Investigation of alumino-silicate glasses by coupling experiments and simulations: Part II - radiation effects

Delaye, Jean‐Marc; Gac, A. Le; Macaluso, S.; Angeli, Frédéric; Lodesani, Federica; Charpentier, Thibault; Peuget, S.

doi:10.1016/j.jnoncrysol.2021.120969

Cited by 4 publications

(4 citation statements)

References 34 publications

(36 reference statements)

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“…It means that the topological disorder increases with the thermal quench rate. This result is in good agreement with previous simulations 21,56–58 …”

Section: Resultssupporting

confidence: 93%

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Radiation effects on the structure and alteration behavior of an SiO₂–Al₂O₃–B₂O₃–Na₂O glass

Jan

Delaye

Kaya

et al. 2022

Int J of Appl Glass Sci

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As borosilicate glasses are used in many countries to immobilize fission products and minor actinides after spent fuel reprocessing before storage in a deep geological repository, assessing that their chemical durability is of paramount importance. Here, pristine and preirradiated (952 MeV, 136Xe) SiO 2 -B 2 O 3 -Al 2 O 3 -Na 2 O glasses with the same molar ratios as in the French SON68 and ISG glasses have been subjected to aqueous corrosion in deionized water and in silica-saturated solution to measure the initial and longer term alteration rates. Pristine and preirradiated glasses corrode following the same mechanisms, but the preirradiation has a strong impact on the initial dissolution rate (increase by a factor of 5.6), and on the alteration layer depth in silica-saturated conditions (by two-to threefolds). The later result is related to the formation of a more porous, less passivating gel on the preirradiated glass specimen. Using both experimental spectroscopies (NMR, IR, and SFG) and classical molecular dynamics, the radiation effects on the glass structure and water diffusion have been assessed. After preirradiation, the density and the polymerization degree of the glass decrease, whereas the topological disorder increases. In consequence, water diffusion accelerates. These observations allow to correlate the radiation impact on the alteration behavior to the structural changes.

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“…It means that the topological disorder increases with the thermal quench rate. This result is in good agreement with previous simulations 21,56–58 …”

Section: Resultssupporting

confidence: 93%

“…This result is in good agreement with previous simulations. 21,[56][57][58] The topological disorder increase can also be observed on the bond angle distributions. On Figure 14, the Si-O-Si and Si-O-Al bond angle distributions are plotted.…”

Section: F I G U R E 1 3 King Ring Size Distributions (In Percentages...mentioning

confidence: 90%

Radiation effects on the structure and alteration behavior of an SiO₂–Al₂O₃–B₂O₃–Na₂O glass

Jan

Delaye

Kaya

et al. 2022

Int J of Appl Glass Sci

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“…The previous equations are homolysis procedures involving numerous intermediates. Partially, like H(O)•, Al/Si-(O)• radicals have been certified, [57][58][59][60][61][62] partially like e N , H-atom moves have not. Major difficulties rely on material composition complexity and analysis technology shortcoming.…”

Section: H (O) ⋅ or 𝑒 Movementioning

confidence: 98%

An exploration of lattice transformation mechanism of muscovite single crystal under EB irradiation at 0–1000 kGy

Wang,

Sun,

Xia

et al. 2023

J Am Ceram Soc.

