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At least 523 records · Page 29

VADER: A Tool for Criticality Safety Validation

The purpose of criticality safety is to prevent any inadvertent criticality from occurring during the handling or storage of fissile material. Calculations are frequently used to demonstrate that a sufficient subcritical margin exists. Validation is a key aspect of the evaluation process, establishing the suitability, accuracy, and associated uncertainty of the computational method and data to be used for the intended application. The validation process is performed by comparing the results of critical experiments with the calculated results from models of the experiments using the computational method to be validated. Laboratory critical experiments are controlled systems that achieve a k eff of approximately 1 in order to investigate the parameters at which such a critical condition is achieved. The validation parameters that are traditionally applied to safety analysis calculations are the bias and the bias uncertainty . The bias is the deviation of the average k eff of the validation suite from unity. The bias uncertainty accounts for the statistical uncertainty in the bias based on the standard deviation, sample size, and distribution of k eff values of the validation suite. The values of bias and bias uncertainty ensure that the systems predicted to be subcritical by the computational method will indeed be subcritical. The bias and bias uncertainty are often combined to determine an upper subcritical limit (USL) or computational margin that can then be applied to safety analysis calculations. Many methods have been developed by different organizations to calculate the bias and bias uncertainty for various types of criticality analyses. Each of these methods typically requires that the validity of various underpinning statistical assumptions be confirmed to demonstrate that the method is appropriate for the analysis of a given validation suite. An example of the validation decision making flow is shown in Fig.1. As shown in Fig. 1, the analyst performing the validation fits a trend line to the data and performs a test to determine if the trend was a statistically better representation of the data than if it were treated as an uncorrelated sample. If the trend line is a better representation of the data, then the analyst uses any one of a number of trending techniques to determine the bias and bias uncertainty. If a trend is not an appropriate representation of the data, then the analyst proceeds to perform a normality assessment for the data. If the normal assumption can be shown to be acceptable, then the analyst calculates the bias and bias uncertainty with the parametric technique. If the assumption of normality cannot be justified, then the nonparametric technique is used. Once the decision flow has been followed and the appropriate technique has been selected, the bias and bias uncertainty is typically combined with an administrative margin to determine a USL below which calculated values of k eff for safety analysis models can be considered subcritical. The calculations used in each decision are often performed with spreadsheets or with small programs available at various sites performing criticality analyses. Expertise in understanding and interpreting the results must be maintained to perform these calculations. This can often be an error-prone process. Oak Ridge National Laboratory (ORNL) is currently developing the Validation and Data Evaluation Resource (VADER) to simplify and automate the criticality safety validation process and to provide a software quality assurance pedigree to the calculational methods used. This paper discusses the use of the Fulcrum user interface with VADER, the anticipated initial capabilities of VADER to perform validation analyses, and the output from the code.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Real‐time XFEL data analysis at SLAC and NERSC: A trial run of nascent exascale experimental data analysis

X‐ray scattering experiments using free electron lasers (XFELs) are a powerful tool to determine the molecular structure and function of unknown samples (such as COVID‐19 viral proteins). XFEL experiments are a challenge to computing in two ways: (i) due to the high cost of running XFELs, a fast turnaround time from data acquisition to data analysis is essential to make informed decisions on experimental protocols; (ii) data‐collection rates are growing exponentially, requiring new scalable algorithms. Here we report our experiences analyzing data from two experiments at the Linac Coherent Light Source (LCLS) during September 2020. Raw data were analyzed on NERSC's Cori XC40 system, using the Superfacility paradigm: our workflow automatically moves raw data between LCLS and NERSC, where it is analyzed using the software package CCTBX. We achieved real time data analysis with a turnaround time from data acquisition to full molecular reconstruction in as little as 10 min—sufficient time for the experiment's operators to make informed decisions. By hosting the data analysis on Cori, and by automating LCLS‐NERSC interoperability, we achieved a data analysis rate which matches the data acquisition rate. Completing data analysis within 10 min is a first for XFEL experiments and an important milestone if we are to keep up with data‐collection trends.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Data Mining and Visualization of High-Dimensional ICME Data for Additive Manufacturing

