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DOE OSTI2020

Approximate Inverse Chain Preconditioner: Iteration Count Case Study for Spectral Support Solvers

As the growing availability of computational power slows, there has been an increasing reliance on algorithmic advances. However, faster algorithms alone will not necessarily bridge the gap in allowing computational scientists to study problems at the edge of scientific discovery in the next several decades. Often, it is necessary to simplify or precondition solvers to accelerate the study of large systems of linear equations commonly seen in a number of scientific fields. Preconditioning a problem to increase efficiency is often seen as the best approach; yet, preconditioners which are fast, smart, and efficient do not always exist. Following the progress of [1], we present a new preconditioner for symmetric diagonally dominant (SDD) systems of linear equations. These systems are common in certain PDEs, network science, and supervised learning among others. Based on spectral support graph theory, this new preconditioner builds off of the work of [2], computing and applying a V-cycle chain of approximate inverse matrices. This preconditioner approach is both algebraic in nature as well as hierarchically-constrained depending on the condition number of the system to be solved. Due to its generation of an Approximate Inverse Chain of matrices, we refer to this as the AIC preconditioner. We further accelerate the AIC preconditioner by utilizing precomputations to simplify setup and multiplications in the con-text of an iterative Krylov-subspace solver. While these iterative solvers can greatly reduce solution time, the number of iterations can grow large quickly in the absence of good preconditioners. Initial results for the AIC preconditioner have shown a very large reduction in iteration counts for SDD systems as compared to standard preconditioners such as Incomplete Cholesky (ICC) and Multigrid (MG). We further show significant reduction in iteration counts against the more advanced Combinatorial Multigrid (CMG) preconditioner. We have further developed no-fill sparsification techniques to ensure that the computational cost of applying the AIC preconditioner does not grow prohibitively large as the depth of the V-cycle grows for systems with larger condition numbers. Our numerical results have shown that these sparsifiers maintain the sparsity structure of our system while also displaying significant reductions in iteration counts.1 2

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Nonlinear Matrix Approximation with Radial Basis Function Components

We introduce and investigate matrix approximation by decomposition into a sum of radial basis function (RBF) components. An RBF component is a generalization of the outer product between a pair of vectors, where an RBF function replaces the scalar multiplication between individual vector elements. Even though the RBF functions are positive definite, the summation across components is not restricted to convex combinations and allows us to compute the decomposition for any real matrix that is not necessarily symmetric or positive definite. We formulate the problem of seeking such a decomposition as an optimization problem with a nonlinear and non-convex loss function. Several modern versions of the gradient descent method, including their scalable stochastic counterparts, are used to solve this problem. We provide extensive empirical evidence of the effectiveness of the RBF decomposition and that of the gradient-based fitting algorithm. While being conceptually motivated by singular value decomposition (SVD), our proposed nonlinear counterpart outperforms SVD by drastically reducing the memory required to approximate a data matrix with the same L2 error for a wide range of matrix types. For example, it leads to 2 to 6 times memory save for Gaussian noise, graph adjacency matrices, and kernel matrices. Moreover, this proximity-based decomposition can offer additional interpretability in applications that involve, e.g., capturing the inner low-dimensional structure of the data, retaining graph connectivity structure, and preserving the acutance of images.

Rebrova, Elizaveta↗

DOE OSTI2021

Structure Perception in 3D Point Clouds: Preprint

Understanding human perception is critical to the design of ef- fective visualizations. The relative benefits of using 2D versus 3D techniques for data visualization is a complex decision space, with varying levels of uncertainty and disagreement in both the liter- ature and in practice. This study aims to add easily reproducible, empirical evidence on the role of depth cues in perceiving structures or patterns in 3D point clouds. We describe a method to synthesize a 3D point cloud that contains a 3D structure, where 2D projec- tions of the data strongly resemble a Gaussian distribution. We performed a within-subjects structure identification study with 128 participants that compared scatterplot matrices (canonical 2D projections) and 3D scatterplots under three types of motion: rota- tion, xy-translation, and z-translation. We found that users could consistently identify three separate hidden structures under ro- tation, while those structures remained hidden in the scatterplot matrices and under translation. This work contributes a set of 3D point clouds that provide definitive examples of 3D patterns per- ceptible in 3D scatterplots under rotation but imperceptible in 2D scatterplots.

