Effects of Al:Si and (Al + Na):Si ratios on the properties of the international simple glass, part I: Physical properties

Reiser, Joelle T.; Lu, Xiaonan; Parruzot, Benjamin; Liu, Hongshen; Subramani, Tamilarasan; Kaya, Hüseyin; Kissinger, Ryan M.; Crum, Jarrod V.; Ryan, Joseph V.; Navrotsky, Alexandra; Kim, Seong H.; Vienna, John D.

doi:10.1111/jace.17449

Cited by 17 publications

(25 citation statements)

References 94 publications

(156 reference statements)

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“…Glass formulations are discussed in Part I of this study. 49 In summary, ISG-C has the same composition as ISG and was made separately from the ISG synthesized by the Mo-Sci Corporation (Rolla, Mo, USA) in 2012. 15 It serves as a reference or control glass as it is common to both series.…”

Section: Glass Composition and Sample Preparation Detailsmentioning

confidence: 99%

“…Details of glass preparations were introduced in Part I of this study. 49 In brief, precursor batches (consisting of Al 2 O 3 , H 3 BO 3 , CaCO 3 , Na 2 CO 3 , SiO 2 , and ZrO 2 ) for each glass composition were melted using a 90%Pt-10%Rh crucible at temperatures between 1250 and 1550°C depending on compositions. The glasses were quenched, ground, and melted a second time.…”

Section: Glass Composition and Sample Preparation Detailsmentioning

confidence: 99%

“…The systems were then melted at 6000 K for 60 ps, equilibrated at 5000 K for 100 ps, and then cooled down to 300 K with a cooling rate T A B L E 1 Targeted glass compositions (mol%) and experimental density. 49 of ~5 K•ps -1 , where the NVT ensemble was applied every 100 K for 20 ps during cooling. After the melt-quench process, the structures were relaxed at 300 K using an NPT (constant number, pressure, and temperature) ensemble for 100 ps followed with the NVT ensemble for 60 ps.…”

Section: Simulation Detailsmentioning

confidence: 99%

“…This definition of Q is identical to the definition of q used for X-ray scattering analysis in Part I. 49 Since there is an uncertainty about the amount of sample relative to the amount of vanadium in the beam due to the packing density of the sample, A is treated as a variable parameter such that g(r) is zero at r smaller than the B-O bond length. S(Q) is extrapolated from Q = 0.2 Å −1 to Q = 0.…”

Section: Neutron Total Scatteringmentioning

confidence: 99%

“…The CN of Zr-O is slightly below 6 and increases with increasing Al concentration for both series. N 4 values obtained from MD, the YBDX model 51,52 reported in Part I, 49 and 11 B MAS NMR are compared in Table 3. The N 4 values from MD are generally in good agreement with NMR values (within 10% except ISG-A00N which is within 14%) and YBDX values (within 8%).…”

Section: Short-range Coordination Analysismentioning

confidence: 99%

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Effects of Al:Si and (Al + Na):Si ratios on the properties of the international simple glass, part II: Structure

Reiser

Parruzot

et al. 2020

J. Am. Ceram. Soc.

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High-alumina containing high-level waste (HLW) will be vitrified at the Waste Treatment Plant at the Hanford Site. The resulting glasses, high in alumina, will have distinct composition-structure-property (C-S-P) relationships compared to previously studied HLW glasses. These C-S-P relationships determine the processability and product durability of glasses and therefore must be understood. The main purpose of this study is to understand the detailed structural changes caused by Al:Si and (Al + Na):Si substitutions in a simplified nuclear waste model glass (ISG, international simple glass) by combining experimental structural characterizations and molecular dynamics (MD) simulations. The structures of these two series of glasses were characterized by neutron total scattering and 27 Al, 23 Na, 29 Si, and 11 B solid-state nuclear magnetic resonance (NMR) spectroscopy. Additionally, MD K E Y W O R D S aluminosilicates, borosilicate glass, international simple glass, molecular dynamics, nuclear magnetic resonance, scattering F I G U R E 1 Neutron total scattering structure factor spectra obtained from (A-B) experimental data and (C-D) MD simulation for (A, C) ISG-An and (B, D) ISG-AnN glasses.

