Contribution of atom-probe tomography to a better understanding of glass alteration mechanisms: Application to a nuclear glass specimen altered 25years in a granitic environment

Gin, Stéṕhane; Ryan, Joseph V.; Schreiber, Daniel K.; Neeway, James J.; Cabié, Martiane

doi:10.1016/j.chemgeo.2013.04.001

Cited by 111 publications

(160 citation statements)

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Section: 2mentioning

confidence: 99%

“…The resulting alteration layer is thus composed of an inter-diffusion region, an amorphous hydrated layer, and the crystalline reaction product layer schematically shown in Fig. 1. 7 A more accurate picture of the regions has been obtained by advanced characterization techniques such as atom probe tomography on corroded glasses 8,9 so that the nature of the alteration layer and related interface morphology can be more clearly understood.Despite progress of experimental investigations of glass dissolution using advanced characterization methods such as atom probe tomography, high-resolution transmission electron microscopy, nano-secondary ion mass spectrometry (nanoSIMS), nuclear magnetic resonance spectroscopy (NMR), sum-frequency generation etc., it is still challenging to study detailed reaction mechanisms, hydrated glass and gel layers structure with nanoand mirco-porosity, as well as kinetic and transport behaviors. Atomistic computer simulations can provide detailed mechanistic information to refine our understanding of glass dissolution and shed light on key processes that control dissolution behaviors.…”

mentioning

confidence: 99%

“…1. 7 A more accurate picture of the regions has been obtained by advanced characterization techniques such as atom probe tomography on corroded glasses 8,9 so that the nature of the alteration layer and related interface morphology can be more clearly understood.…”

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confidence: 99%

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Atomistic computer simulations of water interactions and dissolution of inorganic glasses

Rimsza

2017

npj Mater Degrad

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Computer simulations at the atomistic scale play an increasing important role in understanding the structure features, and the structure-property relationships of glass and amorphous materials. In this paper, we reviewed atomistic simulation methods ranging from first principles calculations and ab initio molecular dynamics (AIMD) simulations, to classical molecular dynamics (MD), and meso-scale kinetic Monte Carlo (KMC) simulations and their applications to study the reactions and interactions of inorganic glasses with water and the dissolution behaviors of inorganic glasses. Particularly, the use of these simulation methods in understanding the reaction mechanisms of water with oxide glasses, water-glass interfaces, hydrated porous silica gels formation, the structure and properties of multicomponent glasses, and microstructure evolution are reviewed. The advantages and disadvantageous of these simulation methods are discussed and the current challenges and future direction of atomistic simulations in glass dissolution presented.npj Materials Degradation (2017) 1:16 ; doi:10.1038/s41529-017-0017-yThe corrosion or degradation of glasses in aqueous solutions are critical in a number of engineering and technological processes ranging from microelectronic packaging, glass reaction chambers, and the immobilization of nuclear waste materials, as well as in healthcare and biomedical fields such as dissolution of inhaled glass fibers and bioactive glasses for biomedical applications. In particular, immobilizing radioactive waste in borosilicate glasses is widely accepted as a preferred method to treat nuclear waste materials generated from civilian and military sources. This process, also known as vitrification, is a critical component of the cycle of nuclear energy to combat global environmental and energy challenges. Researchers from around the world have extensively invested in understanding glass corrosion in an effort to predict the long-term stability and release rate radionuclides to the environment during nuclear waste storage. 1,2Various mechanisms for glass corrosion have been proposed and despite intensive experimental investigations with advanced characterization techniques results are unclear. It is generally accepted that the corrosion of glass consists of a set of complex processes including hydration, hydrolysis, and ion-exchange that are coupled during glass dissolution. The initial stage is interdiffusion of proton or hydronium ions from the solution with sodium or other alkali ions in the glass.3 This is followed by the hydrophilic attack of water on the Si-O-Si or Si-O-Al linkages that lead to hydroxylation of the silicate glass network. The remaining hydrolyzed glass skeleton then undergoes condensation and repolymerization to form the hydrated nanoporous silica rich gel layer which can be protective, decreasing dissolution to a residual rate. [4][5][6] The morphology of the gel layer, such as thickness, pore structure, and chemical composition, depends on the original glass composition and the pH...

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Section: 2mentioning

confidence: 99%

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Atomistic computer simulations of water interactions and dissolution of inorganic glasses

Rimsza

2017

npj Mater Degrad

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“…In this regard, the width of the reaction zone constrains to some extent the mechanisms involved, since a sharp boundary is not compatible with models presented earlier in which leaching occurs by inter-diffusion over a significant width of the gel corrosion layer. In addition, the spatial ordering of concentration profiles (coincident or non-coincident) may offer constraint on the mechanisms involved (Gin et al, 2013).…”

Section: Introductionmentioning

confidence: 99%

“…The focus of the modeling is an experiment involving a French glass SON68 specimen leached for 25 years in a granitic environment Gin et al, 2011;Gin et al, 2013). The 25 year experiment carried out by French scientists offers a unique opportunity to examine the controls on the rate of nuclear glass corrosion under controlled experimental conditions using a borosilicate glass of the kind widely considered for nuclear waste storage.…”

Section: Introductionmentioning

confidence: 99%

Micro-Continuum Modeling of Nuclear Waste Glass Corrosion

Steefel¹

2014

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Acid weathering of basalt and basaltic glass: 2. Effects of microscopic alteration textures on spectral properties

et al. 2017

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Acid alteration has long been proposed for the Martian surface, and so it is important to understand how the resulting alteration textures affect surface spectra. Two basaltic materials of varying crystallinity were altered in two different H2SO4 solutions (pH 1 and pH 3) for 220 days. The unaltered and altered samples were studied in the visible and near infrared (VNIR) and thermal infrared (TIR), and select samples were chosen for scanning electron microscopy analysis. Materials altered in pH 3 solutions showed little to no physical alteration, and their spectral signatures changed very little. In contrast, all materials altered in pH 1 acid displayed silica‐rich alteration textures, and the morphology differed based on starting material crystallinity. The more crystalline material displayed extensive alteration reaching into the sample interiors and had weaker silica spectral features. The glass sample developed alteration layers tens of microns thick, exhibiting amorphous silica‐rich spectral features that completely obscured the substrate. Thus, the strong absorption coefficient of silica effectively decreases the penetration depth of TIR spectral measurements, causing silica abundances to be grossly overestimated in remote sensing data. Additionally, glass samples with silica layers exhibited distinct concave up blue spectral slopes in the VNIR. Spectra from the northern lowland plains of Mars are modeled with high abundances of amorphous silica and exhibit concave up blue spectral slopes and are thus consistent with acid altered basaltic glass. Therefore, we conclude that large regions of the Martian surface may have formed through the interaction of basaltic glass with strongly acidic fluids.

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Contribution of atom-probe tomography to a better understanding of glass alteration mechanisms: Application to a nuclear glass specimen altered 25years in a granitic environment

Cited by 111 publications

References 58 publications

Atomistic computer simulations of water interactions and dissolution of inorganic glasses

Atomistic computer simulations of water interactions and dissolution of inorganic glasses

Micro-Continuum Modeling of Nuclear Waste Glass Corrosion

Acid weathering of basalt and basaltic glass: 2. Effects of microscopic alteration textures on spectral properties

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