data analysis↗

DOE OSTI2022

Fast simultaneous feasibility testing and applications for electrical power grids

Fast simultaneous feasibility testing (SFT) for management of an electrical power grid is achieved through various innovations. The computation problem relates to evaluation of candidate solutions for external power flows into a power grid, with respect to predetermined constraints and contingencies. Storage and computations are reduced by formulating the problem in terms of transactional nodes (e.g. third party connections for generators and loads) instead of the larger number of bus nodes. Further advantages are achieved by precomputing matrices that can be reused across multiple SFT invocations, organizing matrices and operations to reduce storage and computation, and eliminating branches that have no contingency violations. The fast SFT further enables new applications for integrating SFT with a Security-Constrained Unit Commitment (SCUC) optimizer for efficient single pass solutions; operating SFT as a service to multiple SCUC solvers; or integration with Security-Constrained Economic Dispatch (SCED) optimization.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Synthesis and Characterization of Polymeric Pore Former Microspheres using Modified Polymer Resin

Porosity in polymer parts is often desired to improve mechanical properties. Individual pores must be small enough that bulk mechanical properties are retained but significant enough to reduce the density of the material. Filler materials can be incorporated into polymer matrices and subsequently removed to create voids. The materials used to create the voids are known as pore-formers. The present research aims to create spherical pores in a silicone matrix by inserting and removing core materials or fillers post-cure. A method was developed to incorporate pore formers into an uncured polymer resin and remove the materials from the matrix. Polyethylene Glycol (PEG) and Polylactic Acid (PLA) microspheres are created and incorporated into silicone matrices as pore formers. Microspheres with controllable size distributions are formed via ultrasonic spray pyrolysis and emulsion formation. Microspheres are removed from the matrix by solvent extraction and calcination. PLA microspheres were modified by hydroxyl addition to the surface to study their solubility in water. PEG-PLA block copolymers are also synthesized and investigated, comparing their physical and chemical properties to the monomers to identify whether the block copolymer microspheres will be more easily removable than their monomeric microspheres. Moreover, other properties including thermal stability, rheology, and mechanical response are studied. The present dissertation provides a comprehensive understanding of the synthesis and characterization of PEG and PLA-based pore formers, toward the future development of feedstock for additive manufacturing porous structures.

Damptey, Ransford↗

DOE OSTI2021

A Laboratory Assessment and Optimization of Nanoparticle-Stabilized CO2 Foams for Hydraulic Fracturing Applications

In this research, we have conducted a comprehensive assessment and optimization of aqueous CO2 foams for fracturing applications. The performance of CO2 foams is evaluated using three major matrices: foam stability, foam apparent viscosity, and leakoff. The response of these performance matrices to different internal factors and external conditions is evaluated. These factors and conditions include foam quality, nanoparticle concentration, salinity, shear rate, surfactant type and concentration, polymer concentration, and temperature. Before foam generation, the colloidal stability of the nanosilica dispersion is evaluated at different types of electrolytes and under high temperatures. With a good salinity resistance and thermal stability, the nanosilica is then used for the entire set of foam generation experiments. The foam configuration with optimized parameters is used for the leakoff test, which serves as a supplementary section to further demonstrate the advantages of the proposed foam system. Then the final commercialization section provides a general view of what should be considered to commercialize the research results. In general, it is found that the aqueous CO2 foam system has demonstrated a good potential to be used as a fracturing fluid. The design of the foam system needs to consider formations properties and formation fluid properties etc. to realize the optimal performance of the system on a laboratory scale.