Integrated computational materials engineering (ICME) methods combining CALPHAD with process-based simulations can produce rich, high-dimensional data for alloy and process design. In ICME methods for metallurgical applications, the visualization and interpretation of such high-dimensional data has previously been through heat maps represented in 2 or 3 dimensions. While such an approach is ideal when one variable is varied at a time, in the case of high-dimensional data with multiple variables varied simultaneously, as is the case in additive manufacturing, interpreting the trends through two- or three-dimensional heat maps becomes challenging. Here, we propose a strategy of mixed visual data mining and quantitative analysis for high-dimensional metallurgical and process data using high-throughput thermodynamic calculations. Two case studies show the application of the proposed approach. The first case study investigated the effects of feedstock chemistry on the δ ferrite formation in 316L stainless steel powders used for binder jet additive manufacturing. The second case study linked Scheil–Gulliver calculations to a process model for dissimilar joining of aluminum alloys 5356 and 6111 during laser hot-wire additive manufacturing. Both cases contained thousands of calculated data points, showcasing the utility of visual data analysis through parallel coordinate plotting, Pearson correlation coefficient matrices, and scatter matrices compared to traditional process maps. These visualization techniques can be extended to many additive manufacturing problems to capture process–structure–property relationships for additively manufactured components.

36 MATERIALS SCIENCE↗

A phenology- and trend-based approach for accurate mapping of sea-level driven coastal forest retreat

The rapid replacement of upland forest by encroaching marshland is a striking manifestation of global sea-level rise (SLR). Timely and high-resolution information on the location and extent of transition forest (the ecotone between upland forest and marsh where tree mortality due to seawater intrusion begins) is fundamental to understanding the processes and patterns of SLR-driven landscape reorganization. Despite its significance, accurate characterization of salt-impacted transition forest remains challenging due to the complexity of coastal environments, scarcity of ground-truth data, and the lack of effective mapping algorithms. Here we use the full archive of Landsat images between 1984 and 2021 to investigate the spectral, temporal, and phenological characteristics of transition forest, and develop a robust framework for monitoring coastal vegetation shifts in the mid-Atlantic U.S., a global SLR hotspot. Here, we found that transition forest exhibits strong negative NDVI trends and a deviation of land surface phenology from marsh and upland forest that distinguishes itself from surrounding vegetation. By integrating temporal trends and land surface phenology, our results demonstrate superior discrimination between marsh and coastal forests to existing map products (e.g. NOAA Coastal Change Analysis Program, National Land Cover Database) that allows a reliable identification of the coastal treeline. We applied the approach to map regional land cover in 1985, 2000 and 2020 (overall classification accuracy >92%) and found that the area of coastal forest decreased by 22.0% from 1985 to 2020, the majority of which transitioned to marshland (92.3%, 5.3 × 10 3 ha). Based upon fine-scale patterns of coastal transgression, we created a practical workflow for spatially explicit quantification of forest retreat rates. Concurrent with rising sea level, coastal forests migrated upslope from 0.63 (± 0.27) m above sea level in 1985 to 0.78 (± 0.32) m above sea level in 2020, and horizontal forest retreat rates accelerated from 3.1 (range of 0–36) m yr -1 during 1985–2000 to 4.7 (0–55) m yr -1 during 2001–2020. As SLR continues to accelerate, our study may serve as a scalable solution for consistent tracking of coastal landscape evolution that is urgently needed for sustainable forest and wetland management.

54 ENVIRONMENTAL SCIENCES↗

Ion Clusters Reveal the Sources, Impacts, and Drivers of Freshwater Salinization

Population growth, land use change, climate change, and natural resource extraction are driving the salinization of freshwater resources worldwide. Reversing these trends will require data-centric approaches that identify salt sources, environmental drivers, and ecosystem responses. In this study, we applied principal component analysis and hierarchical clustering to identify ion covariance patterns, or “ion clusters,” in Broad Run, an urban stream in the Mid-Atlantic United States. These clusters correspond to distinct hydrologic regimes and reveal specific salinization risks: (1) phosphorus pollution mobilized during summer storms (Cluster 1); (2) elevated concentrations of sulfate and bicarbonate during baseflow (Cluster 2), likely reflecting groundwater discharge; and (3) elevated specific conductance and sodium, chloride, and potassium ion concentrations during snowmelt and rain-on-snow events (Cluster 3), driven by deicer and anti-icer wash-off. These ion fingerprints offer a transferable framework for diagnosing salt sources, assessing ecological risk, and identifying management targets. Our findings underscore the need for next-generation stormwater infrastructure and smart growth policies to protect aquatic life in rapidly urbanizing watersheds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Response of Summertime Organic Aerosol Composition to Emission Controls in the Northeastern United States

