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OWL Release Process

The Online Waste Library (OWL) provides one consolidated source of information on Department of Energy-managed wastes likely to require deep geologic disposal. With the release of OWL Version 1.0 in fiscal year (FY) 2019, much of the FY2020 work involved developing the OWL change control process and the OWL release process. These two processes (in draft form) were put into use for OWL Version 2.0, which was released in early FY2021. With the knowledge gained, the OWL team refined and documented the two processes in two separate reports. This report addresses the release process starting with a definition of release management in Section 2. Section 3 describes the Information Technology Infrastructure Library (ITIL) framework, part of which includes the three different environments used for release management. Section 4 presents the OWL components existing in the different environments and provides details on the release schedule and procedures.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Improving Protein–Ligand Interaction Modeling with cryo-EM Data, Templates, and Deep Learning in 2021 Ligand Model Challenge

Elucidating protein–ligand interaction is crucial for studying the function of proteins and compounds in an organism and critical for drug discovery and design. The problem of protein–ligand interaction is traditionally tackled by molecular docking and simulation, which is based on physical forces and statistical potentials and cannot effectively leverage cryo-EM data and existing protein structural information in the protein–ligand modeling process. In this work, we developed a deep learning bioinformatics pipeline (DeepProLigand) to predict protein–ligand interactions from cryo-EM density maps of proteins and ligands. DeepProLigand first uses a deep learning method to predict the structure of proteins from cryo-EM maps, which is averaged with a reference (template) structure of the proteins to produce a combined structure to add ligands. The ligands are then identified and added into the structure to generate a protein–ligand complex structure, which is further refined. The method based on the deep learning prediction and template-based modeling was blindly tested in the 2021 EMDataResource Ligand Challenge and was ranked first in fitting ligands to cryo-EM density maps. These results demonstrate that the deep learning bioinformatics approach is a promising direction for modeling protein–ligand interactions on cryo-EM data using prior structural information.

59 BASIC BIOLOGICAL SCIENCES↗

Generation of brain pseudo-CTs using an undersampled, single-acquisition UTE-mDixon pulse sequence and unsupervised clustering

Purpose: MR-based pseudo-CT has an important role in MR-based radiation therapy planning and PET attenuation correction. The purpose of this study is to establish a clinically feasible approach, including image acquisition, correction, and CT formation, for pseudo-CT generation of the brain using a single-acquisition, undersampled ultrashort echo time (UTE)-mDixon pulse sequence. Methods: Nine patients were recruited for this study. For each patient, a 190-s, undersampled, single acquisition UTE-mDixon sequence of the brain was acquired (TE = 0.1, 1.5, and 2.8 ms). A novel method of retrospective trajectory correction of the free induction decay (FID) signal was performed based on point-spread functions of three external MR markers. Two-point Dixon images were reconstructed using the first and second echo data (TE = 1.5 and 2.8 ms). R2{sup ∗} images (1/T2{sup ∗}) were then estimated and were used to provide bone information. Three image features, i.e., Dixon-fat, Dixon-water, and R2{sup ∗}, were used for unsupervised clustering. Five tissue clusters, i.e., air, brain, fat, fluid, and bone, were estimated using the fuzzy c-means (FCM) algorithm. A two-step, automatic tissue-assignment approach was proposed and designed according to the prior information of the given feature space. Pseudo-CTs were generated by a voxelwise linear combination of the membership functions of the FCM. A low-dose CT was acquired for each patient and was used as the gold standard for comparison. Results: The contrast and sharpness of the FID images were improved after trajectory correction was applied. The mean of the estimated trajectory delay was 0.774 μs (max: 1.350 μs; min: 0.180 μs). The FCM-estimated centroids of different tissue types showed a distinguishable pattern for different tissues, and significant differences were found between the centroid locations of different tissue types. Pseudo-CT can provide additional skull detail and has low bias and absolute error of estimated CT numbers of voxels (−22 ± 29 HU and 130 ± 16 HU) when compared to low-dose CT. Conclusions: The MR features generated by the proposed acquisition, correction, and processing methods may provide representative clustering information and could thus be used for clinical pseudo-CT generation.