02 PETROLEUM↗

DOE OSTI2012

ABWR start-up test analysis using BWR core simulator with three-dimensional direct response matrix method

The ABWR start-up test analysis has been done with the BWR core simulator using the three--dimensional direct response matrix (3D-DRM) method. The Monte Carlo code VMONT made the sub-response matrices for the 3D-DRM method. Each boundary surface was subdivided by 4 x 4 for transverse segments, by 4 for angular segments and by 4 for axial zones in a node. For the calculation speedup, the 3D-DRM code used the divided sub-response matrices data set. The code used the MPI and OpenMP for the parallelized method. The median value is set as the average critical eigenvalues. The changes from the maximum value to the minimum value are 0.34 %{Delta}k with the spectral history method and 0.40 %{Delta}k without it, and the respective standard deviations were 0.12 % and 0.14 %. Using the spectral history method decreased the variation by 0.06 %{Delta}k. The root mean square differences of the axial power distribution were about 6 % between the analysis results and the plant data. Using the currents which converged in the previous exposure step reduced the number of iterations when the CR pattern changed only slightly. The averaged calculation time for each exposure step was about 5 hours on 12 PC Linux cluster servers with Core 2 Quad 3 GHz. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2012

Application of the JENDL-4.0 nuclear data set for uncertainty analysis of the prototype FBR Monju

This paper deals with uncertainty analysis of the Monju reactor using JENDL-4.0 and the ERANOS code 1. In 2010 the Japan Atomic Energy Agency - JAEA - released the JENDL-4.0 nuclear data set. This new evaluation contains improved values of cross-sections and emphasizes accurate covariance matrices. Also in 2010, JAEA restarted the sodium-cooled fast reactor prototype Monju after about 15 years of shutdown. The long shutdown time resulted in a build-up of {sup 241}Am by natural decay from the initially loaded Pu. As well as improved covariance matrices, JENDL-4.0 is announced to contain improved data for minor actinides 2. The choice of Monju reactor as an application of the new evaluation seems then even more relevant. The uncertainty analysis requires the determination of sensitivity coefficients. The well-established ERANOS code was chosen because of its integrated modules that allow users to perform sensitivity and uncertainty analysis. A JENDL-4.0 cross-sections library is not available for ERANOS. Therefor a cross-sections library had to be made from the original ENDF files for the ECCO cell code (part of ERANOS). For confirmation of the newly made library, calculations of a benchmark core were performed. These calculations used the MZA and MZB benchmarks and showed consistent results with other libraries. Calculations for the Monju reactor were performed using hexagonal 3D geometry and PN transport theory. However, the ERANOS sensitivity modules cannot use the resulting fluxes, as these modules require finite differences based fluxes, obtained from RZ SN-transport or 3D diffusion calculations. The corresponding geometrical models have been made and the results verified with Monju restart experimental data 4. Uncertainty analysis was performed using the RZ model. JENDL-4.0 uncertainty analysis showed a significant reduction of the uncertainty related to the fission cross-section of Pu along with an increase of the uncertainty related to the capture cross-section of {sup 238}U compared with the previous JENDL-3.3 version. Covariance data recently added in JENDL-4.0 for {sup 241}Am appears to have a non-negligible contribution. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2013

R and D Programs and Policy within the CEA-AREVA Joint Vitrification Lab (LCV) - 13592

Waste management is a key issue for the reprocessing industry; furthermore, vitrification is considered as the reference for nuclear waste management. In order to further improve and strengthen their historical cooperation in high temperature waste management, the CEA, R and D organization, and AREVA, Industrial Operator, decided, in September 2010, to create a Joint Vitrification Laboratory within the framework of a strategic partnership. The main objectives of the CEA-AREVA Joint Vitrification Laboratory (LCV) are (i) support AREVA's activities, notably in its La Hague plants and for new projects, (ii) strengthen the CEA's lead as a reference laboratory in the field of waste conditioning. The LCV is mandated to provide strong, innovative solutions through the performance of R and D on processes and materials for vitrification, fusion and incineration, for high, intermediate and low level waste. The activities carried out in the LCV include academic research on containment matrices (formulation, long-term behaviour), and the improvement of current technologies/development of new ones in lab-scale to full-scale pilot facilities, in non-radioactive and radioactive conditions, including modelling and experimental tools. This paper focuses on the programs and policy managed within the LCV, as well as the means employed by the CEA and AREVA to meet common short-,mid- and long-term challenges, from a scientific and industrial point of view. Among other things, we discuss the technical support provided for the La Hague vitrification facilities on hot melter and CCIM technologies, the start-up of new processes (decommissioning effluents, UMo FP) with CCIM, the preparation of future processes by means of an assessment of new technologies and containment matrices (improved glasses, ceramics, etc.), as well as incineration/vitrification for organic and metallic mixed waste or metallic fusion. The close relationship between the R and D teams and industrial operators enables the LCV to propose attractive waste management solutions, with appropriate schedules and optimized development costs, making allowance for R and D constraints, engineering requirements and the industrial environment. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2012

