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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Electronic structures of GeSi nanoislands grown on pit-patterned Si(001) substrate

Patterning pit on Si(001) substrate prior to Ge deposition is an important approach to achieve GeSi nanoislands with high ordering and size uniformity. In present work, the electronic structures of realistic uncapped pyramid, dome, barn and cupola nanoislands grown in (105) pits are systematically investigated by solving Schrödinger equation for heavy-hole, which resorts to inhomogeneous strain distribution and nonlinear composition-dependent band parameters. Uniform, partitioned and equilibrium composition profile (CP) in nanoisland and inverted pyramid structure are simulated separately. We demonstrate the huge impact of composition profile on localization of heavy-hole: wave function of ground state is confined near pit facets for uniform CP, at bottom of nanoisland for partitioned CP and at top of nanoisland for equilibrium CP. Moreover, such localization is gradually compromised by the size effect as pit filling ratio or pit size decreases. The results pave the fundamental guideline of designing nanoislands on pit-patterned substrates for desired applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Autonomous alloy composition optimization using molecular dynamics guided by a large language model

Here, we present an autonomous materials discovery framework that couples a large language model (LLM) with molecular dynamics (MD) simulations to optimize Fe–Cr–Mn alloy compositions for tensile strength. Starting from six distinct compositions, the LLM operated as an intelligent agent, iteratively proposing changes based on prior simulation results and constraints. Over 50 iterations per case, the LLM adaptively explored the composition space, identifying high-strength regions, not easily accessible by conventional methods. The highest strength, 18.7 GPa, was achieved with Fe 71 Cr 25 Mn 4 composition, identified from a Fe 75 Cr 20 Mn 5 starting point. The LLM autonomously adjusted its strategy in real time, demonstrating closed-loop decision-making using commodity hardware. This approach showcases the potential of LLMs as scientific co-pilots, capable of accelerating materials discovery and generalizable to other domains like biology and drug design.

Autonomy↗
DOE OSTI2024

High-Entropy Alloy R&D for Accelerator Beam Window Applications

High-Entropy Alloys are a class of novel material that can offer improved resistance to beam-induced radiation damage and thermal shock. Development of these new alloys to serve as beam windows in multi-megawatt accelerator target applications is ongoing at Fermilab. Currently we are investigating AlCoCrMnTiV alloy systems of 4-6 components for service as beam windows; these compositions are predicted by CALPHAD simulation to have a low density and single-phase BCC crystal structure. The microstructures of these systems are being studied by electron microscopy techniques such as energy dispersive X-ray spectroscopy (EDS) to determine elemental homogeneity and composition, electron backscatter diffraction (EBSD) to quantify grain structure and orientation, and transmission electron microscopy (TEM) to observe defect structures and precipitate formation; nanoindentation is used to probe microstructural mechanical properties. Initial bulk property characterization utilizes differential scanning calorimetry to quantify specific heat capacity (cp), dilatometry to determine the coefficient of thermal expansion (CTE), and time-domain thermoreflectance (TDTR) to measure thermal conductivity (K). A miniature tensile testing apparatus is also being developed to test tensile properties. Post-irradiation examination is currently ongoing for several of these compositions that have been irradiated by low-energy ions to damage levels and at a temperature relevant to beam window applications at future next-generation accelerator facilities. This talk will briefly describe the alloy design and synthesis before going into more depth covering microstructural pre-characterization, and post-irradiation examination results from low-energy ion irradiated specimens. This will be followed by the plans for alloy down selection and future prototypic proton irradiations.

43 PARTICLE ACCELERATORS↗
DOE OSTI2015

Physical Uncertainty Bounds (PUB)

This paper introduces and motivates the need for a new methodology for determining upper bounds on the uncertainties in simulations of engineered systems due to limited fidelity in the composite continuum-level physics models needed to simulate the systems. We show that traditional uncertainty quantification methods provide, at best, a lower bound on this uncertainty. We propose to obtain bounds on the simulation uncertainties by first determining bounds on the physical quantities or processes relevant to system performance. By bounding these physics processes, as opposed to carrying out statistical analyses of the parameter sets of specific physics models or simply switching out the available physics models, one can obtain upper bounds on the uncertainties in simulated quantities of interest.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A New Estimator to Correct for Bias from Tag Rate Expansion on Natural-Origin Fish Attributes in Mixed-Stock Analysis Using Parentage-Based Tagging

