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DOE OSTI2018

Impacts of Process and Prediction Uncertainties on Projected Hanford Waste Glass Amount

Analyses were performed to evaluate the impacts of using the advanced glass models, constraints (Vienna et al. 2016), and uncertainty descriptions on projected Hanford glass mass. The maximum allowable WOL was estimated for waste compositions while simultaneously satisfying all applicable glass property and composition constraints with sufficient confidence. Different components of prediction and composition/process uncertainties were systematically included in the calculations to evaluate their impacts on glass mass. The analyses estimated the production of 23,360 MT of IHLW glass when no uncertainties were taken into accound. Accounting for prediction and composition/process uncertainties resulted in 5.01 relative percent increase in estimated glass mass 24,531 MT. Roughly equal impacts were found for prediction uncertainties (2.58 RPD) and composition/process uncertainties (2.43 RPD). ILAW mass was predicted to be 282,350 MT without uncertainty and with weaste loading “line” rules in place. Accounting for prediction and composition/process uncertainties resulted in only 0.08 relative percent increase in estimated glass mass of 282,562 MTG. Without application of line rules the glass mass decreases by 10.6 relative percent (252,490 MT) for the case with no uncertainties. Addition of prediction uncertainties increases glass mass by 1.32 relative percent and the addition of composition/process uncertainties increase glass mass by an additional 7.73 relative percent (9.06 relative percent increase combined). The glass mass estimate without line rules (275,359 MT) was 2.55 relative percent lower than that with the line rules (282,562 MT), after accounting for all applicable uncertainties.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2018

Impacts of Process and Prediction Uncertainties on Projected Hanford Waste Glass Amount

Analyses were performed to evaluate the impacts of using the advanced glass models, constraints (Vienna et al. 2016), and uncertainty descriptions on projected Hanford glass mass. The maximum allowable waste oxide loading (WOL) was estimated for waste compositions while simultaneously satisfying all applicable glass property and composition constraints with sufficient confidence. Different components of prediction and composition/process uncertainties were systematically included in the calculations to evaluate their impacts on glass mass. The analyses estimated the production of 23,360 MT of immobilized high-level waste (IHLW) glass when no uncertainties were taken into account. Accounting for prediction and composition/process uncertainties resulted in 5.01 relative percent increase in estimated glass mass of 24,531 MT. Roughly equal impacts were found for prediction uncertainties (2.58 RPD) and composition/process uncertainties (2.43 RPD). The immobilized low-activity waste (ILAW) mass was predicted to be 282,350 MT without uncertainty and with waste loading “line” rules in place. Accounting for prediction and composition/process uncertainties resulted in only 0.08 relative percent increase in estimated glass mass of 282,562 MT. Without application of line rules the glass mass decreases by 10.6 relative percent (252,490 MT) for the case with no uncertainties. Addition of prediction uncertainties increases glass mass by 1.32 relative percent and the addition of composition/process uncertainties increase glass mass by an additional 7.73 relative percent (9.06 relative percent increase combined). The glass mass estimate without line rules (275,359 MT) was 2.55 relative percent lower than that with the line rules (282,562 MT), after accounting for all applicable uncertainties