Carbonation Behavior of Pure Cement Hydrates under Supercritical Carbon Dioxide Conditions - 12199

Carbonation of cement-based waste forms using a supercritical carbon dioxide (SCCO{sub 2}) is a developing technology for the waste immobilization of radioactive and non-radioactive wastes. However, the detail carbonation behaviors of cement matrices under the SCCO{sub 2} condition are unknown, since cement matrices forms very complex phases. In this study, in order to clarify the crystal phases, we synthesized pure cement hydrate phases as each single phases; portlandite (Ca(OH){sub 2}), ettringite (Ca{sub 6}Al{sub 2}(SO{sub 4}){sub 3}(OH){sub 12}.26H{sub 2}O), and calcium silicate hydrate (n CaO---m SiO{sub 2} ---x H{sub 2}O), using suspensions containing a stoichiometric mixture of chemical regents, and performed carbonation experiments using an autoclave under supercritical condition for carbon dioxide. The XRD results revealed both the carbonate phases and co-product phases depending on the initial hydrate phases; gypsum for Ettringite, amorphous or crystalline silica for calcium silicate hydroxide. Thermogravimetric analysis was also performed to understand carbonation behaviors quantitatively. According to the experimental results, it was found that the major reaction was formation of calcium carbonate (CaCO{sub 3}) in all cases. However, the behaviors of H{sub 2}O and CO{sub 2} content were quietly different: Portlandite was most reactive for carbonation under SCCO{sub 2} conditions, and the CO{sub 2} content per one molar CaO was ranged from 0.96 ∼ 0.98. In the case of Ettringite, the experiment indicates partial decomposition of ettringite phase during carbonation. Ettringite was comparatively stable even under the SCCO{sub 2} conditions. Therefore, a part of ettringite remained and formed similar phases after the ettringite carbonation. The CO{sub 2} content for ettringite showed almost constant values around 0.86 ∼ 0.87. In the case of calcium silicate hydrate, the carbonation behavior was significantly influenced by the condition of SCCO{sub 2}. The CO{sub 2} content for the calcium silicate hydrate had values that ranged from 0.51 ∼ 1.01. The co-products of the carbonation were gypsum (CaSO{sub 4}) for ettringite, silica gel (SiO{sub x}) and silica (SiO{sub 2}) for calcium silicate hydrate, which also contributed to the densification of the particles. The production of co-products enhanced the change to their morphology after the carbonation. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2017

Retention of Cr in Meta-kaolin-based geo-polymeric Materials under Oxidation and Carbonation - 17453

Alkali activated alumino-silicates, often referred to as geo-polymers, are considered promising immobilization matrices for contaminants due to their high sorption capacity, durability and low leachability. For some contaminants they may prove superior to cement pastes that are conventional immobilization materials in waste management applications. However, estimating the retention capacity of some contaminants under environmental conditions that include oxidation and carbonation and may induce a valance change, is complicated. These contaminants tend to be soluble under oxidizing condition and form precipitates under reducing conditions. Thus, contaminant retention is highly dependent on the initial oxidation state at which the metal was introduced, as well as the matrix sorption ability, ability to resist oxidation and carbonation, and the contaminant leachability. Moreover, carbonation in considered one of the most important degradation mechanisms in cementitious material, causing porosity reduction and significant changes in contaminant leachability, however, geo-polymers have considerably lower Ca content relative to cements, or none, and the effect of carbonation on these pastes is less clear. Thus, contaminant release mechanisms and rates must be estimated based upon exposure to various atmospheres appropriate to waste management applications. In this study we aim to estimate the sorption capacity, and leachability of Cr from a meta-kaolin based geo-polymer, doped with Cr, as a function of its oxidation state and carbonation. Cr has a high valance range from +6 to 0 similar to Tc, and is used as its simulant in the current study. Sodium dichromate was used as an oxidized source metal material. To induce reducing conditions, ascorbic acid was added except for experimental control cases. The samples were aged under N{sub 2}, 98% N{sub 2} + 2% CO{sub 2}, CO{sub 2} deficient air and air environments under constant relative humidity. Following aging, samples were subject to equilibrium leaching as a function of pH (EPA Method 1313) and monolith mass transport rate testing (EPA Method 1315). Mass balance calculations, based on the results of a pH dependent leaching test, have shown that oxidized Cr samples lost 85-95% of their Cr content, whereas, the reduced Cr samples lost only 20% of their Cr content. On the other hand, the leachability of Si and Al is much higher in the reduced-Cr samples then in the samples with oxidized Cr, and their natural pH is up to 2.5 pH units lower than that of the oxidizing cases. Thus, we conclude that the combination of the reducing agent and the spike chemistry influence the matrix formation. Sample aging have not resulted in any significant change in the Cr-leaching behavior of the oxidizing matrices in the pH dependent leaching test, although a significant decrease in the natural pH, of 1.5 pH unit, was observed upon exposure to elevated CO{sub 2} levels (2%), probably due to the formation of Na-carbonate species. The pH and leaching behavior of the reduced Cr samples under the various aging conditions have not yielded significant variation either in their natural pH or in their leaching behavior. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2015