60 APPLIED LIFE SCIENCES↗

Model-Based Ultrasonic Signal Processing for the Nondestructive Evaluation of Additive Manufacturing Components

Ultrasonic testing (UT) for nondestructive evaluation (NDE) is a critical entity necessary to resolve both the quality and precision questions of complex parts evolving from the innovative additive manufacturing (AM) process. This modality provides the essential quantitative information for acceptance and potential flaw detectionof the part under investigation. A primary ingredient in UT besides the required precision robotic hardware for theacquisition of high quality measurement data is the underlying signal processing. It is here that much of the system performance capability resides. In this report,we discuss the basic steps in UT signal processing along with current and future capabilities that must be achieved in order to satisfy the critical demands created by the AM process.

42 ENGINEERING↗

New approach to terahertz diagnostics of human psychoemotional state

A new approach to terahertz (THz) diagnostics of the human psychoemotional state is proposed, based on the analysis of the THz contribution to the total signal while simultaneously recording the IR and THz emissions from the human body (hereinafter referred to as the IR – THz image). The developed image-processing algorithm allows extraction of the informative contribution determined by the THz radiation from the total signal perceived by the recording system. Simultaneous registration of the IR – THz images of the human face and the psychophysiological indicators are carried out in situations of physical stress (short-term intense physical exercise – squats functional test), electrical stimulation, and information stress (cognitive load – simple arithmetic mental calculations). The obtained data are compared with those of similar measurements at rest. It is shown that using cluster analysis of IR – THz images it is possible to divide the test subjects into classes according to the type of reaction of the circulatory system under stressful conditions. (paper)

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Economic and embodied energy analysis of integrated circuit manufacturing processes

Integrated circuits (ICs) are the fundamental microelectronic building blocks of typical information and communication technology (ICT) devices such as laptops and smartphone. With the emergence of faster and cheaper low-power ICs for the growing ICT market, there is a limited information on their manufacturing energy and economic impacts owing to the lack of recurrent upgradation of proprietary IC manufacturing process data. In this work, economic and life cycle energy assessments (LCAs) of IC manufacturing and assembly processes were conducted using the latest bill of materials (BOM) manufacturing data in a state-of-the-art IC manufacturing cost software tool developed by IC Knowledge, LLC. IC manufacturing cost was estimated to be $\$$1.00-$\$$5.00/cm 2 ; the high-end cost represents the most advanced 3D NAND IC technology with the Wafer Level Chip Scale Package cost of $4/cm 2 . Total cumulative energy demand (CED) estimates of IC manufacturing using the OpenLCA software ranged from 9 to 38 MJ/cm 2 or 56–235 BJ/month with the largest share (~ 75%) from on-site energy. The IC manufacturing CED is projected to increase with the progress in IC technology node, which has increased by more than two times for technology node evolution from 110 to 14 nm. Furthermore, the representative detailed BOM data were considered to reduce the CED uncertainties of the estimated standard deviation of 35%- 42%.

97 MATHEMATICS AND COMPUTING↗

Multioutput Convolutional Neural Network for Improved Parameter Extraction in Time-Resolved Electrostatic Force Microscopy Data

Time-resolved scanning probe microscopy methods, like time-resolved electrostatic force microscopy (trEFM), enable imaging of dynamic processes ranging from ion motion in batteries to electronic dynamics in microstructured thin film semiconductors for solar cells. Reconstructing the underlying physical dynamics from these techniques can be challenging due to the interplay of cantilever physics with the actual transient kinetics of interest in the resulting signal. Previously, quantitative trEFM used empirical calibration of the cantilever or feed-forward neural networks trained on simulated data to extract the physical dynamics of interest. Both these approaches are limited by interpreting the underlying signal as a single exponential function, which serves as an approximation but does not adequately reflect many realistic systems. Here, we present a multi-branched, multi-output convolutional neural network (CNN) that uses the trEFM signal in addition to the physical cantilever parameters as input. The trained CNN accurately extracts parameters describing both single-exponential and bi-exponential underlying functions, and more accurately reconstructs real experimental data in the presence of noise. This article demonstrates an application of physics-informed machine learning to complex signal processing tasks, enabling more efficient and accurate analysis of trEFM.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Connectivity between Static Field and Continuous Wave Field Effects on Excitation-Induced H 2 Activation

