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Interface flux recovery framework for constructing partitioned heterogeneous time-integration methods

A common approach for the development of partitioned schemes employing different time integrators on different subdomains is to lag the coupling terms in time. This can lead to accuracy issues, especially in multistage methods. Here, in this article, we present a novel framework for partitioned heterogeneous time-integration methods, which allows the coupling of arbitrary multistage and multistep methods without reducing their order of accuracy. At the core of our approach are accurate estimates of the interface flux obtained from the Schur complement of an auxiliary monolithic system. We use these estimates to construct a polynomial-in-time approximation of the interface flux over the current time coupling window. This approximation provides the interface boundary conditions necessary to decouple the subdomain problems at any point within the coupling window. In so doing our framework enables a flexible choice of time-integrators for the individual subproblems without compromising the time-accuracy at the coupled problem level. This feature is the main distinction between our framework and other approaches. To demonstrate the framework, we construct a family of partitioned heterogeneous time-integration methods, combining multistage and multistep methods, for a simplified tracer transport component of the coupled air-sea system in Earth system models. We report numerical tests evaluating accuracy and flux conservation for different pairs of time-integrators from the explicit Runge-Kutta and Adams-Moulton families.

97 MATHEMATICS AND COMPUTING↗

Robust Spectral Anomaly Detection in EELS Spectral Images via 3D Convolutional Variational Autoencoders

Abstract A 3D Convolutional Variational Autoencoder (3D‐CVAE) is introduced for automated anomaly detection in electron energy‐loss spectroscopy spectrum imaging (EELS‐SI) data. This approach leverages the full 3D structure of EELS‐SI data to detect subtle spectral anomalies while preserving both spatial and spectral correlations across the datacube. By employing cross‐entropy loss and training on bulk spectra, the model learns to reconstruct bulk features characteristic of the defect‐free material. In exploring methods for anomaly detection, both the 3D‐CVAE approach and principal component analysis (PCA) are evaluated, testing their performance using FeL‐edge ΔEpeak shifts designed to simulate material defects. These results show that 3D‐CVAE achieves superior anomaly detection and maintains consistent performance across various shift magnitudes. The method demonstrates clear bimodal separation between bulk and anomalous spectra, enabling reliable classification. Further analysis verifies that lower‐dimensional representations are robust to anomalies in the data. While performance advantages over PCA diminish with decreasing anomaly concentration, our method maintains high reconstruction quality even in challenging, noise‐dominated spectral regions. This approach provides a robust framework for unsupervised automated detection of spectral anomalies in EELS‐SI data, particularly valuable for analyzing complex material systems.

Chemistry↗

State of practice and emerging application of analytical techniques of nuclear forensic analysis: highlights from the 4th Collaborative Materials Exercise of the Nuclear Forensics International Technical Working Group (ITWG)

Founded in 1996 upon the initiative of the “Group of 8” governments (G8), the Nuclear Forensics International Technical Working Group (ITWG) is an ad hoc organization of official nuclear forensics practitioners (scientists, law enforcement, and regulators) that can be called upon to provide technical assistance to the global community in the event of a seizure of nuclear or radiological materials. The ITWG is supported by and is affiliated with roughly 40 countries and international partner organizations including the International Atomic Energy Agency (IAEA), EURATOM, INTERPOL, EUROPOL, and the United Nations Interregional Crime and Justice Research Institute (UNICRI). Besides providing a network of nuclear forensics laboratories that are able to assist law enforcement during a nuclear smuggling event, the ITWG is also committed to the advancement of the science of nuclear forensic analysis, largely through participation in periodic table top and Collaborative Materials Exercises (CMXs). Exercise scenarios use “real world” samples with realistic forensics investigation time constraints and reporting requirements. These exercises are designed to promote best practices in the field and test, evaluate, and improve new technical capabilities, methods and techniques in order to advance the science of nuclear forensics. The ITWG recently completed its fourth CMX in the 20 year history of the organization. This was also the largest materials exercise to date, with participating laboratories from 16 countries or organizations. Three samples of low enriched uranium were shipped to these laboratories as part of an illicit trafficking scenario, for which each laboratory was asked to conduct nuclear forensic analyses in support of a fictitious criminal investigation. An objective review of the State Of Practice and Art of international nuclear forensic analysis based upon the outcome of this most recent exercise is provided.