The responses of secondary organic aerosols (SOA) to emission controls remain uncertain due to the limited continuous long‐term measurements. Measurements of detailed carbonaceous aerosol composition in the New York City metropolitan region during the summers of 2001, 2009, 2011, and 2018 provide a look at the changes in summertime SOA over the past two decades when significant pollution reduction and emission controls occurred in the northeastern United States. Here, we show that the averaged nighttime SOA, especially the fresh local SOA, extreme mass concentrations resulted from anthropogenic volatile organic compounds reductions, while there is a little trend for the regional aged SOA. Meanwhile, these fresh SOA extremes occurred most often under conditions of high relative humidity during nighttime. The analysis presented here provides a comprehensive evaluation of the evolution of the increasingly important organic component of the submicron ambient aerosols in this major metropolitan area.

Zhang, Jie↗

Appearance versus disappearance of broad absorption line troughs in quasars

ABSTRACT We present a new set of 84 broad absorption line (BAL) quasars (1.7 < zem < 4.4) exhibiting an appearance of C iv BAL troughs over 0.3–4.8 rest-frame years by comparing the Sloan Digital Sky Survey Data Release (SDSSDR)-7, SDSSDR-12, and SDSSDR-14 quasar catalogues. We contrast the nature of BAL variability in this appearing BAL quasar sample with a disappearing BAL quasar sample studied in the literature by comparing the quasar’s intrinsic, BAL trough, and continuum parameters between the two samples. We find that appearing BAL quasars have relatively higher redshift and smaller probed time-scales as compared to the disappearing BAL quasars. To mitigate the effect of any redshift bias, we created control samples of appearing and disappearing BAL quasars that have similar redshift distribution. We find that the appearing BAL quasars are relatively brighter and have shallower and wider BAL troughs compared to the disappearing BAL sample. The distribution of quasar continuum variability parameters between the two samples is clearly separated, with the appearance of the BAL troughs being accompanied by the dimming of the continuum and vice versa. Spectral index variations in the two samples also point to the anticorrelation between the BAL trough and continuum variations consistent with the ‘bluer when brighter’ trend in quasars. We show that the intrinsic dust model is less likely to be a favourable scenario in explaining BAL appearance/disappearance. Our analysis suggests that the extreme variations of BAL troughs like BAL appearance/disappearance are mainly driven by changes in the ionization conditions of the absorbing gas.

Mishra, Sapna↗

Socioeconomic Effects of Pension Spending: Evidence from Spain

The purpose of this study is to provide broader understanding of the significant role that the pension system has in the Spanish economy by estimating the sectoral production, employment and income sustained by pensioners' consumption. Based on input-output tables by the World Input-Output Database and consumption data from the Household Budget Survey by the Spanish Statistical Office, a demoeconomic model is applied to quantify the direct impacts, indirect impacts from interindustry links and induced impacts from income-consumption connections over a nine-year period (2006–2014). Then, the factors driving the evolution of total output, employment and value added during such period have been examined by using structural decomposition analysis. The growing participation of consumption by pensioner households in final demand had proven crucial during the 2008 crisis to alleviate the negative trend in production and employment derived from the collapse in consumption suffered by the rest of households. Determining the underlying factors driving changes in both employment and income during the 2008 crisis can be of interest in political decision-making on the sustainability of the Spanish pension system. The results of estimating both the employment and income supported by pensioners' consumption reveal the significant stabilizing effect of the public spending on pensions, particularly during the 2008 crisis. The current Spanish approach of attaining the pension system sustainability by merely reducing social protection costs ignores the adverse consequences of a lower pensioners' demand. This paper addresses an alternative view in which pension spending is not considered a burden on economic growth but rather a means of improving the level of production and employment.

employment↗

Wildfire‐induced increases in photosynthesis in boreal forest ecosystems of North America

