiation-induced cascades

Woo, C.H.; Singh, B.N.

doi:10.1080/01418619208205596

Cited by 248 publications

(85 citation statements)

References 23 publications

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“…During the energy minimization, the single SIA tends to aggregate with the surrounding SIAs to form an SIA cluster, as shown in Figures 3(a2)-3(d2). The result agrees with the previous MD simulations that were carried out on single crystal structures where SIAs tend to cluster under cascade damage conditions [44,45]. Compared to the vacancies, SIAs and their clusters have been seen to possess a much lower activation energy [46,47] and therefore have a higher glissile mobility [48][49][50].…”

Section: Simulation Methodssupporting

confidence: 81%

Evaluation of Mechanical Properties of Σ5(210)/[001] Tilt Grain Boundary with Self-Interstitial Atoms by Molecular Dynamics Simulation

Zhang

Lü

Pei

et al. 2017

Journal of Nanomaterials

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Grain boundary (GB) can serve as an efficient sink for radiation-induced defects, and therefore nanocrystalline materials containing a large fraction of grain boundaries have been shown to have improved radiation resistance compared with their polycrystalline counterparts. However, the mechanical properties of grain boundaries containing radiation-induced defects such as interstitials and vacancies are not well understood. In this study, we carried out molecular dynamics simulations with embedded-atom method (EAM) potential to investigate the interaction of Σ5(210)/[001] symmetric tilt GB in Cu with various amounts of self-interstitial atoms. The mechanical properties of the grain boundary were evaluated using a bicrystal model by applying shear deformation and uniaxial tension. Simulation results showed that GB migration and GB sliding were observed under shear deformation depending on the number of interstitial atoms that segregated on the boundary plane. Under uniaxial tension, the grain boundary became a weak place after absorbing self-interstitial atoms where dislocations and cracks were prone to nucleate.

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Section: Simulation Methodssupporting

confidence: 81%

Evaluation of Mechanical Properties of Σ5(210)/[001] Tilt Grain Boundary with Self-Interstitial Atoms by Molecular Dynamics Simulation

Zhang

Lü

Pei

et al. 2017

Journal of Nanomaterials

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“…Under neutron irradiation, the damage rate is equal to ~0.7-1 x10 -7 dpa s -1 [28,30]. Electron irradiation may be performed at damage rates higher than neutron irradiations by a factor of ~10 5 [25], but the damage is in the form of isolated Frenkel pairs [52] which will not require significant thermal agitation to annihilate. Irradiation by heavy ions produces damage cascades smaller than that of neutron-induced cascades, and those of proton irradiations are smaller still [53].…”

Section: Spp Dissolution and Amorphisationmentioning

confidence: 99%

Nano-scale chemical evolution in a proton-and neutron-irradiated Zr alloy

Harte

Topping

Frankel

et al. 2017

Journal of Nuclear Materials

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A. Harte et al., Nano-scale chemical evolution in a proton-and neutron-irradiated Zr alloy J. Nucl. Mater. Accepted Jan. 2017 Nano-scale chemical evolution in a proton-and neutron-irradiated Zr alloy (Fe,Ni). This is accomplished through ultra-high spatial resolution scanning transmission electron microscopy and the use of energy-dispersive X-ray spectroscopic methods. Fe-depletion is observed from both SPP types after irradiation with both irradiative species, but is heterogeneous in the case of Zr(Fe,Cr) 2 , predominantly from the edge region, and homogeneously in the case of Zr 2 (Fe,Ni). Further, there is evidence of a delay in the dissolution of the Zr 2 (Fe,Ni) SPP with respect to the Zr(Fe,Cr) 2 . As such, SPP dissolution results in matrix supersaturation with solute under both irradiative species and proton irradiation is considered well suited to emulate the effects of neutron irradiation in this context. The mechanisms of solute redistribution processes from SPPs and the consequences for irradiation-induced growth phenomena are discussed.

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“…3 Models of defect evolution were then modified to take into account the clustering of defects obtained in MD calculations. This is the case of the "production bias" model 4 that included defect clustering in order to explain swelling rates measured experimentally in pure metals at low dose. 5 More recently, a combination of MD and KMC has shown that differences in the concentration of defects measured experimentally using transmission-electron microscopy (TEM) in irradiated Fe and Cu can be attributed to differences in the cascade defect distribution: MD calculations show that defects in Cu, both self-interstitials and vacancies, are typically in the form of clusters, whereas in Fe, vacancies are mostly isolated and self-interstitials are in clusters.…”

Section: Introductionmentioning

confidence: 99%

Influence of the picosecond defect distribution on damage accumulation in irradiatedα-Fe

2012

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The importance of the defect distribution produced in the first few picoseconds of a collision cascade on long-term damage evolution is studied with molecular dynamics and kinetic Monte Carlo (KMC) methods. Three different interatomic potentials are used to obtain the primary damage produced by energetic recoils in α-Fe. Contrary to previous results, a dependence of cluster-size distribution with recoil energy is obtained. Moreover, large variations in this distribution are observed depending on the interatomic potential. Using the results for 50 keV collision cascades, damage accumulation is modeled with KMC. The accumulation rate of damage visible under transmission electron microscopy predicted by KMC depends significantly on the database used for cascade damage and, therefore, on the interatomic potential. Based on these results, we show that the comparison of cluster-size distributions with experiments can be used to test the reliability of interatomic potentials.

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Production bias due to clustering of point defects in irradiation-induced cascades

Cited by 248 publications

References 23 publications

Evaluation of Mechanical Properties of Σ5(210)/[001] Tilt Grain Boundary with Self-Interstitial Atoms by Molecular Dynamics Simulation

Evaluation of Mechanical Properties of Σ5(210)/[001] Tilt Grain Boundary with Self-Interstitial Atoms by Molecular Dynamics Simulation

Nano-scale chemical evolution in a proton-and neutron-irradiated Zr alloy

Influence of the picosecond defect distribution on damage accumulation in irradiatedα-Fe

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