Due to the tremendous applications of the plasmon resonance excitation process, such as improvements in catalytic efficiency due to plasmonic enhancement and/or hot-electron processes, understanding the mechanism behind these processes has become a popular topic in recent years. In this work, we focus on unraveling the mechanism of excitation-induced H 2 activation using a simplified triangular Au 6 /Ag 6 cluster to investigate the effects of the electric field on electron redistribution and bond activation. We applied both static and continuous wave fields to investigate how these fields affect the systems. Geometrical changes (such as bond lengthening), molecular orbital reordering (affecting the relative energies of orbitals corresponding to hot-electron and charge-transfer excited states), and electronic charge redistribution between the cluster and the adsorbate occur upon application of a static electric field. To study H 2 activation, we apply Ehrenfest dynamics with real-time time-dependent density functional theory and examine how different excitation frequencies and polarizations affect bond activation. Moreover, electron-only dynamics are examined with real-time time-dependent density functional theory, and the time-dependent variations in the orbital populations and electronic transitions provide information about the excitation and relaxation processes of hot electrons with applied electric fields. Here, the static field results represent structures that can be accessed during the evolution of the systems when applying continuous wave fields. Through these studies, the effects of static and continuous wave field effects on plasmon-induced H 2 activation can be understood.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Stable isotopes contain substantial additive information about terrestrial carbon and water cycling

Abstract Stable isotope ratios of H ( δ 2 H ), O ( δ 18 O), and C ( δ 13 C) are linked to key biogeochemical processes of the water and carbon cycles; however, the degree to which isotope-associated processes are reflected in macroscale ecosystem flux observations remains unquantified. Here through formal information assessment, new measurements of δ 13 C of net ecosystem exchange ( NEE ) as well as δ 2 H and δ 18 O of latent heat ( LH ) fluxes across the United States National Ecological Observation Network (NEON) are used to determine conditions under which isotope measurements are informative of environmental exchanges. We find all three isotopic datasets individually contain comparable amounts of information about NEE and LH fluxes as wind speed observations. Such information from isotope measurements, however, is largely unique. Generally, δ 13 C provides more information about LH as aridity increases or mean annual precipitation decreases. δ 2 H provides more information about LH as temperatures or mean annual precipitation decreases, and also provides more information about NEE as temperatures decrease. Overall, we show that the stable isotope datasets collected by NEON contribute non-trivial amounts of new information about bulk environmental fluxes useful for interpreting biogeochemical and ecohydrological processes at landscape scales. However, the utility of this new information varies with environmental conditions at continental scales. This study provides an approach for quantifying the value adding non-traditional sensing approaches to environmental monitoring sites and the patterns identified here are expected to aid in modeling and data interpretation efforts focused on constraining carbon and water cycles’ mechanisms.

54 ENVIRONMENTAL SCIENCES↗

Multi-Omics Reveals Temporal Scales of Carbon Metabolism in Synechococcus Elongatus PCC 7942 Under Light Disturbance

Central carbon metabolism in model cyanobacteria involves multiple pathways to adapt to energy-light limitations across diel cycles. However, the success in mechanistic modeling for phenotypic prediction of the protein regulators in the metabolic state depends on capturing the vast possibilities emerging from multiple regulatory pathways in complex biological processes. Here, we developed a physics-informed machine learning approach based on energy-landscape concepts to predict regulatory proteins responding to cyclic circadian and unforeseen light perturbations in cyanobacterial metabolic networks. Our approach provides interpretable de novo models for inferring gene expression dynamics from Synechococcus elongatus over diel cycles and using redox proteome analysis to distinguish immediate light-responsive elements from circadian-regulated processes in carbon metabolism pathways. We identified distinct temporal signatures with the analysis of the redox proteome: there was an immediate shift in cysteine redox states accompanied by a limited change in protein abundance under constant illumination and after 2 hours of darkness. This discovery indicates that the generation of reductants coordinates photoinduced electron transport with redox metabolic pathways in two discernable molecular mechanisms: fast redox-based protein modifications occur immediately after the light disturbance, followed by slow transcriptional regulations across networks. This temporal regulation reveals how metabolic networks integrate rapid light responses with programmed circadian rhythms to maintain cellular homeostasis under the light-energy limitations over the diel cycle.