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2019

In-House Alternative for Chemical Analyses of Rhenium and Sulfur in Glass

Accurate measurements of rhenium (Re) and sulfur (S) concentrations in solid samples are of critical importance for the key research activities at the Pacific Northwest National Laboratory (PNNL) Waste Form Development Laboratory (WFDL) related to Re behavior during waste glass melting process and solubility of S in glass. Southwest Research Institute (SwRI) has provided reliable services for chemical analysis needs at WFDL; however, its long turnaround time, occasionally up to 5 months, has caused some difficulties. An in-house method was developed for dissolving and fusing glass and feed samples in preparation for analyses by inductively coupled plasma-optical emission spectrometry and -mass spectrometry at a PNNL facility. Using a previously developed sodium hydroxide fusion method as a basis, four groups of samples from Hanford waste glass research were digested and fused at WFDL. The samples included 1) Enhanced low-activity waste glass correlation phase 2/3 melter glasses from the Vitreous State Laboratory at the Catholic University of America, 2) AN-102 dried feeds and glasses, 3) SS-AN-102 dried feeds and glasses, and 4) Integrated Research Project S solubility study glasses. We evaluated three different sets of solution preparation and analysis combinations, which included 1) a WFDL-prepared solution analyzed at SwRI, 2) a PNNLprepared solution analyzed at a laboratory in the Building-331at PNNL, and 3) an SwRIprepared solution analyzed at SwRI. We concluded that the PNNL in-house Re results can be used in parallel with the SwRI data based on the relative standard deviation values less than 6% from three different sets of solution preparation and analysis for all three groups of rhenium-containing samples tested. However, it was proposed that the in-house S data be used for the barium oxide-free glasses only because of the issue of barium sulfate precipitation in digestion/fusion solutions prepared from glasses containing barium oxide. In addition, higher analytical biases between the PNNL and SwRI S results are expected compared to the Re results, based on the relative standard deviation values of less than 10% from three different sets of solution preparation and analysis for two groups of S-containing samples.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

Enhanced Hanford Low-Activity Waste Glass Property Data Development: Phase 2

The U.S. Department of Energy’s (DOE) Office of River Protection (ORP) requested Pacific Northwest National Laboratory (PNNL) to support the River Protection Project vitrification in an effort to support operations upon completion of startup activities (DOE 2012). This work was performed under the PNNL project titled “ORP Glass Support Work.” One task of this project—Enhanced Hanford Waste Glass Models—is the subject of this report. A previous task focused on generating property-composition data and models for the Hanford site low-activity waste (LAW) glasses with lower waste loadings, which are relevant to the commissioning of the LAW vitrification facility. The current task has the long-term objective of expanding the Hanford site LAW glass database and property composition models for the balance of the Hanford site tank waste treatment and immobilization mission. During the balance of the mission, LAW glasses with higher waste loadings will be produced. This report presents the glass compositions and glass property data developed in Phase 2 of the enhanced Hanford LAW glass property data development effort. When this effort is complete, enhanced LAW glass property models will be developed. Section 1.1 summarizes the status of the LAW glass composition regions and waste loading constraints prior to the data development effort documented in this report. Section 1.2 summarizes the LAW Phase 2 glass composition region and test matrix. Section 1.3 documents the quality assurance program used in performing the work discussed in this report.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2018

Impacts of Process and Prediction Uncertainties on Projected Hanford Waste Glass Amount

Analyses were performed to evaluate the impacts of using the advanced glass models, constraints, and uncertainty descriptions on projected Hanford glass mass. The maximum allowable WOL was estimated for waste compositions while simultaneously satisfying all applicable glass property and composition constraints with sufficient confidence. Different components of prediction and composition/process uncertainties were systematically included in the calculations to evaluate their impacts on glass mass. The analyses estimated the production of 23,360 MT of IHLW glass when no uncertainties were taken into account. Accounting for prediction and composition/process uncertainties resulted in 5.01 relative percent increase in estimated glass mass 24,531 MT. Roughly equal impacts were found for prediction uncertainties (2.58 RPD) and composition/process uncertainties (2.43 RPD). ILAW mass was predicted to be 282,350 MT without uncertainty and with waste loading “line” rules in place. Accounting for prediction and composition/process uncertainties resulted in only 0.08 relative percent increase in estimated glass mass of 282,562 MTG. Without application of line rules the glass mass decreases by 10.6 relative percent (252,490 MT) for the case with no uncertainties. Addition of prediction uncertainties increases glass mass by 1.32 relative percent and the addition of composition/process uncertainties increase glass mass by an additional 7.73 relative percent (9.06 relative percent increase combined). The glass mass estimate without line rules (275,359 MT) was 2.55 relative percent lower than that with the line rules (282,562 MT), after accounting for all applicable uncertainties.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

Development of Property Composition Models For RPP-WTP LAW Glasses (Final Report)