Vadose zone monitoring at the radioactive waste management sites at the Nevada national security site - 15294

Two lysimeter facilities continuously monitor the vadose zone at the radioactive waste disposal sites at the Nevada National Security Site. The time-series data collected at these facilities support the performance assessments of the radioactive waste disposal sites, the closure cover designs, and the long-term monitoring decisions for these sites. The Weighing Lysimeter Facility at the Area 5 Radioactive Waste Management Site (RWMS) consists of a bare-soil weighing lysimeter and a vegetated weighing lysimeter. The upper surfaces of both weighing lysimeters are exposed to precipitation. The Drainage Lysimeter Facility at the Area 3 RWMS includes bare-soil lysimeters that receive precipitation or precipitation supplemented with irrigation equal to double precipitation and vegetated lysimeters that have the same upper boundary conditions as the bare-soil lysimeters. Lysimeter sensors are connected to data-loggers that are accessed remotely for data acquisition. Lysimeter water balance measurements show the arid climate and native vegetation at the NNSS provide a natural sustainable system to effectively prevent transport of contaminants from the RWMSs through the vadose zone to groundwater. Transport by infiltration and percolation of present day precipitation at the RWMSs is prevented. The native desert vegetation is adapted to extract moisture from very dry soils and maintains negative matric potentials at the base of the root zone effectively buffering the deep vadose zone from episodic precipitation events at the surface. The very negative matric potential at the base of the root zone effectively intercepts all infiltration from precipitation and draws moisture upward from the vadose zone below the root zone. This system is sustainable because it does not rely on engineered features and mimics the stable landscapes and no groundwater recharge of the current condition surrounding the RWMSs. The system depends on establishing native vegetation in the covers above the waste cells and a stable climate. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2015

The cementitious barriers partnership experimental programs and software advancing DOE's waste disposal/tank closure efforts - 15436