Abstract In fisheries where hatchery- and natural-origin conspecifics occur as mixed stocks, it is often important to estimate both the natural-origin proportion of the mixture and the composition of attributes within the natural-origin portion (e.g., genetic stock, sex, and age-class). These estimates are facilitated by parentage-based tagging, which allows large numbers of hatchery fish to be efficiently tagged and later identified. When tag rates are less than 100%, the untagged fish in the mixture include both untagged hatchery fish and natural-origin fish. Unbiased estimation of the abundance and attribute composition of the natural-origin portion requires an estimator that accounts for tag rates. Two estimators are described: one “accounting-style” estimator similar to previously described approaches and one maximum likelihood method. These estimators were evaluated and compared using simulations mimicking estimation of the composition of fish migrating past a dam. The two estimators performed similarly at reducing bias when tag rates were high, but the maximum likelihood method had smaller mean square error when tag rates were low. We provide an R package to allow usage of this estimator in a wide variety of fisheries applications.

Delomas, Thomas A. (ORCID:000000015154759X)↗
DOE OSTI2022

Simulation of SPND Beta-Current in AP1000 core

The Self-Powered Neutron Detectors (SPNDs) are widely used in Generation-III commercial PWR due to its small size and external-power free character. It can measure the in-core neutron flux density immediately to obtain the power profile in the core. To better understand the actual state of the simulated core, a SPND beta-current simulation module has been established in the NECP-Bamboo code. Firstly, neutron simulation is carried out in the lattice code Bamboo-Lattice together with nuclide depletion simulation to obtain the depleted composition of the entire lattice including the SPND, and the few-group parameters including density and cross section of emitter material. Secondly, the depleted lattice can then be piped into a Monte-Carlo code for neutron-photon-electron simulation to obtain the electron escape efficiency from the emitter of the SPND to the corresponding collector. Thirdly, the electron escape efficiency can be parameterized into the function of the lattice state parameters similarly to the common few-group constants. Finally, the beta-current was calculated by the core code Bamboo-Core simultaneously with the simulation of the core operation process. The beta-current of the Vanadium SPND in the AP1000 core was simulated and analyzed in this paper. Comparison between simulation and measurement of the beta-current distribution in the specific core state is shown in this paper to verify the effectiveness of the method and the code. The radial normalized current distribution is in good agreement with the measurement. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Simulations of Glass Transition and Mechanical Behavior of Off-Stoichiometric Crosslinked Polymers

Here, this work explores the influence of blend composition, network architecture, and hydrogen bonding on the material properties of crosslinked epoxy networks, focusing on the glass transition temperature (T g ) and Young’s modulus (Y). We used coarse-grained molecular dynamics simulations to simulate varying compositions of stiff and flexible components in epoxy monomer blends with varying excess of curative. We find that, without hydrogen bonding, networks of any composition show a monotonically increasing T g with decreasing excess curative, consistent with theory. In contrast, we find that when hydrogen bonding is introduced, the binary blend networks show significant enhancement in T g for lightly crosslinked systems. This result contributes to an explanation of the anomalous T g behavior observed experimentally in these systems. We further find that Y is generally enhanced by hydrogen bonds, especially below T g , demonstrating that hydrogen bonding has a significant influence on mechanical properties and can allow access to other desirable dynamic behavior, especially self-healing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

ATS (Advanced Terrestrial Simulator) integrated hydrology and reactive transport model output in Copper Creek, Colorado