Abstract Observations of the annual cycle of atmospheric CO 2 in high northern latitudes provide evidence for an increase in terrestrial metabolism in Arctic tundra and boreal forest ecosystems. However, the mechanisms driving these changes are not yet fully understood. One proposed hypothesis is that ecological change from disturbance, such as wildfire, could increase the magnitude and change the phase of net ecosystem exchange through shifts in plant community composition. Yet, little quantitative work has evaluated this potential mechanism at a regional scale. Here we investigate how fire disturbance influences landscape‐level patterns of photosynthesis across western boreal North America. We use Alaska and Canadian large fire databases to identify the perimeters of wildfires, a Landsat‐derived land cover time series to characterize plant functional types (PFTs), and solar‐induced fluorescence (SIF) from the Orbiting Carbon Observatory‐2 (OCO‐2) as a proxy for photosynthesis. We analyze these datasets to characterize post‐fire changes in plant succession and photosynthetic activity using a space‐for‐time approach. We find that increases in herbaceous and sparse vegetation, shrub, and deciduous broadleaf forest PFTs during mid‐succession yield enhancements in SIF by 8–40% during June and July for 2‐ to 59‐year stands relative to pre‐fire controls. From the analysis of post‐fire land cover changes within individual ecoregions and modeling, we identify two mechanisms by which fires contribute to long‐term trends in SIF. First, increases in annual burning are shifting the stand age distribution, leading to increases in the abundance of shrubs and deciduous broadleaf forests that have considerably higher SIF during early‐ and mid‐summer. Second, fire appears to facilitate a long‐term shift from evergreen conifer to broadleaf deciduous forest in the Boreal Plain ecoregion. These findings suggest that increasing fire can contribute substantially to positive trends in seasonal CO 2 exchange without a close coupling to long‐term increases in carbon storage.

Biodiversity & Conservation↗

Bridging Equipment Reliability Data and Robust Decisions in a Plant Operation Context

In order to reduce operation and maintenance (O&M) costs, nuclear power plants (NPPs) are moving from corrective and periodic maintenance to predictive maintenance strategies. Such transition requires changes on the data that needs to be retrieved and on the type of decision processes to be employed. Advanced monitoring and data analysis technologies are essential to support predictive strategies. They can in fact provide precise information about health of a component, track its degradation trends, and provide information of its expected failure time. With such information, maintenance operations for a component can be performed right before its expected failure time. This dynamic context of O&M operations requires new methods to analyze data, propagate component health information from the component to the system level, and optimize plant resources. In this respect, the risk informed asset management (RIAM) project has been tasked to develop and test this new class of methods into a risk analytics toolset. This toolset consists of data analytics tools coupled with reliability methods designed to manage plant assets and performances in a predictive maintenance context. This report shows the latest improvements on such development and the initial testing of our methods on the three main research areas that the RIAM project is focusing on. These areas are the following: equipment reliability data analytics, system reliability modeling, and plant resources optimization methods. We show how the methods developed in these areas can support predictive maintenance strategies by: 1) analyzing equipment reliability data (either in numeric and textual form), 2) assessing component and system health through an innovative margin-based reliability approach, and 3) identifying the most critical components and set optimal maintenance schedule based on plant economic and operational constraints.

97 MATHEMATICS AND COMPUTING↗

The Milky Way Revealed by Variable Stars. I. Sample Selection of RR Lyrae Stars and Evidence for Merger History

In order to study the Milky Way, RR Lyrae (RRL) variable stars identified by Gaia, ASAS-SN, and ZTF sky survey projects have been analyzed as tracers in this work. Photometric and spectroscopic information of 3417 RRLs including proper motions, radial velocity, and metallcity are obtained from observational data of Gaia, LAMOST, GALAH, APOGEE, and RAVE. Precise distances of RRLs with typical uncertainties less than 3% are derived by using a recent comprehensive period–luminosity–metallicity relation. Our results from kinematical and chemical analysis provide important clues for the assembly history of the Milky Way, especially for the Gaia–Sausage ancient merger. The kinematical and chemical trends found in this work are consistent with those of recent simulations that indicated that the Gaia–Sausage merger had a dual origin in the Galactic thick disk and halo. As recent similar works have found, the halo RRL sample in this work contains a subset of radially biased orbits besides a more isotropic component. This higher orbital anisotropy component amounts to β ≃ 0.8, and it contributes between 42% and 83% of the halo RRLs at 4 < R( kpc) < 20.