This report describes the development of property-composition models for low-activity waste (LAW) glasses for the River Protection Project Waste Treatment Plant (RPP-WTP) at the Hanford site. The RPP-WTP will separate Hanford tank wastes into LAW and high-level waste (HLW) streams and each stream will be vitrified separately. The development of LAW and HLW glass formulations for the RPP-WTP has been reported previously and is an ongoing activity. Acceptable formulations must meet a variety of processability, product quality, and waste loading requirements that are dictated either by the RPP-WTP contract or by the characteristics of the particular treatment processes that have been selected. These requirements amount to constraints on the acceptable ranges of certain glass properties. These properties are determined first and foremost by the composition of the glass or glass melt. Thus, while there is no direct way of controlling the glass properties of interest during production, there are simple and extremely effective methods of achieving the same result by instead controlling the glass composition. This basic principle is no different from that used to produce enormous volumes of commercial glass to meet exacting product specifications. An essential difference in waste vitrification, however, is that one of the raw materials (the waste itself) can be subject to considerable compositional uncertainty and variability. Thus, waste vitrification facilities and associated process control systems (of which, the operating envelope in glass formulation space is a key part) must, of course, be designed to be robust with respect to such variations. The determination of quantitative relationships between the glass properties that must be controlled and the glass composition can play an important role in the development of such facilities.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

Regulatory Testing of RPP-WTP HLW Glasses to Support Delisting Compliance, VSL-04R4780-1, Rev. 0 (Sep 2004)

The primary goal of the testing described in this report was to collect data to demonstrate compliance of the immobilized high-level waste (IHLW) glasses with delisting requirements. The collected data will be used to support a petition to delist the IHLW glasses destined for the national disposal facility. The Delisting Data Quality Objectives (DQO) (Cook and Blumenkranz 2003) identified a list of (16) inorganic constituents of potential concern (COPCs) and their associated limits for delisting. These COPCs can be divided into three groups, Cases 1, 2, and 3, based on their Toxicity Characteristic Leaching Procedure (TCLP) responses versus their respective delisting limits. To briefly summarize, Case 1 COPCs are those that, when loaded at their highest expected concentration in Waste Treatment Plant (WTP) glasses, are not expected to leach at their respective delisting limits when the glasses are exposed to the TCLP. Case 2 COPCs may reach the delisting limits in TCLP leachates of WTP glasses if loaded to concentrations near their maximum expected concentrations in glass. Finally, Case 3 COPCs are components that are likely to be present in concentrations sufficient to exceed their respective delisting limits in TCLP leachates of some possible glasses. The test objective was to show that, for (i) the expected range of inorganic contents in the waste feed to the Hanford WTP high level waste (HLW) vitrification facility, (ii) the expected range of glass product compositions, and (iii) the Case 1 and Case 2 COPCs identified by the DQO, the IHLW glasses meet all the relevant requirements for delisting. For Case 3 COPCs (i.e., Cd), the testing was to demonstrate the relationship between glass composition and TCLP cadmium (Cd) release, and then employ the results to develop TCLP-composition response models. During WTP operations, TCLP-composition models can be used to predict, within the required statistical uncertainties, TCLP responses of IHLW production glasses that are within the compositional region used to develop the model.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1982

Coordination chemistry of iron in glasses contributing to remote-sensed spectra of the moon

Ferric iron and tetrahedrally coordinated Fe(2+) ions are identified using Moessbauer and electronic absorption spectroscopic measurements of synthetic glasses equilibrated at P(O2) less than 10 to the -11 atm, simulating the Luna 24 brown glass and Apollo 15 green glass compositions. The presence of 10-20% ferric iron in these low Ti glasses is a result of the absence of Ti(3+) ions. In the brown glass absorption spectra, tetrahedral Fe(3+) and Fe(2+) ions induce an extension of the oxygen-metal charge transfer band into the visible region further than in the green glass containing predominantly octahedral Fe(2+) and Fe(3+) ions. Whereas the glass one-micron band originates from crystal field transitions in octahedral Fe(2+), the glass two-micron band is now positively correlated with tetrahedral Fe(2+) rather than with Fe(2+) ions in pyroxene M2-like sites in the glass structure. The tetrahedral Fe(2+) do not, however, substitute for Si(4+) in glass network-forming sites, instead occurring as network modifiers in larger tetrahedral interstices. The effect of temperature is to induce a pronounced red-shift of the oxygen-iron charge transfer absorption edge, especially for the brown glass, and to intensify significantly the tetrahedral Fe(2+) crystal field two micron band.