Biomolecular & subcellular processes↗

A System Dynamics Model of Early-Stage Transition Dynamics in the Bioproducts Industry

The U.S. Department of Energy, Bioenergy Technologies Office has a broad understanding of different conversion processes that produce bioproducts (chemicals derived from biomass feedstocks) and the techno-economic attributes of those processes. However, bioproducts have in many cases proven to be difficult to scale up to commercial production, and there is currently a need for greater understanding around the possible successful scenarios for advancing the bioproducts industry. Insight into the myriad factors that impact the success of individual bioproducts and the growth of the bioproducts industry will enable bioproduct stakeholders to evaluate strategies for development and investment that could achieve the greatest impact. An understanding of these factors will also enable the identification of synergies between the bioproducts and biofuels industries that occur through shared learning and co-production. The Bioproduct Transition Dynamics (BTD) model explores questions such as the following: what are the factors that separate a successful, commercially produced bioproduct like succinic acid from one that never progresses beyond bench-scale lab research? Can these factors be influenced by stakeholders, and to what extent? The BTD model uses system dynamics to capture the impacts of investor decision-making, bioproduct techno-economics, and end use factors during the early stages of bioproduct development. Key components of the BTD model include techno-economic benchmarks that inform the investor decision-making process, failures and setbacks in development and the resulting need for additional work, and the impacts of effective or ineffective management during each development stage. These factors and their interactions are tracked through bench-scale laboratory research, piloting, demoing, and the construction and operation of the first commercial-scale plant. Bioproduct development is linked to the biofuels industry through a shared-learning model, enabling the benefit to biofuels from bioproduct technology and feedstock supply chain development to be quantified. A wide variety of bioproducts can be analyzed using the BTD model, including bioproducts that have been developed through economic or policy-driven mechanisms, and those with either niche (low volume) or scalable (high volume) demand. The BTD model also has the potential to apply to technology development processes outside the bioproducts industry; background research performed for this project has shown that the early stages of technology development are similar, and impacted by similar factors, regardless of the exact industry. This presentation will cover the BTD model logic, input data, validation process, and results of a sensitivity analysis based on techno-economic data for succinic acid. The sensitivity analysis was performed to identify factors with the largest impact on the eventual success or failure of a bioproduct. Results indicate that management effectiveness, which affects how efficiently money spent is converted into technological advancements, is the single most important factor in determining whether a bioproduct reaches commercial-scale production. The capacity of the first commercial plant and the type of biomass feedstock used, as well as the presence of government support in the form of cost-sharing, were also identified as significant factors.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Introduction to the Bioproduct Transition Dynamics Model