This dataset is generated using the ATS (Advanced Terrestrial Simulator) model at Copper Creek, Colorado, the largest catchment in the East River watershed. ATS is an integrated hydrology and reactive transport model to simulate the Concentration-Discharge (C-Q) relationship, and is used to quantify the geochemical export and understand how watersheds respond to climate disturbances. Key hydrogeochemical variables, including discharge, precipitation, evapotranspiration, and geochemical concentrations, were simulated and output at a daily frequency at the Copper Creek outlet. A group of hydrology and geochemical model variables over the spatial domain are output at a bi-monthly frequency. The model used 1-km resolution daily frequency Daymet meteorological forcing, and mineral composition from previous studies. The simulations are performed on NERSC. The datasets include the input files for running the ATS (Advanced Terrestrial Simulator) simulation, including the mesh file, input script and geochemical model files. The output files from the ATS (Advanced Terrestrial Simulator) are the daily time-series discharge and geochemical concentration simulated at the outlet of Copper Creek, and the bi-monthly spatial output over the simulation domain.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Calibration of Car-Following Models Using a Dual Genetic Algorithm with Central Composite Design

We report the calibration of microscopic traffic simulation models has received much attention in the simulation field. Although no standard has been established for it, a genetic algorithm (GA) has been widely employed in recent literature because of its high efficiency to find solutions in such optimization problems. However, the performance still falls short in simulation analyses to support fast decision making. This paper proposes a new calibration procedure using a dual GA and central composite design (CCD) in order to improve the efficiency. The calibration exercise goes through three major sequential steps: (1) experimental design using CCD for a quadratic response surface model (RSM) estimation, (2) 1st GA procedure using the RSM with CCD to find a near-optimal initial population for a next step, and (3) 2nd GA procedure to find a final solution. The proposed method was applied in calibrating the Gipps car-following model with respect to maximizing the likelihood of a spacing distribution between a lead and following vehicle. In order to evaluate the performance of the proposed method, a conventional calibration approach using a single GA was compared under both simulated and real vehicle trajectory data. It was found that the proposed approach enhances the optimization speed by starting to search from an initial population that is closer to the optimum than that of the other approach. This result implies the proposed approach has benefits for a large-scale traffic network simulation analysis. Finally, this method can be extended to other optimization tasks using GA in transportation studies.

42 ENGINEERING↗
DOE OSTI2014

Uncertainty Quantification for Monte Carlo simulations - Paper 18

Uncertainty quantification (UQ) generally speaking refers to a wide variety of specific problems, also pertaining different scientific areas: then studies on Uncertainty Quantification involve many different methodologies, techniques and even terminologies: to be specific we are interested in studying how uncertainties on input physical data needed for Monte Carlo simulations transfer into uncertainties on the physical output of the simulation. We mention that other sources of uncertainty are be present in a simulation environment: they can be ascribed either to model inadequacy (for instance when one neglects atomic lattice at very low energies) or to the numerical procedure involved: for the case of MC simulation the latter corresponds to the statistical error affecting the simulation itself. So in general parameter uncertainties are mixed with other kind of uncertainties. The problem then remains seemingly quite complicated, even in this more specific domain: moreover we should better specify the meaning of the rather undetermined words physical data needed for Monte Carlo simulation. In fact they may refer both those data needed to specify the experimental setup that is going to be simulated - like, e.g., geometrical or composition data, but including also some external conditions applied to the system, like temperature, pressure, electromagnetic fields and so on - and physical data - cross sections or often physical models - required to describe particle transport. All these data are generally affected by uncertainties, which through the process of simulation transfer into uncertainty on its physical outcome. Then, from the MC user's own perspective, input data refers both to those that are under his direct experimental control and to many others, whose values and uncertainties will affect the result of the simulation. In this contribution we will summarize previous results, together with some new ones. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2020

Improving collaborations between empiricists and modelers to advance grassland community dynamics in ecosystem models

Climate change, increasing atmospheric CO 2 , and land use change have altered biogeochemical and hydrologic cycles world-wide, with grassland systems being particularly vulnerable to resulting vegetation shifts (Komatsu et al., 2019). Therefore, incorporating plant community dynamics into ecosystem models is critical for accurate forecasting of ecosystem responses to global change (Levine, 2016). Process-based ecosystem models, which simulate the biogeochemical transfers of mass and energy among biota, the subsurface, and atmosphere, require representation of dynamic composition of organisms within ecosystems. For example, these models simulate leaf and plant-level characteristics, such as electron transport rate and allometry of carbon (C) allocation, to predict how net primary productivity and other ecosystem processes respond to abiotic drivers. These models are particularly useful in scaling from organismal to ecosystem levels but are still underdeveloped in their ability to capture community change, especially in grassland ecosystems. To represent compositional changes, these models must simulate competition, mortality, establishment, and reproduction of plant populations within communities. Yet, current ecosystem modeling approaches to forecast plant community change have derived from studies of forested systems and are either too coarse to capture fine-scale community dynamics (e.g. dynamic global vegetation models (DGVMs)) or too complex to be used at large spatial scales (e.g. forest gap models).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Development and Validation of Numerical Models for Evaluation of Foam-Vacuum Insulation Panel Composite Boards, Including Edge Effects