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Electronic components made by inorganics (e.g., mica) play key roles in function exertion of instruments working in outer‐layer space, enduring long‐term β ray irradiation. Its damage is vital while explored rarely. Herein, pure muscovite crystals were chosen and irradiated by an electron beam (EB) in air with dose up to 1000 kGy. Then, micro‐geometry morphology variation in Z‐axis and microstructural transformation mechanism were explored by XRD, FT‐ATR IR, TGA, XPS and CA analysis. Main results reveal that muscovite lattice is unstable to EB irradiation. With dose increases to 1000 kGy interlayer space d of (002) lattice varied 2% near 0.2 Å. At low dose irradiation lattice expansion is readily to occur while at higher dose it is lattice shrinkage, showing a transformation from expansion to shrinkage. Concurrently, chemical structure varied, H2O amount increased, metal element valance and surface wettability were reduced. Where, dehydroxylation occurred exceeding H2O radiaolysis and evaporation, and framework cleavage be severe. Binding energies of metals of 1000 kGy‐irradiated species decreased by 0.2 eV, CA of 100 kGy‐irradiated species increased by 10°. Intrinsic mechanisms involve framework destruction, H‐atom migration, hydrogen bond formation/destruction and H2O radiolysis. At low dose irradiation, H‐atom migration and hydrogen bond formation/destruction are predominant, inducing lattice expansion; at higher dose, framework cleavage is intensive and crucial, inducing shrinkage. During which, partial H2O occurred radiolysis, reducing valence. Generally, H‐atom migration and interface cleavage played key roles in microgeometry morphology variation of muscovite crystal under EB irradiation at 0–1000 kGy. To enhance muscovite geometry morphology‐stability under a long‐term β‐ray irradiation condition OH and hydrogen bond contents should be reduced and interface region should be strengthened (e.g., lessening vacancies or compacting stacking). This conclusion promotes design of radiation‐resistant silicate material, guiding manufacture of electronic component used in aerospace industry, significant.This article is protected by copyright. All rights reserved

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“…The main structural damage in nuclear glasses is due to recoil nuclei from alpha emitters 16 . They are of ballistic and electronic nature, leading to a slight variations in glass density 17 , a decrease in boron coordination, an increase in hardness, and fracture toughness 18 . These effects can be simulated by external irradiations with heavy ions, although it is not possible to reproduce exactly the effects of self-irradiation by fission products and minor actinides contained in nuclear glass using a single and unidirectional external irradiation 19 .…”

mentioning

confidence: 99%

Effect of structural disorder induced by external irradiation with heavy ions on the alteration of a four oxide borosilicate glass

Gin,

Taron,

Arena

et al. 2024

npj Mater Degrad

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The irradiation of glass by heavy ions induces structural damage, generally leading to a decrease in its chemical durability whose amplitude strongly depends on the glass chemical composition. Here, we investigate the effects of irradiation by 7 MeV Au ions (simulating the main ballistic effects induced by self-irradiation in nuclear glass) on the behavior of a 4-oxide borosilicate glass in both the initial and residual dissolution regimes. The comparison between irradiated and non-irradiated glasses provides insights into the predominant atomic mechanisms governing glass alteration processes. The most pronounced effect is observed on interdiffusion in acidic conditions, with the rate increased by more than an order of magnitude for the irradiated glass. We show that both the interdiffusion regime and the residual regime are controlled by the hydrolysis of the B—O—Si linkages, whereas under initial dissolution rate regime in basic conditions the rate-limiting step becomes the hydrolysis of Si—O—Si linkages. Overall, the observations suggest structural disorder due to external irradiation by Au ions primarily affects the kinetics of glass alteration without changing the fundamental nature of the limiting reactions.

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Investigation of alumino-silicate glasses by coupling experiments and simulations: Part II - radiation effects

Cited by 4 publications

References 34 publications

Radiation effects on the structure and alteration behavior of an SiO₂–Al₂O₃–B₂O₃–Na₂O glass

Radiation effects on the structure and alteration behavior of an SiO₂–Al₂O₃–B₂O₃–Na₂O glass

An exploration of lattice transformation mechanism of muscovite single crystal under EB irradiation at 0–1000 kGy

Effect of structural disorder induced by external irradiation with heavy ions on the alteration of a four oxide borosilicate glass

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Investigation of alumino-silicate glasses by coupling experiments and simulations: Part II - radiation effects

Cited by 4 publications

References 34 publications

Radiation effects on the structure and alteration behavior of an SiO2–Al2O3–B2O3–Na2O glass

Radiation effects on the structure and alteration behavior of an SiO2–Al2O3–B2O3–Na2O glass

An exploration of lattice transformation mechanism of muscovite single crystal under EB irradiation at 0–1000 kGy

Effect of structural disorder induced by external irradiation with heavy ions on the alteration of a four oxide borosilicate glass

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Radiation effects on the structure and alteration behavior of an SiO₂–Al₂O₃–B₂O₃–Na₂O glass

Radiation effects on the structure and alteration behavior of an SiO₂–Al₂O₃–B₂O₃–Na₂O glass