The U.S. Department of Energy, Bioenergy Technologies Office has a broad understanding of different conversion processes that produce bioproducts (chemicals derived from biomass feedstocks) and the market attributes of those processes. However, bioproducts have in many cases proven to be difficult to scale up to commercial production and bring to market, and there is currently a need for greater understanding around the possible successful scenarios for advancing the bioproducts industry. Insight into the myriad factors that impact the success of individual bioproducts and the growth of the bioproducts industry will enable bioproduct stakeholders to evaluate strategies for development and investment that could achieve the greatest impact. An understanding of these factors will also enable the identification of synergies between the bioproducts and biofuels industries that occur through shared learning and co-production. The Bioproduct Transition Dynamics (BTD) model explores questions such as the following: what are the factors that separate a successful, commercially produced bioproduct like succinic acid from one that never progresses beyond bench-scale lab research? Can these factors be influenced by stakeholders, and to what extent? The BTD model uses system dynamics to capture the impacts of investor decision-making, bioproduct techno-economics, and market factors during the early stages of bioproduct development. Key components of the BTD model include techno-economic benchmarks that inform the investor decision-making process, failures and setbacks in development and the resulting need for additional work, and the impacts of effective or ineffective management during each development stage. These factors and their interactions are tracked through bench-scale laboratory research, piloting, demoing, and the construction and operation of the first commercial-scale plant. Bioproduct development is linked to the biofuels industry through a shared-learning model, enabling the benefit to biofuels from bioproduct technology and feedstock supply chain development to be quantified. A wide variety of bioproducts can be analyzed using the BTD model, including bioproducts that have been developed through economic or policy-driven mechanisms, and those with either niche (low volume) or scalable (high volume) markets. The BTD model also has the potential to apply to technology development processes outside the bioproducts industry; background research performed for this project has shown that the early stages of technology development are similar, and impacted by similar factors, regardless of the exact industry. This presentation will cover the BTD model logic, input data, validation process, and results of a sensitivity analysis based on techno-economic data for succinic acid. The sensitivity analysis was performed to identify factors with the largest impact on the eventual success or failure of a bioproduct. Results indicate that management effectiveness, which affects how efficiently money spent is converted into technological advancements, is the single most important factor in determining whether a bioproduct reaches commercial-scale production. The capacity of the first commercial plant and the type of biomass feedstock used, as well as the presence of government support in the form of cost-sharing, were also identified as significant factors.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Integrated GW Farm ABM

This Data Repository includes data used for the integrated groundwater- farm ABM model, raw model output from scenario ensemble, and processed outputs that isolate the groundwater storage depletion outcomes for the 35,000 farm cells. Model Inputs: Farm ABM Inputs: This folder contains the input data used by the integrated groundwater - farm ABM modelling script (Python file) used for the high performance computing (HPC) experiments. The sub-folder "data inputs" contains all of the farm attribute data, while the three files in the folder have the hydrogeological data lookup table (NLDAS Cost Curve Attributes.csv), a lookup table (Theis well function table.csv) for the groundwater cost curve function, and the farm indexes and corresponding NLDAS ids for all of the cells run in this experiment (nldas farms subset final.csv). NLDAS Cost curve hydrogeological data: Hydrogeological data aggregated to 1/8 degree resolution and aligned with the NLDAS grid. Parameters include: water depth below ground surface [meters], subsurface porosity [unitless], aquifer depth from ground surface to aquifer bottom [meters], annual average recharge (USGS: mm, Doll: meters), and three different hydraulic conductivity (K) values (meters/day). The three K values represent the mean value from Gleeson et al. (2018), one standard deviation above the mean from Gleeson et al. (2018), and the de Graaf et al. 2020 modifications to certain lithologies. Additional information about these datasets and their processing are documented in the supplement to Yoon et al. 2025 (in review). Output: Raw outputs: This folder contains a .zip file that has model outputs for the entire scenario ensemble. There is one csv for each farm id, using the format "farm farmid cases.csv". The relationship between the farm id and NLDAS id is defined by the "nldas farms subset final.csv" located in the Farm ABM Inputs folder. Each csv has 625 rows, corresponding to 625 combinations of different scenario parameter values. Each row (scenario) represents the outcome of a 100 year simulation. Columns define scenario settings and summary statistics for each scenario. The first four columns define the scenario settings: "hydro ratio," "econ ratio," "K scenario," and "gamma scenario." The hydro and econ ratios are values passed to the modeling script that influence multipliers for other model parameters, as documented in the supplement to Yoon et al. 2025 (in review). The gamma multiplier is a coefficient multiplier applied to the baseline gamma values (values below 1 represent lower unobserved costs compared to baseline, values above 1 represent higher costs). The K scenario names represent K values of: "low": 0.5 m/d, "int 1": 2.5 m/d, "int 2": 10 m/d, "high": 50 m/d, and "gleeson": mean Gleeson K value. "Perc vol depleted" is the fraction of groundwater depleted at the end of the 100 simulation. Processed Output: Derived depletion outcomes from raw outputs: All of the individual csv files from the Raw outputs were aggregated into a single file that has the scenario settings and fraction depletion "Perc vol depleted" for every farm cell, for every scenario. The other two files define relationships between the farm id, NLDAS id, and local and major aquifer units, used for aquifer-level depletion analysis.