A combined finite element analysis (FEA) and experimental validation approach to estimating effective edge conductivities of vacuum insulation panels (VIPs) embedded in foam-VIP composites is presented. The edge conductivities were estimated by comparing the simulation results with measurements of small-scale (0.61 × 0.61 m) foam-VIP composites and using an error minimization method. The two composites contained multiple VIPs that were butt-jointed with each other in one composite and separated by foam insulation in the other. Edge conductivities were estimated by considering the neighboring materials, i.e., whether the VIPs were adjacent to other VIPs or foam insulation. Models incorporating the edge conductivities were then used to simulate additional small- and large-scale (2.44 × 1.22 m) composites for validation and evaluation of the overall thermal transmission properties. The simulations used either the same boundary conditions as the experiments or used the experimental parameters to define the appropriate boundary conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Structural role of ZrO 2 and its impact on properties of boroaluminosilicate nuclear waste glasses

Addition of zirconia (ZrO 2 ) to nuclear waste glasses, even in small amount, significantly affects physical properties such as chemical durability, density, viscosity, and glass transition temperature. Hence ZrO 2 plays an important role in the development of nuclear waste glass compositions. It was found recently that addition of zirconia decreases the initial dissolution rate but increases long-term dissolution by changing the protective properties such as porosity of alteration layers. In this study, the International Simple Glass (ISG) with different amounts of ZrO 2 /SiO 2 substitution was simulated using classical molecular dynamics (MD) simulations and recently developed composition-dependent potential sets. Local structural descriptors such as bond distances, bond angle distributions, and coordination numbers were systematically studied and compared with experimental values. Zr K-edge extended X-ray absorption fine structure spectra were also calculated and compared with experiment to resolve the local coordination environment around Zr. Medium-range structural information (e.g., Qn distribution, network connectivity, and ring-size distribution) showed that ZrO 2 /SiO 2 substitution increases the overall network connectivity and the amount of smaller sized rings, which will decrease the initial dissolution rate by strengthening the glass network and limiting water diffusivity. Finally, diffusion and dynamic properties of the ions were studied and discussed to develop a better understanding of the chemical durability of these glasses.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Composition Measurements of the LAW Phase 4 Glasses

In this report, the Savannah River National Laboratory provides results from the analyses of glass compositions for a series of simulated nuclear waste glasses fabricated at the Pacific Northwest National Laboratory. The series included quenched versions of the glasses. The resulting data will be used in the development of enhanced property/composition models for waste vitrification at Hanford. Chemical analyses were performed on a representative sample of each of the quenched glasses to allow for comparisons with the targeted compositions. For the quenched glasses from Set 1, measured concentrations of B 2 O 3 and SiO 2 were generally above the targeted values. Measured concentrations for MgO and P 2 O 5 were generally low for glasses. Measured concentrations of ZrO 2 were both below and above the targeted values for glasses. For the quenched glasses from Set 2, measured concentrations of AL 2 O 3 , B 2 O 3 , P 2 O 5 , SiO 2 , and ZrO 2 were generally below the targeted values. Measured concentrations of Na 2 0 were both below and above the targeted values for glasses. The measured concentrations of chlorine, fluorine, and SO 3 were below the targeted values for most of the study glasses, likely because of volatility during melting. Overall, there were no indications of errors in batching of the simulated waste glasses. These results can be used in further characterization of this series of glasses, including the normalization of Product Consistency Test results.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