The U.S. Department of Energy Environmental Management (DOE-EM) Office of Tank Waste Management sponsored Cementitious Barriers Partnership (CBP) is chartered with providing the technical basis for implementing cement-based waste forms and radioactive waste containment structures for long-term disposal. DOE needs in this area include the following to support progress in final treatment and disposal of legacy waste and closure of High-Level Waste (HLW) tanks in the DOE complex: - Long-term performance predictions and - Flow sheet development and flow sheet enhancements - Conceptual designs for new disposal facilities The DOE-EM Cementitious Barriers Partnership is producing software and experimental programs resulting in new methods and data needed for end-users involved with environmental cleanup and waste disposal. Both the modeling tools and the experimental data have already benefited the DOE sites in the areas of performance assessments by increasing confidence backed up with modeling support, leaching methods, and transport properties developed for actual DOE materials. In 2014, the CBP Partnership released the CBP Software Toolbox - 'Version 2.0' which provides concrete degradation models for: 1) sulfate attack, 2) carbonation, 3) chloride initiated rebar corrosion, and includes constituent leaching. These models are applicable and can be used by both DOE and the Nuclear Regulatory Commission (NRC) for service life and long-term performance evaluations and predictions of nuclear and radioactive waste containment structures across the DOE complex (Figure 1) including Future SRS salt-stone and HLW tank performance assessments and special analyses - Hanford site HLW tank closure projects and other projects in which cementitious barriers are required - The Advanced Simulation Capability for Environmental Management (ASCEM) project which requires source terms from cementitious containment structures as input to their flow simulations - Regulatory reviews of DOE performance assessments - Nuclear Regulatory Commission reviews of commercial nuclear power plant (NPP) structures which are part of the overall US Energy Security program to extend the service life of NPPs In addition, the CBP experimental programs have had a significant impact on the DOE complex by providing specific data unique to DOE sodium salt wastes at Hanford and SRS which are not readily available in the literature. Two recent experimental programs on cementitious phase characterization and on technetium (Tc) mobility have provided significant conclusions as summarized below: Recent mineralogy characterization discussed in this paper illustrates that sodium salt waste form matrices are somewhat similar to but not the same as those found in blended cement matrices which to date have been used in long-term thermodynamic modeling and contaminant sequestration as a first approximation. Utilizing the CBP generated data in long-term performance predictions provides for a more defensible technical basis in performance evaluations. - In addition, recent experimental studies related to technetium mobility indicate that conventional leaching protocols may not be conservative for direct disposal of Tc- containing waste forms in vadose zone environments. These results have the potential to influence the current Hanford supplemental waste treatment flow sheet and disposal conceptual design. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2016

WIPP Certification of the Retrieval Box Assay System at the Advanced Mixed Waste Treatment Plant, Idaho - 16241

The Retrieval Box Assay System (RBAS) at the Advanced Mixed Waste Treatment Plant (AMWTP) is an Imaging Passive Active Neutron system supplemented with a High Purity Germanium (HPGe) gamma system for the quantification of Pu-239 Fissile Gram Equivalent (FGE) and transuranic (TRU) alpha activity of waste containers of various sizes up to 249 cm x 149 cm x 198 cm (Length x Width x Height). The system was originally calibrated in 2002 (with a range of surrogate matrices and radioactive sources in a 213 cm x 122 cm x 122 cm FRP box) and has been operational for over a decade. As of August 2015, the RBAS has measured approximately 18,000 boxes (50,000 m3 of waste) which has subsequently been fed into the facility's treatment process. Its success, and the wide envelope of waste that it can characterize, has led AMWTP to extend the RBAS mission to include WIPP certification. As part of this new project, the instrument must be capable of meeting WIPP's Waste Acceptance Criteria (WAC) which include reporting activities and masses of the 10 WIPP-tracked radionuclides. The system will be required to assay sludge and debris waste streams, shredded waste and large metal items. The container size includes Standard Waste Box (SWBs), Fiberglass Reinforced Plywood (FRPs) and large Shredder Boxes. Sludge matrices will be loaded into 210-liter (55-gallon) drums and placed inside an SWB. After assay, boxes will be over-packed into SLB-II's for shipment to WIPP. The target waste streams will contain mixtures of Weapons Grade plutonium, Heat Source plutonium (high in Pu-238 content) and Mixed Oxide (MOX). The activity of the waste is expected to encompass a wide dynamic range of activity from low-level waste (LLW) to TRU with up to several hundred grams of plutonium. Some packages will have high gamma activity associated with fission and activation products such as Cs-137 and Co-60. The existing RBAS hardware (detectors, electronics, assay chamber etc.) was retained for this project. Two lead filters were provided and installed on the existing filter wheels to attenuate the gamma ray flux from the highest activity boxes to avoid overload of the HPGe detectors. The new software suite includes PC-FRAM (Version 5), which is used for the isotopic analysis of the gamma spectra. Integration of FRAM and neutron results is performed using a software package known as RBAS WIPP Analysis Reporting Software (RWARS). This package also performs matrix dependent background adjustments. Other upgrades provided include automated tests that identify when assay parameters fall outside a predetermined range and a new Quality Checking (QC) application. Minimum Detectable Activity (MDA) values were determined for the active and passive neutron modes as a function of measured matrix correction indices. The resulting Minimum Detectable Concentration (MDC) has been demonstrated to be less than 3700 Bq/g alpha activity (100 nCi/g). Modifications were performed to update the system TMU parameters to accommodate assay of non-standard size boxes and a wider range of matrix materials. A series of calibration confirmation, measurements were performed on site in 2014 using a representative range of surrogate boxes and radioactive sources including Pu. The WIPP WAC performance criteria were successfully demonstrated up to 157 g Pu and the system passed its first Performance Demonstration Program (PDP) cycle in the Spring of 2015. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2018