Dyar, M. D.↗

NASA NTRS2002

Development of Chemically and Thermally Robust Lithium Fast Ion Conducting Chalcogenide Glasses

In this project, a new research thrust into the development of an entirely new class of FIC glasses has begun that may lead to a new set of optimized thin-film lithium ion conducting materials. New chemically robust FIC glasses are being prepared that are expected to exhibit unusually high chemical and electrochemical stability. New thermally robust FIC glasses are being prepared that exhibit softening points in excess of 500 C which will dramatically expand the usable operating temperature range of batteries, fuel-cells, and sensors using such electrolytes. Glasses are being explored in the general compositional series xLi2S+ yGa2S3 + (1-x-y)GeS2. Li2S is added as the source of the conductive lithium ions. GeS2 is the base glass-forming phase and the trivalent sulfides, Ga2S3, is added to increase the "refractoniness" of the glass, that is to significantly increase the softening point of the glass as well as its chemical stability. By optimizing the composition of the glass, new glasses and glass-ceramic FIC materials have been prepared with softening points in excess of 500 C and conductivities above 10(exp -3)/Ohm cm at room temperature. These latter attributes are currently not available in any FIC glasses to date.

Martin, Steve W.↗

NASA NTRS2012

Composite Laminate With Coefficient of Thermal Expansion Matching D263 Glass

The International X-ray Observatory project seeks to make an X-ray telescope assembly with 14,000 flexible glass segments. The glass used is commercially available SCHOTT D263 glass. Thermal expansion causes the mirror to distort out of alignment. A housing material is needed that has a matching coefficient of thermal expansion (CTE) so that when temperatures change in the X-ray mirror assembly, the glass and housing pieces expand equally, thus reducing or eliminating distortion. Desirable characteristics of this material include a high stiffness/weight ratio, and low density. Some metal alloys show promise in matching the CTE of D263 glass, but their density is high compared to aluminum, and their stiffness/weight ratio is not favorable. A laminate made from carbon fiber reinforced plastic (CFRP) should provide more favorable characteristics, but there has not been any made with the CTE matching D263 Glass. It is common to create CFRP laminates of various CTEs by stacking layers of prepreg material at various angles. However, the CTE of D263 glass is 6.3 ppm/ C at 20 C, which is quite high, and actually unachievable solely with carbon fiber and resin. A composite laminate has been developed that has a coefficient of thermal expansion identical to that of SCHOTT D263 glass. The laminate is made of a combination of T300 carbon fiber, Eglass, and RS3C resin. The laminate has 50% uni-T300 plies and 50% uni-E-glass plies, with each fiber-layer type laid up in a quasi-isotropic laminate for a total of 16 plies. The fiber volume (percent of fiber compared to the resin) controls the CTE to a great extent. Tests have confirmed that a fiber volume around 48% gives a CTE of 6.3 ppm/ C. This is a fairly simple composite laminate, following well established industry procedures. The unique feature of this laminate is a somewhat unusual combination of carbon fiber with E-glass (fiberglass). The advantage is that the resulting CTE comes out to 6.3 ppm/ C at 20 C, which matches D263 glass. The trick with this laminate is to establish the proper fiber volume to get the desired CTE. Laminates were made with several different fiber volumes and coupons were tested to establish the relationship between fiber volume and CTE. Testing proved that fiber volume should be about 48%.

Robinson, David↗

NASA NTRS2015

Gusev-Meridiani-Type Soil Component Dissolved in Some Shock Glasses in Shergottites