CO 2 in Ionene–Ionic Liquid Composite Membranes

Abstract Ionene – ionic liquid (IL) composites are promising materials for CO 2 separation, yet a molecular‐level understanding of their structure and its impact on CO 2 speciation, solubility, rotation, and diffusivity remains unclear. Herein, using multimodal nuclear magnetic resonance (NMR), time‐of‐flight secondary ion mass spectrometry (ToF‐SIMS), atomic force microscopy (AFM), and molecular dynamics (MD) simulations, we reveal that the composites contain IL‐rich domains extending across hundreds of nanometres within the ionene matrix, and these bicontinuous domains span the entire membrane depth. CO 2 also absorbs into the ionene matrix, with the distribution between two CO 2 species varying with temperature and time. The rotational correlation times of these two species are on the timescale of 0.1 and 1 ns, respectively. As IL content increases, the ionic domains expand, resulting in higher CO 2 solubility due to enhanced molecular dynamics and increased free volume in both ionene backbones and IL‐rich regions. Although CO 2 diffusion in the membranes is an order of magnitude slower than in bulk IL, the activation energy for CO 2 diffusion remains comparable. Ionene‐IL composites represent a promising platform for designing CO 2 separation membranes, offering enhanced CO 2 diffusion and selectivity through IL‐rich domains, and increased CO 2 solubility and mechanical integrity from the ionene matrix.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Characterization of Hanford LAW Phase 3 Glasses

This report provides analyses of glass compositions, wash solution compositions, and Product Consistency Test (PCT) leachate compositions for a series of simulated low-activity waste (LAW) glasses fabricated at the Pacific Northwest National Laboratory (PNNL). These data will be used in the development of improved property/composition models for LAW glass at Hanford. Chemical analyses were performed on a representative sample of each of the quenched and sulfur saturated glasses to allow for comparisons with the targeted compositions. For some of the quenched glasses, measured concentrations of Cr 2 O 3 , K 2 O, Na 2 O, P 2 O 5 , and ZrO 2 were below the targeted values. For some of the sulfur saturated glasses, the measured concentrations of Al 2 O 3 , Cl - , Cr 2 O 3 , F - , K 2 O, Na 2 O, P 2 O 5 , V 2 O 5 , and ZrO 2 were generally low relative to the targeted values. A comparison of the measured compositions of the quenched and sulfur saturated versions of the study glasses showed that the measured concentrations of Al 2 O 3 , Cl - , and F - were lower for most of the sulfur saturated glasses. The measured Cr 2 O 3 and K 2 O concentrations were markedly lower for the sulfur saturated versions of the glasses as compared to the quenched versions, which may indicate that these elements partitioned to the soluble sulfur salts. A set of modified glasses was received from PNNL later in this study. Chemical analysis showed that these glasses generally met their targeted compositions with the exception of Cr 2 O 3 concentrations, which were considerably higher than the targeted values. The measured SO 3 concentrations were higher for most of the sulfur saturated glasses relative to those of the quenched versions, as expected. Chemical analysis of the wash solutions that resulted from preparation of the sulfur saturated melts identified Cr, K, Na, P, S, and V as the major elements in solution. With the exception of sulfur, this may explain why the measured concentrations of these components in the study glasses were generally below the targeted values. PNNL performed PCTs on quenched and canister centerline cooled (CCC) versions of the study glasses, as well as the modified glasses. The leachates were sent to SRNL for chemical analysis. Minor scatter in the measured values among the triplicate samples for each glass was noted, with significant differences among the triplicate values noted for four of the CCC glasses. Normalized concentration values for some of the study glasses were greater than the 100 g/L maximum (total dissolution), which may indicate an error in the test. It is recommended that PNNL review their performance of the PCTs to determine the cause of these potential outliers and errors.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Characterization of Hanford LAW Phase 3 Glasses