ITWG CMX-4↗

Experimental Investigation of the System Nonmetallic Inclusion-Molten Steel-Refractory System at High Temperatures

In continuous casting, the buildup of particles in the flow control system is called clogging. Clogging may be caused by preexisting nonmetallic inclusions attached to the refractory wall, interrupting or disturbing the fluid flow conditions. The interfacial properties of the nonmetallic inclusion-molten steel-refractory system are believed to play a key role in the clogging tendency of selected steel grades in contact with ceramics. The combination of a high-temperature laser scanning confocal microscope (HT-LSCM), which is employed for in situ observation of inclusions’ behavior in the liquid steel or at the steel/ceramic interface, and a high-temperature drop shape analyzer (HT-DSA), which is utilized for contact angle measurements, enabled the investigation of reactions and interactions in the described system at experimental temperatures of approximately 1600 °C. The objective of this study was to develop a method to obtain qualitative information on the deposition of nonmetallic inclusions (NMIs) in the submerged entry nozzle (SEN) during casting. The behavior of solid NMIs from a calcium-treated steel at the interface between liquid steel and Al{sub 2}O{sub 3} or MgO was investigated by means of HT-LSCM. During the test evaluation, inclusions were found to separate at the steel/ceramic interface due to an attractive force. This force increased with the NMIs’ size as well as with the ceramic particle change. The HT-DSA provided contact angle data between molten steel and the ceramic used for implementation into the theoretical capillary force model. A clear correspondence between the estimated and calculated capillary forces was observed. The change in the wettability of the system, as induced by the change in the ceramic from MgO to Al{sub 2}O{sub 3}, showed a reduction of the attractive forces, indicating a weaker separation toward the SEN for the same inclusion type. This study confirmed the strong potential of wettability investigations to predict the clogging tendency of certain steel grades.

36 MATERIALS SCIENCE↗

Dynamic analysis environment for nuclear forensic analyses

We report a Dynamic Analysis Environment (DAE) software package is introduced to facilitate group inclusion/exclusion method testing, evaluation and comparison for pre-detonation nuclear forensics applications. Employing DAE, the multivariate signatures of a questioned material can be compared to the signatures for different, known groups, enabling the linking of the questioned material to its potential process, location, or fabrication facility. Advantages of using DAE for group inclusion/exclusion include built-in query tools for retrieving data of interest from a database, the recording and documentation of all analysis steps, a clear visualization of the analysis steps intelligible to a non-expert, and the ability to integrate analysis tools developed in different programming languages. Two group inclusion/exclusion methods are implemented in DAE: principal component analysis, a parametric feature extraction method, and k nearest neighbors, a nonparametric pattern recognition method. Spent Fuel Isotopic Composition (SFCOMPO), an open source international database of isotopic compositions for spent nuclear fuels (SNF) from 14 reactors, is used to construct PCA and KNN models for known reactor groups, and 20 simulated SNF samples are utilized in evaluating the performance of these group inclusion/exclusion models. For all 20 simulated samples, PCA in conjunction with the Q statistic correctly excludes a large percentage of reactor groups and correctly includes the true reactor of origination. As a result, employing KNN, 14 of the 20 simulated samples are classified to their true reactor of origination.

97 MATHEMATICS AND COMPUTING↗

Planning, design and logistics of a decision analysis study: The FBI/Ames study involving forensic firearms examiners

This paper describes design and logistical aspects of a decision analysis study to assess the performance of qualified firearms examiners working in accredited laboratories in the United States in terms of accuracy (error rate), repeatability, and reproducibility of decisions involving comparisons of fired bullets and cartridge cases. The purpose of the study was to validate current practice of the forensic discipline of firearms/toolmarks (F/T) examination. It elicited error rate data by counting the number of false positive and false negative conclusions. Preceded by the experimental design, decisions, and logistics described herein, testing was ultimately administered 173 qualified, practicing F/T examiners in public and private crime laboratories. The first round of testing evaluated accuracy, while two subsequent rounds evaluated repeatability and reproducibility of examiner conclusions. This project expands on previous studies by involving many F/T examiners in challenging comparisons and by executing the study in the recommended double-blind format.