Agent based modeling↗

Environmental vulnerability assessment using Grey Analytic Hierarchy Process based model

Environmental management of an area describes a policy for its systematic and sustainable environmental protection. In the present study, regional environmental vulnerability assessment in Hirakud command area of Odisha, India is envisaged based on Grey Analytic Hierarchy Process method (Grey–AHP) using integrated remote sensing (RS) and geographic information system (GIS) techniques. Grey–AHP combines the advantages of classical analytic hierarchy process (AHP) and grey clustering method for accurate estimation of weight coefficients. It is a new method for environmental vulnerability assessment. Environmental vulnerability index (EVI) uses natural, environmental and human impact related factors, e.g., soil, geology, elevation, slope, rainfall, temperature, wind speed, normalized difference vegetation index, drainage density, crop intensity, agricultural DRASTIC value, population density and road density. EVI map has been classified into four environmental vulnerability zones (EVZs) namely: ‘low’, ‘moderate’ ‘high’, and ‘extreme’ encompassing 17.87%, 44.44%, 27.81% and 9.88% of the study area, respectively. EVI map indicates that the northern part of the study area is more vulnerable from an environmental point of view. EVI map shows close correlation with elevation. Effectiveness of the zone classification is evaluated by using grey clustering method. General effectiveness is in between “better” and “common classes”. This analysis demonstrates the potential applicability of the methodology. - Highlights: • Environmental vulnerability zone identification based on Grey Analytic Hierarchy Process (AHP) • The effectiveness evaluation by means of a grey clustering method with support from AHP • Use of grey approach eliminates the excessive dependency on the experience of experts.

54 ENVIRONMENTAL SCIENCES↗

Special Analyses for the Hanford Integrated Disposal Facility Performance Assessment - 20102

In 2014, the Department of Energy (DOE) Office of River Protection and its contractors began to develop a performance assessment for the near-surface disposal of low-level and mixed low-level waste at the Hanford Site's Integrated Disposal Facility (IDF). The IDF is a doubly-lined landfill that was constructed between 2004 and 2006 to be the disposal facility for the vitrified low-activity waste that will be produced at the Waste Treatment and Immobilization Plant (WTP). IDF is also expected to receive solid secondary waste produced at the WTP and other solid wastes from site activities. The IDF has been in a preoperational state awaiting authorization from DOE and a RCRA permit modification from the State of Washington Department of Ecology to receive waste. Both the Disposal Authorization Statement and permit modification require a performance assessment demonstrating that the system of engineered and natural features will limit releases of radionuclides and hazardous chemicals from the IDF and be protective of human health and the environment. The simulated duration is 10,000 years. Based on the analyses presented in the 2017 Integrated Disposal Facility Performance Assessment, DOE issued a conditional Operating Disposal Authorization Statement for the IDF in June 2018. The long-term performance of the IDF to be protective of human health and the environment was evaluated under the requirements of DOE Order 435.1, Radioactive Waste Management. Computer simulations were performed to evaluate whether or not the IDF would comply with DOE requirements. In the time that has passed since the performance assessment was approved by DOE, new information has been discovered that had not been considered in the performance assessment. Since this new information has not been evaluated, the potential impact of the changes have not been taken into consideration in DoE's disposal authorization. DOE and its contractors follow a change control process to screen and, when necessary, evaluate new information that could potentially impact the conclusions of the completed performance assessment. This paper will describe the change control process and provide two examples of evaluations performed following the change control process. The first example evaluates a new waste form for liquid secondary waste that was not evaluated in the performance assessment. In the performance assessment, liquid secondary waste was assumed to be solidified with grout. A new recommendation to dispose of the liquid secondary waste after drying it to a powder was evaluated. The second example evaluates inventory implications from changes to the flow sheet that estimates the feed composition to the low-activity waste vitrification facility. The changes result in higher strontium concentrations in the vitrified waste stream. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Mechanical Characterization and Corrosion Testing of X608 Al Alloy