Modal analysis, based on APXS, MiniTES and Mossbauer results obtained at Gusev and Meridiani sites on Mars, indicates that Martian soils consist predominantly of igneous minerals such as olivine, pyroxene and feldspar (approximately70 - 80%), with the balance consisting of alteration minerals such as sulfates, silica and chlorides]. These studies also showed that soil alteration did not occur in-situ and igneous and alteration components are derived from different sources. Below, we analyse the chemical abundance data obtained from shock glasses in shergottites using mass balance mixing models. In these models, the two main end members used are (a) host rock chemical composition and (b) the GM soils average composition as the second component. Here, we consider the S-bearing phases as indicators of added alteration phases in the shock glasses and GM soils. Although the S-bearing phase in shock glasses occurs as micron sized sulfide blebs, we showed in earlier abstracts that sulfur was originally present as sulfate in impact glass-precursor materials and was subsequently reduced to sulfide during shock melting. This conclusion is based on results obtained from S-K XANES studies, Fe/S atomic ratios in sulfide blebs and 34S/32S isotopic measurements in these sulfide blebs. Additionally, sulfur in several EET79001 Lith. A glasses is found to correlate positively with Al2O3 and CaO (and negatively with FeO and MgO), suggesting the presence of Al- and Ca- sul-fate-bearing phases. The distribution of the 87Sr/86Sr iso-topic ratios determined in Lith. A glasses (,27 &,188 and,54) indicate that Martian soil gypsum and host rock material were mixed with each other in the glass precursors. In some vugs in Lith A glass,27 detected gypsum laths. Furthermore, the Martian regolith-de-rived component (where sulfur typically occurs as sul-fate) is identified in these glasses by determining neutron produced isotopic excesses/deficits in 80Kr and 149Sm isotopes. Moreover, the suggestion that the large amount of sulfur found in,507 was sourced from pyrrhotite in the host rock, would require that excessive quantities of host rock would need to be stripped of sulfur to make this sulfide-rich glass. These results provide ample evidence that S occurred as sulfate and was added to glass precursor materials prior to impact shock.

Ross, D. K.↗

DOE OSTI2013

Solid oxide fuel cell having a glass composite seal

A solid oxide fuel cell stack having a plurality of cassettes and a glass composite seal disposed between the sealing surfaces of adjacent cassettes, thereby joining the cassettes and providing a hermetic seal therebetween. The glass composite seal includes an alkaline earth aluminosilicate (AEAS) glass disposed about a viscous glass such that the AEAS glass retains the viscous glass in a predetermined position between the first and second sealing surfaces. The AEAS glass provides geometric stability to the glass composite seal to maintain the proper distance between the adjacent cassettes while the viscous glass provides for a compliant and self-healing seal. The glass composite seal may include fibers, powders, and/or beads of zirconium oxide, aluminum oxide, yttria-stabilized zirconia (YSZ), or mixtures thereof, to enhance the desirable properties of the glass composite seal.

25 ENERGY STORAGE↗

DOE OSTI2024

PRODUCTION OF GLASS-TO-METAL SEALS USING ADDITIVE MANUFACTURING TECHNIQUES

Glass-to-metal (GtM) seals are hermetic barriers between glass and metal components, often used in the electronic and vacuum industries. Creating the seals traditionally requires heating all the components to the glass melting temperature, where the glass will flow and bond to the metal. Due to the manufacturing constraints of the individual components and sealing conditions there are geometric and material restrictions. Additive manufacturing techniques were used to make GtM seals to reduce these restrictions. Hermetic, single pin seals were produced using printed metal shells, by selective laser melting (SLM), and digital light processing (DLP) printed glass preforms. Glass preforms were printed with photosensitive resin mixed with a silicate sealing glass powder in a 1:2 weight ratio. Thermal analysis, TGA/DSC, and screening experiments were used to determine an organic removal schedule. Video techniques determined a sintering schedule by producing a densification curve at different isothermal holds which were fit with a viscous sintering model. Single pin seals were also produced use a laser assisted manufacturing (LAM) process as an alternative to the conventional furnace sealing process. A Nd:YAG laser was focused on a solid glass preform, heating the glass to form the glass-metal bond. The sealing glass was doped with a transition metal oxide, Fe2O3 or CuO, to increase absorption of the laser wavelength. The interface of hermetic LAM seals were analyzed using electron microscopy, compared to conventional prepared seals, finding a reduction of interfacial morphologies.