This report provides analyses of glass compositions, wash solution compositions, and Product Consistency Test (PCT) leachate compositions for a series of simulated low-activity waste (LAW) glasses fabricated at the Pacific Northwest National Laboratory (PNNL). These data will be used in the development of improved property/composition models for LAW glass at Hanford. Chemical analyses were performed on a representative sample of each of the quenched and sulfur saturated glasses to allow for comparisons with the targeted compositions. For some of the quenched glasses, measured concentrations of Cr 2 O 3 , K 2 O, Na 2 O, P 2 O 5 , and ZrO 2 were below the targeted values. For some of the sulfur saturated glasses, the measured concentrations of Al 2 O 3 , Cl - , Cr 2 O 3 , F - , K 2 O, Na 2 O, P 2 O 5 , V 2 O 5 , and ZrO 2 were generally low relative to the targeted values. A comparison of the measured compositions of the quenched and sulfur saturated versions of the study glasses showed that the measured concentrations of Al 2 O 3 , Cl - , and F - were lower for most of the sulfur saturated glasses. The measured Cr 2 O 3 and K 2 O concentrations were markedly lower for the sulfur saturated versions of the glasses as compared to the quenched versions, which may indicate that these elements partitioned to the soluble sulfur salts. A set of modified glasses was received from PNNL later in this study. Chemical analysis showed that these glasses generally met their targeted compositions. The measured SO 3 concentrations were higher for most of the sulfur saturated glasses relative to those of the quenched versions, as expected. Chemical analysis of the wash solutions that resulted from preparation of the sulfur saturated melts identified Cr, K, Na, P, S, and V as the major elements in solution. With the exception of sulfur, this may explain why the measured concentrations of these components in the study glasses were generally below the targeted values. PNNL performed PCTs on quenched and canister centerline cooled (CCC) versions of the study glasses, as well as the modified glasses. The leachates were sent to SRNL for chemical analysis. Minor scatter in the measured values among the triplicate samples for each glass was noted, with significant differences among the triplicate values noted for four of the CCC glasses. Normalized concentration values for some of the study glasses were greater than the 100 g/L maximum (total dissolution), which may indicate an error in the test. It is recommended that PNNL review the performance of the PCTs to determine the cause of these potential outliers and errors. Revision 1 of this report: Corrects an issue with high chromium measurements for the Mod glass compositions and the second set of PCT leachates, Adds data for the Mod glass wash solutions that were unintentionally omitted, Corrects an issue with rounding of the targeted Al 2 O 3 concentrations in the study glasses

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Characterization of Hanford LAW Phase 3 Glasses

This report provides analyses of glass compositions, wash solution compositions, and Product Consistency Test (PCT) leachate compositions for a series of simulated low-activity waste (LAW) glasses fabricated at the Pacific Northwest National Laboratory (PNNL). These data will be used in the development of improved property/composition models for LAW glass at Hanford. Chemical analyses were performed on a representative sample of each of the quenched and sulfur saturated glasses to allow for comparisons with the targeted compositions. For some of the quenched glasses, measured concentrations of Cr₂O₃, K₂O, Na₂O, P₂O₅, and ZrO₂ were below the targeted values. For some of the sulfur saturated glasses, the measured concentrations of Al₂O₃, Cl⁻, Cr₂O₃, F⁻, K₂O, Na₂O, P₂O₅, V₂O₅, and ZrO₂ were generally low relative to the targeted values. A comparison of the measured compositions of the quenched and sulfur saturated versions of the study glasses showed that the measured concentrations of Al₂O₃, Cl⁻, and F⁻ were lower for most of the sulfur saturated glasses. The measured Cr₂O₃ and K₂O concentrations were markedly lower for the sulfur saturated versions of the glasses as compared to the quenched versions, which may indicate that these elements partitioned to the soluble sulfur salts. A set of modified glasses was received from PNNL later in this study. Chemical analysis showed that these glasses generally met their targeted compositions. The measured SO₃ concentrations were higher for most of the sulfur saturated glasses relative to those of the quenched versions, as expected. Chemical analysis of the wash solutions that resulted from preparation of the sulfur saturated melts identified Cr, K, Na, P, S, and V as the major elements in solution. With the exception of sulfur, this may explain why the measured concentrations of these components in the study glasses were generally below the targeted values. PNNL performed PCTs on quenched and canister centerline cooled (CCC) versions of the study glasses, as well as the modified glasses. The leachates were sent to SRNL for chemical analysis. Minor scatter in the measured values among the triplicate samples for each glass was noted. Several of the study glasses, both quenched and CCC, have NCi values that are greater than the immobilized LAW constraint of 4 g/L for B, Na, and Si.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