Vitrification of High-Level Waste: how to Select the Best Suited Technology - 18117

Since more than 30 years now, a number of countries have selected and operated vitrification as the best industrial practice for safely and durably immobilizing the most active liquid waste. This now significant worldwide experience covers a wide range of waste compositions, from concentrated alkaline defense waste sludges with a variety of salts and chemicals (Na, Fe, Al, Cr, sulphate,... ) to relatively clear acidic HLLW from commercial, low salt, PUREX-type processes, waste that include dissolved cladding material (Al, Mg, stainless steel), waste that include high levels of noble metals and fines... The activity levels vary from 40- year old defense waste to relatively young waste from high burn-up commercial fuel. The current throughputs vary from about 5 kg/h of glass to about 90 kg/h of glass per melter. Even higher throughputs are currently being considered for Hanford facility for instance. In order to cope with the range of waste compositions, glass compositions have also evolved from low melting temperature borosilicate or phosphate glass to glass or glass ceramics with higher melting temperatures. More complex matrices are currently under study in a number of countries, to immobilize more complex waste and / or increase waste loadings. Each challenge is unique and, for each challenge, it is necessary to select the best combination of waste form and technology. For instance for very active solutions with high levels of noble metal particles that could settle, increase apparent glass viscosity, and impact electrical conductivity, one would select borosilicate glass in the mechanically-stirred hot wall induction melter with bottom pouring that has proven its efficiency in industrial conditions at La Hague. For high glass throughputs with low solids in a borosilicate melt (typically Defense waste), ceramic melters have proven their reliability and efficiency. For matrices that need higher temperatures, or with very high corrosiveness, Cold-Crucible Induction Melters are now considered, with one first industrial implementation at La Hague to produce borosilicate glass and a glass-ceramic. All these technologies have been improved over the years to increase throughput, waste loading, melting temperature, reliability... Other types of waste are now being studied worldwide, and for each, it is necessary to carefully select the adapted waste form and technology. The technologies studied will range from traditional technologies (such as hot-wall induction melter technology and liquid-fed ceramic melter technologies) to the more recent advanced technologies (such as Cold Crucible Induction Melter or Advanced Ceramic melters). In addition, the field of vitrification is extending to other types of waste; the current advances in this field will also be described. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

Potential Advantages to Employing an Onsite Laboratory at FUSRAP Sites Contaminated with Radionuclides and Metals - 20353