Read, Aaron Reece↗

DOE OSTI2022

Effect of iron redox ratio on the structures of boroaluminosilicate glasses

Iron oxide is commonly found in natural or industrial glass compositions and can exist as ferrous (Fe 2+ ) or ferric (Fe 3+ ) species, with their ratios depending on glass composition, temperature, pressure and the redox reactions during the glass forming process. The iron redox ratio plays an important role on silicate glass structures and consequently various properties. This work aims to study the effect of iron oxide, and particularly the iron redox ratio, on the structures of borosilicate and boroaluminosilicate glasses using molecular dynamics simulations with newly developed iron potential parameters that are compatible with the borosilicate potentials. The results provide detailed cation coordination states of both iron species and the effect of redox ratio on boron coordination and other structural features. Particularly, competition for charge compensating modifier cations (such as Na + ) among the fourfold-coordinated cations such as B 3+ , Al 3+ , and Fe 3+ is investigated by calculating the cation–cation pair distribution functions and coordination preferential ratios. The results show that the trivalent ferric ions, with a shorter Fe–O bond distance and better defined first coordiation shell with mainly four-fold coordination, act as a glass former whereas the divalent ferrous ions mainly play the role of glass modifier. The ferrous/ferric ratio (Fe 2+ /Fe 3+ ) was found to affect the glass chemistry and hence glass properties by regulating the amount of four-coordinated boron, the fraction of non-briding oxygen and other features. Finally, the results are compared with available experimental data to gain insights of the complex structures and charge compensation schemes of the glass system.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Chromium and Vanadium Incorporation in Sulfate-Containing Sodium Aluminoborosilicate Glass

In the composition space for Hanford low-activity nuclear waste glass, the waste loading of some formulations is limited by poor incorporation of sulfate. In particular, certain elements identified in previous studies tend to raise or lower sulfate solubility in borosilicate glass. The aim of the current study is to understand how vanadium and chromium each affect a sulfate-containing sodium aluminoborosilicate glass structure. Glass transition temperature, mass density, visible absorption, and Raman scattering were measured to investigate changes in the glass structure. Both Cr6+ (CrO42-) and Cr3+ were found in the chromium-containing glasses while vanadium primarily existed in the 5+ oxidation state in the vanadium-containing glasses. Electron probe microanalysis determined elemental compositions to assess retention of components. Increasing Cr2O3 caused saturation of Cr concentration within the glass and formation of crystalline eskolaite (Cr2O3). On the other hand, all the targeted V was incorporated into the glass. A fraction of batched S was not incorporated in any glass, presumably due to volatilization during melting. Apparently, the details of incorporation of Cr, and to an extent V, are different depending on whether sulfur is added as in this study or in oversaturated conditions as described in the literature, where Cr partitions to a sulfate-containing salt phase.

Borosilicate glass, Waste Glass, vanadium chemistr↗

DOE OSTI2021

In Situ Scattering Studies of Crystallization Kinetics in a Phase-Separated Zr–Cu–Fe–Al Bulk Metallic Glass

In this work, thermal stability and the crystallization kinetics of a phase-separated Zr-Cu-Fe-Al bulk metallic glass were investigated using in situ high-energy synchrotron X-ray and neutron diffraction, as well as small-angle synchrotron X-ray scattering. It was revealed that this glass with excellent glass-forming ability possesses a two-step crystallization behavior. The crystalline products and their evolution sequence are more complicated than a homogeneous Zr-Cu-Al glass with average glass-forming ability. The experimental results indicate that a finely distributed nanometer-sized cubic Zr 2 Cu phase forms first and then transforms to a tetragonal Zr 2 Cu phase, while the matrix transforms to an orthorhombic Zr3Fe phase. The strength of the Zr-Cu-Fe-Al composite containing cubic Zr 2 Cu phase and glass matrix increases, and the plasticity also improves compared to the as-cast Zr-Cu-Fe-Al bulk metallic glass. Our results suggest that the formation of multiple and complex crystalline products would be the characteristics of the Zr-Cu-Fe-Al glass with better glass-forming ability. Our study may shed light on the synthesis of bulk-sized glass-nanocrystals composites of high strength and good plasticity.