79 ASTRONOMY AND ASTROPHYSICS↗

Implications of AI and Data Center Service Demand on Energy, Water, and Economic Systems

This talk focuses on the challenges posed by the rapid growth of data centers (DCs), which rely heavily on electricity, water, land, and mineral resources, and have significant interactions with economic growth. The U.S. leads in DC deployment, but understanding how resource demands and constraints impact DC expansion requires strategic multisector analysis. To address this, the talk introduces a new conceptual framework and modeling capability within GCAM-USA, allowing integrated analysis of DC service demand, electricity, and direct and indirect water needs under varied scenarios. Insights include state-level water and electricity trends for DCs, uncertainty bounds, and the broader implications for resources and economics.

Data Centers↗

Real-Time XFEL Data Analysis at SLAC and NERSC: a Trial Run of Nascent Exascale Experimental Data Analysis

X-ray scattering experiments using Free Electron Lasers (XFELs) are a powerful tool to determine the molecular structure and function of unknown samples (such as COVID-19 viral proteins). XFEL experiments are a challenge to computing in two ways: i) due to the high cost of running XFELs, a fast turnaround time from data acquisition to data analysis is essential to make informed decisions on experimental protocols; ii) data collection rates are growing exponentially, requiring new scalable algorithms. Here we report our experiences analyzing data from two experiments at the Linac Coherent Light Source (LCLS) during September 2020. Raw data were analyzed on NERSC's Cori XC40 system, using the Superfacility paradigm: our workflow automatically moves raw data between LCLS and NERSC, where it is analyzed using the software package CCTBX. We achieved real time data analysis with a turnaround time from data acquisition to full molecular reconstruction in as little as 10 min -- sufficient time for the experiment's operators to make informed decisions. By hosting the data analysis on Cori, and by automating LCLS-NERSC interoperability, we achieved a data analysis rate which matches the data acquisition rate. Furthermore, completing data analysis with 10 mins is a first for XFEL experiments and an important milestone if we are to keep up with data collection trends.

Blaschke, Johannes P.↗

Ten questions on future and extreme weather data for building simulation and analysis in a changing climate

Weather plays a significant role in building operations as it directly influences HVAC loads and in turn the building energy and thermal performance. In a changing climate, future trends and extreme weather events become critical concerns in the global building decarbonization and clean energy transition. This paper aims to address ten key questions concerning extreme and future weather data for building applications, and more importantly to identify research gaps and guide the curation and selection of future and extreme weather data for use in building performance simulation and assessment. The paper intends to inform architects and engineers, operators, owners, policy makers, and other stakeholders on considering the impacts of future and extreme weather data and adopting strategies for selecting and applying this data in various use cases related to building design, operation, and retrofit for energy efficiency, electrification, and climate resilience.

Yan, Da↗

Netostat: analyzing dynamic flow patterns in high-speed networks

Understanding flow traffic patterns in networks, such as the Internet or service provider networks, is crucial to improving their design and building them robustly. However, as networks grow and become more complex, it is increasingly cumbersome and challenging to study how the many flow patterns, sizes and the continually changing source-destination pairs in the network evolve with time. Here, we present Netostat, a visualization-based network analysis tool that uses visual representation and a mathematics framework to study and capture flow patterns, using graph theoretical methods such as clustering, similarity and difference measures. Netostat generates an interactive graph of all traffic patterns in the network, to isolate key elements that can provide insights for traffic engineering. We present results for U.S. and European research networks, ESnet and GEANT, demonstrating network state changes, to identify major flow trends, potential points of failure, and bottlenecks.