Various factors that support an evaluation of the relative costs, advantages and disadvantages of utilizing an onsite laboratory or an offsite laboratory for remediation of Formerly Utilized Sites Remedial Action Program (FUSRAP) sites contaminated with radionuclides and metals are presented. In terms of how much more quickly an onsite laboratory provides results versus an offsite laboratory, the results of this study provide tools for calculating the amount of cost savings per day for excavation of contaminated soils for various scenarios including: - State, municipal or local property remediation where the remediation schedule becomes time-critical due to the extra cost and inconvenience to the town or municipality caused by the need for increased security and safety personnel, possible road closures and detours, and the inconvenience to the public due to modified or decreased services of State or municipal facilities; - Residential property where the remediation schedule becomes time-critical due to the inconvenience to the homeowner as well as the importance of maintaining good community relations; - Commercial property where the remediation schedule becomes time-critical due to the hardship and potential loss of revenue endured by the property owner; - Open area where treatment of excavation water is required, and - Open area where treatment of excavation water is not required. For every scenario, the number of matrices, radionuclide and metal contaminants of concern and the project duration are important factors. The costs for the onsite laboratory included the capital costs associated with setting up the lab such as trailer(s) or building(s), power and water hookup, analytical testing equipment, balances, computers, desks and bookcases; support equipment such as hot plates, filtration assemblies, safety equipment, ovens, etc.; and supplies such as glassware, pipettes, filters, etc. and ongoing costs such as labor, chemicals and reagents, standards, cost of the laboratory obtaining certification and maintenance. Offsite laboratory sample testing costs are generally very competitive and typically substantially lower than onsite laboratory costs if only the sample testing costs are considered. The great disadvantage of using an offsite laboratory is that they often cannot guarantee rapid turnaround times for results which creates project delays associated with the remediation process including delays determining the completeness of the characterization and remediation processes, delays in backfilling a property and additional costs for treating wastewater (excavation water, stormwater or both). These costs will vary greatly depending upon the area of the country in which the project is located due to the wide range of labor costs for the onsite laboratory and field workers, as well as the contaminants of interest, matrices and most importantly the size of the impacted area and the number of properties located in that area. This paper provides guidelines for calculating the cost savings that may be realized if an onsite laboratory can generate results more quickly than an offsite laboratory by estimating the costs associated with the remediation process for the various scenarios noted above such as work crew labor costs, excavator and dump truck equipment rentals, wastewater treatment costs (if applicable) and the additional costs incurred by homeowners, commercial property owners and towns/municipalities that are reimbursed by the potentially responsible parties. Key assumptions involve the typical quickest turnaround time provided by the onsite and offsite laboratories. Costs for the operation of a wastewater treatment system and the remediation of a site area or property were provided by personnel who have been involved in the operation of a large FUSRAP site in New Jersey for many years. This study provides valuable information for determining the most cost-effective approach for analysis of project samples and therefore may be used on upcoming FUSRAP projects. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Nuclear data uncertainty quantification for the nuclide inventory of a Calvert Cliffs spent fuel sample

The impact of nuclear data cross section uncertainties and covariance matrices on the nuclide vector of spent nuclear fuel was investigated; This exercise was carried out for the Calvert Cliffs fuel assembly D047 benchmark available in the SFCOMPO database. Sample P irradiated in rod MKP109 for 4 cycles up to a burnup of approximately 44 GWd/MTU was selected for the analysis. Nuclear data uncertainties were taken from the most recent libraries released by evaluation projects JEFF, ENDF/B and JENDL, and were propagated using the SANDY code via a stochastic sampling approach. This paper provides a quantification of the uncertainty on the concentration of several actinides and fission products relevant for spent fuel management. Uncertainties generally below 5 % were predicted for the concentrations of most of the uranium, neptunium and plutonium isotopes relevant for SNF applications. Curium isotopes carry larger uncertainties that might exceed 10 %. The contribution of cross section uncertainties on the concentrations of fission products was found to be marginal with the exception of a few nuclides. These results can be significantly affected by the lack of evaluated covariance matrices for the capture cross section of several fission products. Burnup tracers such as {sup 148}Nd and {sup 137}Cs have negligible uncertainties because of the power normalisation imposed in every stochastic calculation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

autoGEMM: Pushing the Limits of Irregular Matrix Multiplication on Arm Architectures

This paper presents an open-source library that pushes the limits of performance portability for irregular General Matrix Multiplication (GEMM) on the widely-used Arm architectures. Our library, autoGEMM, is designed to support a wide range of Arm processors: from edge devices to HPC-grade CPUs. autoGEMM generates optimized kernels for various hardware configurations by auto-combining fragments of autogenerated micro-kernels that employ hand-written optimizations to maximize computational efficiency. We optimize the kernel pipeline by tuning the register reuse and the data load/store overlapping. In addition, we use a dynamic tiling scheme to generate balanced tile shapes. Finally, we position autoGEMM on top of the TVM framework where our dynamic tiling scheme prunes the search space for TVM to identify the optimal combination of parameters for code optimization. Evaluations on five different classes of Arm chips demonstrate the advantages of autoGEMM. For small matrices, autoGEMM achieves 98% of peak and up to 2.0x speedup over state-of-the-art libraries such as LIBXSMM and LibShalom. For irregular matrices (i.e. tall skinny and long rectangles), autoGEMM is 1.3-2.0x faster than widely-used libraries such as OpenBLAS and Eigen. autoGEMM is publicly available at: https://github.com/wudu98/autoGEMM.

Wu, Du↗