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Section: Glass Composition and Sample Preparation Detailsmentioning

confidence: 99%

Section: Glass Composition and Sample Preparation Detailsmentioning

confidence: 99%

Section: Simulation Detailsmentioning

confidence: 99%

Section: Neutron Total Scatteringmentioning

confidence: 99%

Section: Short-range Coordination Analysismentioning

confidence: 99%

See 3 more Smart Citations

Effects of Al:Si and (Al + Na):Si ratios on the properties of the international simple glass, part II: Structure

Reiser

Parruzot

et al. 2020

J. Am. Ceram. Soc.

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An investigation into gamma radiation shielding parameters of the (Al:Si) and (Al+Na):Si-doped international simple glasses (ISG) used in nuclear waste management, deploying Phy-X/PSD and SRIM software

Kamislioglu

2021

J Mater Sci: Mater Electron

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In this investigation, the gamma photon shielding properties for the (Al:Si) and (Al+Na):Si dopped ISG glasses were investigated by using Photon Shielding and Dosimetry (Phy-X / PSD) software for the selected energy range. The obtained results showed that the highest MAC value belong to ISG-A00N glass. It was seen that the MAC values which were examined at all energies changed in harmony with WinXCom. Substituting an atomic fraction of (Al:Si) with (Al+Na):Si resulted in a reduction of the total atomic cross-section of the glass, which lowered the mass attenuation coefficient (MAC). In this study, computations were made for glasses with SiO 2 , Al 2 O 3 , B 2 O 3 , Na 2 O, CaO and ZrO 2 content given with ISG-C, ISG-A00, ISG-A12, ISG-A22, ISG-A00N, ISG-A11N, ISG-A18N and ISG-A23N codes. MAC, LAC, HVL, TVL, Z eff , N eff , C eff Z eq , EBF, EABF and FNRCS calculations were applied to assess the radiation protection parameters by using Phy-X/PSD software. In addition, MSP and PR values were calculated by using the SRIM code. In fact, each obtained parameter provides us very important information on radiation protection, and these methods are frequently used in the literature. ISG-A00N glasses were observed to have the highest attenuation coefficient. Thus, the MAC value gradually decreased as the Al, Na and Si contents increased. Likewise, the HVL, TVL and MFP values changed coherent with this. Moreover, Z eff and N eff values were seen in the ISG-A00N sample to take the maximum values to each other inversely. The most effective glass sample was seen as ISG-A00N glass at the mean free path penetration power of MSP and PR values. When all the results were evaluated, ISG-A00N glass which has the highest Si and Ca contents and density was found to be the glass with the best radiation shielding feature. It is also noteworthy that this glass does not contain any Al component. As the results of the investigation, it was found out that a very small doped of the Si increases the radiation shielding feature on the glass. It was seen that the ISG-A23N had the lowest ∑R value. The obtained results revealed that the ISG-A00N>ISG-A00>ISG-C>ISG-A12>ISG-A11N>ISG-A22>ISG-A18N>ISG-A23N samples, in ascending order that attenuators for low energy radiations.

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Deciphering the non-linear impact of Al on chemical durability of silicate glass

2022

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Effects of Al:Si and (Al + Na):Si ratios on the properties of the international simple glass, part I: Physical properties

Cited by 17 publications

References 94 publications

Effects of Al:Si and (Al + Na):Si ratios on the properties of the international simple glass, part II: Structure

Effects of Al:Si and (Al + Na):Si ratios on the properties of the international simple glass, part II: Structure

An investigation into gamma radiation shielding parameters of the (Al:Si) and (Al+Na):Si-doped international simple glasses (ISG) used in nuclear waste management, deploying Phy-X/PSD and SRIM software

Deciphering the non-linear impact of Al on chemical durability of silicate glass

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