97 MATHEMATICS AND COMPUTING↗

Cation Short-Range Ordering of MgAl 2 O 4 and NiAl 2 O 4 Spinel Oxides at High Temperatures via In Situ Neutron Total Scattering

Complex oxides that adopt the isometric spinel structure (AB 2 O 4 ) are important for numerous technological applications and are relevant for certain geological processes, which involve exposure to extreme environments such as high pressures and temperatures. Recent studies have shown that the changes to the spinel structure caused by these environments are complex and depend on the material length scale under consideration. In this study we have expanded this approach to the behavior of spinels under high temperature. In situ neutron total scattering experiments, coupled with pair distribution function analysis, performed on two spinel compositions with various levels of pre-existing disorder (MgAl 2 O 4 and NiAl 2 O 4 ) revealed that both compositions trend to a state of maximum disorder where the A and B cations are randomly distributed amongst the two available sites. Temperature-induced cation inversion, conventionally understood as exchange of cations on the A and B sites, is locally expressed as an atomic rearrangement to a tetragonal symmetry, a correlation that is retained up to the maximum temperature studied (1000 °C). Furthermore, a complex thermal expansion behavior is revealed wherein the oxide materials expand heterogeneously at the level of coordination polyhedral with an apparent dependence on bond strength.

36 MATERIALS SCIENCE↗

Plastic additives in the ocean: Use of a comprehensive dataset for meta-analysis and method development

In excess of 13,000 chemicals are added to plastics (‘additives’) to improve performance, durability, and production of plastic products. They are categorized into numerous chemical classes including flame retardants, light stabilizers, antioxidants, and plasticizers. While research on plastic additives in the marine environment has increased over the past decade, there is a lack of methodological standardization. To direct future measurement of plastic additives, we compiled a first-of-its-kind dataset of literature assessing plastic additives in marine environments, delineated by sample type (plastic debris, seawater, sediment, biota). Using this dataset, we performed a meta-analysis to summarize the state of the science. Currently, our dataset includes 217 publications published between 1978 and May 2023. The majority of publications analyzed plastic additives in biota collected from Europe and Asia. Analyses concentrated on plasticizers, brominated flame retardants, and bisphenols. Common sample preparation techniques included Solvent - Agitation extraction for plastic, sediment, and biota samples, and Solid Phase Extraction for seawater samples with dichloromethane and solvent mixtures including dichloromethane as the organic extraction solvent. Finally, most analyses were performed utilizing gas chromatography/mass spectrometry. There are a variety of data gaps illuminated by this meta-analysis, most notably the small number of compounds that have been targeted for detection compared to the large number of additives used in plastic production. The provided dataset facilitates future investigation of trends in plastic additive concentration data in the marine environment (allowing for comparison to toxicity thresholds) and acts as a starting point for optimizing and harmonizing plastic additive analytical methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Enhancing Nuclear and Radiological Security in Polarized Times: Safeguarding Against Extremist Insider Threats

Domestic violent extremism has been on the rise in recent years, fueled by growing political polarization, the COVID-19 pandemic, and the spread of misinformation online. This concerning trend raises an important question: has this increase in extremist violence manifested in more incidents involving radioactive or nuclear (RN) materials and a corresponding security concern? To explore this question, we analyzed existing data on events involving chemical, biological, radiological, or nuclear materials over time. Specifically, we examined the rate of RN-related incidents, the targets of these events, and the ideologies motivating the perpetrators by using the Violent Non-State Actor Chemical, Biological, Radiological, and Nuclear Event Database from the National Consortium for the Study of Terrorism and Responses to Terrorism. Our analysis aimed to determine whether the broader rise of violent extremism has translated to an elevated risk of attacks involving RN materials. Results of the analysis revealed that there was no clear increase in events involving RN material in the dataset. However, given the rarity of these events, this conclusion does not indicate that such a trend might not appear in coming years if violent extremism continues to rise. To address the potential risk presented by violent extremism, in addition to quantifying the frequency of RN events, we also reviewed traits that could make organizations more susceptible to insider threats from radicalized employees. Focusing on the literature around counterproductive workplace behavior, we identified organizational characteristics that might increase the risk of malicious acts committed by radicalized insiders. These risk factors include abusive leadership, situational constraints, and organizational injustice. Finally, using these organizational risk characteristics, we discuss interventions that organizations with RN material can take to reduce their risk of attacks stemming from violent extremism while still protecting individual rights to privacy and civil liberties. Overall, this article provides an overview of the intersections between rising domestic extremism, insider threats, and risks posed by RN materials. We present current data on trends and patterns in this space as well as practical guidance for organizational resilience.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