99 GENERAL AND MISCELLANEOUS↗

Roof ponds combined with a water-to-air heat exchanger as a passive cooling system: Experimental comparison of two system variants

Two roof pond configurations combined with a water-to-air heat exchanger (WAHE) are evaluated. Test cells of 1.35 m × 1.35 m x 1.35 m with the same thermal properties, except for the roofs, are built in a hot-dry climate with mild winters. They are connected with a WAHE placed inside the roof pond's water by a pipe through which the indoor air is re-circulated. The first roof consists of a 0.35 m deep water pond covered with a floating polystyrene insulation 0.03 m thick, and a spray system located 0.5 m above it that operates at night. The second roof is covered with an aluminum plate separated by a 0.10 m air gap above a 0.25 m deep water pond. We ran multiple series and compared the results to a control cell that had a California energy code compliant insulated roof. Predictive equations are developed to dimension the WAHE system. Results demonstrate that the cells with roof ponds have better cooling performance than the code compliant control cell. The best performance is obtained in the cell with the WAHE operating continuously. In this case, the indoor temperature stayed below 24 °C even with ambient temperatures above 35 °C.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Investigation of 1-D crustal velocity structure beneath Izmir Gulf and surroundings by using local earthquakes

In this study; we examined one dimensional crustal velocity structure of Izmir gulf and surroundings. We used nearly one thousand high quality (A and B class) earthquake data which recorded by Disaster and Emergency Management Presidency (AFAD) [1], Bogazici University (BU-KOERI) [2] and National Observatory of Athens (NOA) [3,4]. We tried several synthetic tests to understand power of new velocity structure, and examined phase residuals, RMS values and shifting tests. After evaluating these tests; we decided one dimensional velocity structure and minimum 1-D P wave velocities, hypocentral parameter and earthquake locations from VELEST algorithm. Distribution of earthquakes was visibly improved by using new minimum velocity structure.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Development of a low-pressure Multi-Mesh THGEM detector for fission experiments at FRIB

Abstract A small-area imaging detector prototype for position measurement of fission fragments produced in low energy heavy-ion reactions is presented in this study. The detector readout is equipped with a 2-dimensional, position-sensitive gaseous avalanche readout based on the novel Multi-Mesh Thick-GEM (MM-THGEM), and is coupled to a delay-line board for particle localization. The prototype has an effective area of 10 × 10 cm 2 and is operated in isobutane at low pressure (7–10 Torr). We present and discuss a series of systematic evaluation tests performed by irradiating the detector with α-particles and fission fragments emitted by small-rate sources ( 241 Am, 249 Cf and 252 Cf). Position and time resolutions of about 0.42 mm and 1 ns were achieved, respectively. This work serves as a benchmark for the development of a large-scale array of detectors for experiments with fission and fission-like reaction products at the Facility for Rare Isotope Beams (FRIB).

Instruments & Instrumentation↗

Post Irradiation Examination of Pressurized Water Reactor Stainless Steel Internal Components

Internal structural components of pressurized water reactors (PWR), such as baffle former bolts, are subjected to significant neutron irradiation and mechanical stresses at elevated temperatures during plant operation. Over the long operation of the power plant, these conditions lead to potential degradation and reduced load-carrying capacity of these bolts. To understand property degradation more fully, to confirm the results of experimental irradiation programs, and to predict operational lifetime performance of structural materials in internal components, post irradiation examination of harvested materials from operating nuclear reactors is required. In this work, two high fluence 316 stainless steel baffle former bolts were retrieved from a commercial Westinghouse two-loop downflow type PWR and then sectioned for analysis via mechanical testing and microstructural characterization. The irradiation damage fluctuated along the bolt length with damage levels from 15 to 41 displacements per atom with the bolt head receiving approximately twice the neutron damage levels as that of the bolt thread section. Mechanical testing evaluations showed extensive irradiation hardening and a sharp decrease in fracture toughness in all parts of the bolt, though with limited variation along the bolt length. Microstructural characterization using analytical scanning transmission electron microscopy and atom probe tomography showed significant radiation induced precipitation, segregation, and dislocation loop and cavity formation. However, unlike the mechanical behavior, there was considerable variation along the bolt length but opposite of what may be expected, with more precipitation and cavity formation in the bolt thread where the neutron radiation dose is less than in the bolt head where the neutron radiation dose is higher. The cause of this variation is likely due to gradients in temperature, neutron energy spectra, and gamma irradiation.