This paper describes the mechanical characterization and corrosion testing of X608 Al alloy that is being considered for A-pillar covers for heavy-duty truck applications. Recently, PNNL developed a thermo-mechanical process to stamp A-pillar covers at room temperature using this alloy, and the full-size prototype was successfully stamped by a tier-1 supplier. This study was conducted to obtain additional important information related to the newly developed forming process, and to further improve its mechanical properties. The solutionization temperature, pre-strain and paint-bake heat-treatment were found to influence the alloy’s fabricability and mechanical properties. Natural aging effect on the formability was investigated by limiting dome height (LDH) tests. Preliminary corrosion experiments showed that the employed thermo-mechanical treatments did not significantly affect the corrosion behavior of Al X608.

A-pillar cover↗

Twenty Years of Collaborative Materials Exercises by the Nuclear Forensics International Technical Working Group

The Collaborative Materials Exercise (CMX) series are a critical mechanism used to advance the ITWG's mission of identifying, developing and promoting the best practices of nuclear forensics. These exercises are not designed to test laboratory performance, but as learning experiences that provide opportunities for participants to test and demonstrate state-of-the-practice to the global scientific and law enforcement communities. They are run as mock nuclear forensic investigations under realistic scenarios, with timelines and conditions designed to mimic actual operations. These situations provide the relatively unique opportunity for the appropriate governmental agencies to exercise their collective response to a nuclear security incident. Utilizing well-characterized materials of a known history and origin that are taken from specific process locations within the nuclear fuel cycle, these 'real world' materials are used to fully consider the potential significance of process-derived heterogeneities and characteristics that might be used by investigators to derive useful information such as intended use, point of loss of control, process history or origin. While individual laboratory results are kept confidential, a summary of the major outcomes of each exercise is published in the open literature. The ITWG has carried out six CMXs since 1999. The sixth (CMX-6) and largest (21 participants) was completed in June 2019. Each CMX has contributed demonstrably to advancements in the state of practice and the emergence of novel techniques in nuclear forensic science.

Schwantes, Jon M.↗

Challenges in studying water fluxes within the soil-plant-atmosphere continuum: A tracer-based perspective on pathways to progress

Tracing and quantifying water fluxes in the hydrological cycle is crucial for understanding the current state of ecohydrological systems and their vulnerability to environmental change. Especially the interface between ecosystems and the atmosphere that is strongly mediated by plants is important to meaningfully describe ecohydrological system functioning. Many of the dynamic interactions generated by water fluxes between soil, plant and the atmosphere are not well understood, which is partly due to a lack of interdisciplinary research. This opinion paper reflects the outcome of a discussion among hydrologists, plant ecophysiologists and soil scientists on open questions and new opportunities for collaborative research on the topic "water fluxes in the soil-plant-atmosphere continuum" especially focusing on environmental and artificial tracers. We emphasize the need for a multi-scale experimental approach, where a hypothesis is tested at multiple spatial scales and under diverse environmental conditions to better describe the small-scale processes (i.e., causes) that lead to large-scale patterns of ecosystem functioning (i.e., consequences). Novel in-situ, high-frequency measurement techniques offer the opportunity to sample data at a high spatial and temporal resolution needed to understand the underlying processes. Here we advocate for a combination of long-term natural abundance measurements and event-based approaches. Multiple environmental and artificial tracers, such as stable isotopes, and a suite of experimental and analytical approaches should be combined to complement information gained by different methods. Virtual experiments using process-based models should be used to inform sampling campaigns and field experiments, e.g., to improve experimental designs and to simulate experimental outcomes. On the other hand, experimental data are a pre-requisite to improve our currently incomplete models. Interdisciplinary collaboration will help to overcome research gaps that overlap across different earth system science fields and help to generate a more holistic view of water fluxes between soil, plant and atmosphere in diverse ecosystems.

54 ENVIRONMENTAL SCIENCES↗