36 MATERIALS SCIENCE↗

DOE OSTI2011

Monte Carlo Simulations of the Dissolution of Borosilicate and Aluminoborosilicate Glasses in Dilute Aqueous Solutions

The aim of this study was to provide atomic-level insights into the dissolution behavior of borosilicate and aluminoborosilicate glasses to complement and help interpret previous experimental work on the NeB glass series studied by Pierce et al. [Pierce E. M., Reed L. R., Shaw W. J., McGrail B. P., Icenhower J. P., Windisch C. F., Cordova E. A. and Broady J. (2010) Experimental determination of the effect of the ratio of B/Al on glass dissolution along the nepheline (NaAlSiO4) - Malinkoite (NaBSiO4) join. Geochim. Cosmochim. Acta 74, 2634-2654]. The composition of these glasses was 50 mol% SiO2 - 25 mol% Na2O - (25-x) mol% Al2O3 - x mol% B2O3, with x varying from 0 to 20 mol%. In the first part of this work, the different structural features of these glasses (e.g., presence of non-bridging oxygens, partition of boron between trigonal and tetrahedral bonding environments, and formation of boroxol rings), identified in the study of Pierce et al., were implemented in the Monte Carlo program. Their effects on the dissolution of borosilicate and aluminosilicate glasses were then evaluated individually and led to the following conclusions. (1) The dependence of the dissolution rate on the amount of non-bridging oxygens was found to be linear at all Si/B ratios and the accelerating effect of non-bridging oxygens was shown to increase with increasing Si/B ratio. (2) The formation of boroxol rings and of clusters of boroxol rings resulted in an increase of the dissolution rate at all Si/B ratios and, again, the extent of the rate increase was strongly dependent on the Si/B ratio. (3) For aluminosilicate glasses, the implementation of the aluminum avoidance rule was found to increase the rate of dissolution relative to that obtained for a random distribution. In the second part of this work, Monte Carlo simulations were performed to model the dissolution of the NeB glasses in dilute conditions. One of the conclusions that emerged from the study of Pierce et al. was that either the rupture of the Al-O bonds or that of the Si-O bonds was the rate-limiting step controlling the dissolution of the NeB glasses. The Monte Carlo simulations carried out in this work enabled us to refine this conclusion. Indeed, the simulations showed that, at low B/Al ratios, the rupture of both Al-O-Si and Si-O-Si linkages contributed to the dissolution rate whereas, at high B/Al ratios, the dissolution rate was independent of the rupture of Al-O-Si linkages and was controlled by S1 sites (silicon sites at the glass-water interface with one bond to nearest-neighbor sites) and dissolution via detachment of clusters.

aluminosilicates↗

DOE OSTI2012

Feasibility Study of Glass Dosimeter for In Vivo Measurement: Dosimetric Characterization and Clinical Application in Proton Beams

Purpose: To evaluate the suitability of the GD-301 glass dosimeter for in vivo dose verification in proton therapy. Methods and Materials: The glass dosimeter was analyzed for its dosimetrics characteristic in proton beam. Dosimeters were calibrated in a water phantom using a stairlike holder specially designed for this study. To determine the accuracy of the glass dosimeter in proton dose measurements, we compared the glass dosimeter and thermoluminescent dosimeter (TLD) dose measurements using a cylindrical phantom. We investigated the feasibility of the glass dosimeter for the measurement of dose distributions near the superficial region for proton therapy plans with a varying separation between the target volume and the surface of 6 patients. Results and Discussion: Uniformity was within 1.5%. The dose-response has good linearity. Dose-rate, fading, and energy dependence were found to be within 3%. The beam profile measured using the glass dosimeter was in good agreement with the profile obtained from the ionization chamber. Depth-dose distributions in nonmodulated and modulated proton beams obtained with the glass dosimeter were estimated to be within 3%, which was lower than those with the ionization chamber. In the phantom study, the difference of isocenter dose between the delivery dose calculated by the treatment planning system and that measured by the glass dosimeter was within 5%. With in vivo dosimetry, the calculated surface doses overestimated measurements by 4%-16% using glass dosimeter and TLD. Conclusion: It is recommended that bolus be added for these clinical cases. We also believe that the glass dosimeter has considerable potential for use with in vivo patient proton dosimetry.

62 RADIOLOGY AND NUCLEAR MEDICINE↗