Lach, Tim↗

High Performance Computing Cluster Engineering Academy

Collection of tools and code for evaluation testing of HPC orchestration solutions by HPCCEA summer students. These scripts and configuration files were written by HPCCEA summer students as part of their summer internship where they explore alternative solutions to our current HPC cluster management software. These scripts/configuration files range from using configuration management tools (Puppet, Chef, Ansible, Fabric, etc.) to scripting languages (Phython, BASH, Perl, etc.). Each year, new students will be added to the project and expand on previous years work.

Bennett, ThomasG↗

The RF Protection Interlock System Prototype Verification

The Radio Frequency Protection Interlock system plays vital role in the LLRF related/dependent accelerator sections Protection. It’s main role is to collect information from number different sensors and indicators around nearest cavities and cryomodule and provide instant RF signal termination in case of safety thresholds violation. This submission describes newly designed RFPI system tailored to the Proton Improvement Plan II (PIP-II) requirements. The proof of concept prototype of this system has been build. The paper includes also the CMTF environment evaluation tests results and findings as an input to the next full-scope prototype design.

43 PARTICLE ACCELERATORS↗

Measure Guideline: Combination Forced-Air Space and Tankless Domestic Hot Water Heating Systems

This document describes design and application guidance for combination space and tankless domestic hot water heating systems (combination systems) used in residential buildings, based on field evaluation, testing, and industry meetings conducted by Building Science Corporation. As residential building enclosure improvements continue to drive heating loads down, using the same water heatingequipment for both space heating and domestic water heating becomes attractive from an initial cost and space-saving perspective. This topic is applicable to single- and multi-family residential buildings, both new and retrofitted.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Ion Exchange Testing with SRF Resin FY2012

Ion exchange using spherical resorcinol-formaldehyde (SRF) resin has been selected by the U.S. Department of Energy’s Office of River Protection (DOE-ORP) for use in the Pretreatment Facility (PTF) of the Hanford Tank Waste Treatment and Immobilization Plant (WTP) and for potential application in at-tank deployment. Numerous studies have shown SRF resin to be effective for removing 137Cs from a wide variety of actual and simulated tank waste supernatants (Adamson et al. 2006; Blanchard et al. 2008; Burgeson et al. 2004; Duignan and Nash 2009; Fiskum et al. 2006a; Fiskum et al. 2006b; Fiskum et al. 2006c; Fiskum et al. 2007; Hassan and Adu-Wusu 2003; King et al. 2004; Nash et al. 2006). Prior work at the Pacific Northwest National Laboratory (PNNL) has focused primarily on the loading behavior for 4 to 6 M Na solutions at 25 to 45°C. Recent proposed changes to the WTP ion exchange process baseline indicate that loading may include a broader range of sodium molarities (0.1 to 8 M) and higher temperatures (50°C) to alleviate post-filtration precipitation issues. This report discusses ion exchange loading kinetics testing activities performed in accordance with Test Plan TP-WTPSP-002, Rev. 3.0, which was prepared and approved in response to the Test Specification 24590 PTF-TSP-RT-09-002, Rev. 0 (Lehrman 2010) and Test Exception 24590 PTF TEF RT-11-00003, Rev. 0 (Meehan 2011). This testing focused on column tests evaluating the impact of elevated temperature on resin degradation over an extended period of time and batch contacts evaluating the impact on Cs loading over a broad range of sodium concentrations (0.1 to 5 M). These changes may be required to alleviate post-filtration precipitation issues and broaden the data range of SRF resin loading under the conditions expected with the new equipment and process changes.

Hanford Tank Waste Treatment and Immobilization Pl↗

Low Noble Metal Content Catalysts/Electrodes for Hydrogen Production by Water Electrolysis

Commercial proton exchange membrane (PEM)-based electrolyzers require highly expensive catalyst materials such as platinum group metals due to the acidic environment of the membrane. However, by optimizing the catalyst electrode structure for high utilization and activity, the amount of catalyst required can be reduced to an acceptable amount for both lifecycle and capital cost. In this project, we aim to reduce the Pt content by two orders of magnitude in the cathode catalyst for hydrogen evolution reaction (HER) and significantly reduce the Ir content in the anode catalyst for oxygen evolution reaction (OER). Proton has developed a collaboration over the past year and a half with the BNL electrocatalysis group, which will provide key expertise in design and synthesis of core-shell nanocatalysts and innovative structure integration of catalyst synthesis and electrode fabrication. The Phase 1 STTR will focus on optimization of the cathode catalyst and electrode for the hydrogen evolution reaction, and identifying an effective approach for significantly improving anode performance for the OER with reduced noble metal content. The catalyst design will combine the most active, durable components with atomic-level control of core-shell structure and narrow particle size distribution to maximize specific surface area. The synthesis methods will be developed to produce high quality catalysts at low cost for large scale production. GDEs will be fabricated to maximize the catalyst utilization at the cathode. Proton will conduct performance and durability tests, evaluate the results against current state-of-the-art catalysts/electrodes, and will estimate the production costs including lifecycle costs using the H2A model.

36 MATERIALS SCIENCE↗

Development of High Rate Coating Technology for Low Cost Electrochromic Dynamic Windows

Objectives of the Project: The objective of this project was to develop and demonstrate the feasibility of depositing critical electrochromic layers at high rate using new novel vacuum coating sources, to develop a full electrochromic process flow by combining conventional processes with new deposition sources, to characterize, test, evaluate, and optimize the resulting coatings and devices, and, to demonstrate an electrochromic device using the new process flow and sources. As addendum objectives, this project was to develop and demonstrate direct patterning methods with novel integration schemes. The long term objective, beyond this program, is to integrate these innovations to enable production of low-cost, high-performance electrochromic windows produced on highly reliable and high yielding manufacturing equipment and systems.

36 MATERIALS SCIENCE↗

Ion Exchange Testing with SRF Resin FY 2012

Ion exchange using spherical resorcinol-formaldehyde (SRF) resin has been selected by the U.S. Department of Energy’s Office of River Protection (DOE-ORP) for use in the Pretreatment Facility (PTF) of the Hanford Tank Waste Treatment and Immobilization Plant (WTP) and for potential application in at-tank deployment. Numerous studies have shown SRF resin to be effective for removing 137Cs from a wide variety of actual and simulated tank waste supernatants (Adamson et al. 2006; Blanchard et al. 2008; Burgeson et al. 2004; Duignan and Nash 2009; Fiskum et al. 2006a; Fiskum et al. 2006b; Fiskum et al. 2006c; Fiskum et al. 2007; Hassan and Adu-Wusu 2003; King et al. 2004; Nash et al. 2006). Prior work at the Pacific Northwest National Laboratory (PNNL) has focused primarily on the loading behavior for 4 to 6 M Na solutions at 25 to 45°C. Recent proposed changes to the WTP ion exchange process baseline indicate that loading may include a broader range of sodium molarities (0.1 to 8 M) and higher temperatures (50°C) to alleviate post-filtration precipitation issues. This report discusses ion exchange loading kinetics testing activities performed in accordance with Test Plan TP-WTPSP-002, Rev. 3.01, which was prepared and approved in response to the Test Specification 24590-PTF-TSP-RT-09-002, Rev. 0 (Lehrman 2010) and Test Exception 24590-PTF-TEF-RT-11-00003, Rev. 0 (Meehan 2011). This testing focused on column tests evaluating the impact of elevated temperature on resin degradation over an extended period of time and batch contacts evaluating the impact on Cs loading over a broad range of sodium concentrations (0.1 to 5 M). These changes may be required to alleviate post-filtration precipitation issues and broaden the data range of SRF resin loading under the conditions expected with the new equipment and process changes.

Ion exchange↗

Evaluation of Crawlspace Retrofits in Multifamily Buildings

In 2011 and early 2012, Building Science Corporation (BSC) collaborated with Innova Services Corporation on a multifamily community unvented crawlspace retrofit project at Oakwood Gardens in Lansdale, Pennsylvania. BSC provided design consulting services and pre- and post-retrofit evaluation, testing, and data monitoring. The existing condition was a vented crawlspace with an uninsulated floor between the crawlspace and the dwelling units above. The crawlspace was therefore a critically weak link in the building enclosure and was ripe for improvement. Saving energy was the primary interest and goal, but the greatest challenge in this unvented crawlspace retrofit project was working through a crawlspace bulk water intrusion problem caused by inadequate site drainage, window well drainage, foundation wall drainage, and a rising water table during rainy periods. While the unvented crawlspace retrofit was effective in reducing heat loss, and the majority of the bulk water drainage problems had been resolved, the important finding was that some of the wood joists embedded in masonry pockets behind the brick veneer were showing signs of moisture damage.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