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The presentation is a status report of activities undertaken by the five laboratories (LANL, BNL, LBNL, PNNL, and LLNL) that are a part of the Energy-Dependent FPY Project Funded.
Supercomputing systems are used for a wide range of computationally demanding tasks in many fields of science and engineering. They play a key role in numerical simulation, in which mathematical models are computed in order to simulate the behavior of physical systems. Scientists and engineers that use supercomputers for numerical simulation often have their productivity limited by the need to manually organize and manage extremely large amounts of data that are often produced and consumed by the software programs run on these systems. Recognizing these limitations, Kitware Inc. (Clifton Park, NY) and SLAC National Accelerator Laboratory (Menlo Park, CA) are developing an advanced software platform that can reduce the cognitive overhead required by knowledge workers when using supercomputers for numerical simulation. Phase I of the project is complete and includes the development of new capabilities for organizing simulation project files, improvements to the user interface and overall usability, and deployment of a “middle tier” server to sit between user desktop machines and supercomputers to offload much of the data management workload. The project also developed prototype software for executing sequences of numerical simulations, and a prototype for migrating supercomputing software to cloud-based computing systems to provide a potential alternative to supercomputers with different logistical and price-to-performance tradeoffs.
This report outlines the results of the DOE-funded SULI (Science Undergraduate Laboratory Internship) research completed over the summer 2024 on site at Fermilab. The project focused on the \textit{otsdaq} software responsible for data acquisition. The project included drafting updated documentation for new users including new procedures relevant for the Alma-Linux 9 operating system update, and the UPS package managing system replacement with spack (scientific software package manager). A new \textit{art} module (ReadTriggerCounts) to track trigger rates was created, with compatibility to be displayed via a Grafana server. The author also assisted in calorimeter cable installation in the detector hall.
This hydrologic data document (HDD) has been prepared for Corrective Action Units (CAUs) 101 and 102, Central and Western Pahute Mesa, in order to support the development of a groundwater flow and contaminant transport model. Central and Western Pahute Mesa are two of the five CAUs on the Nevada National Security Site (NNSS) (formerly the Nevada Test Site [NTS]) used for underground nuclear testing (Figure 1-1). The nuclear tests resulted in groundwater contamination in the vicinity of the underground test areas. As a result, the U.S. Department of Energy (DOE), Environmental Management (EM) Nevada Program is currently conducting a corrective action investigation (CAI) of the Pahute Mesa underground test areas. This work is a part of the Underground Test Area (UGTA) Activity in accordance with the Federal Facility Agreement and Consent Order (FFACO) (1996, as amended). The CAU groundwater flow and transport model is composed of two pieces, a flow model and a transport model, that together provide the contaminant boundary forecasts required by the FFACO. The hydrologic data necessary for the flow model portion of the CAU model are presented in this report. The transport data necessary for the transport model portion of the CAU model will be provided in a separate report.
The US Department of Energy’s Oak Ridge National Laboratory (ORNL) is a leading institution in advanced materials, supercomputing, neutrons, and nuclear science. As a research laboratory managed by UT-Battelle, LLC for DOE, ORNL has national priorities in energy, security, and scientific discovery that necessitate facility improvements and expansions. DOE is also committed to environmental stewardship. The laboratory is located on the ~32,000-acre Oak Ridge Reservation (ORR), much of which is categorized as a National Environmental Research Park and a state Wildlife Management Area. DOE works with the Tennessee Wildlife Resources Agency (TWRA), Tennessee Department of Environment and Conservation (TDEC), US Fish and Wildlife Service (USFWS), US Department of Agriculture, and other agencies to serve as an effective steward of the ORR. Accordingly, project managers must conform to environmental regulations, agreements, and policies at the federal, state, and institutional levels. Per 40 CFR (Code of Federal Regulations) 1508.14, potential effects on research and science education on the National Environmental Research Park represent potential impacts of federal actions. Moreover, federal actions that affect the quantity and quality of hunting opportunities and deer reduction harvest on the Oak Ridge Wildlife Management Area must be considered whenever other aspects of the human environment (as defined by NEPA) are affected. The Spallation Neutron Source (SNS) is a premiere facility at ORNL that provides advanced capabilities in neutron scattering to promote new discoveries and research opportunities in material sciences, physics, chemistry, biological sciences, and others. A conceptual design for a Second Target Station (STS) has been in consideration for several years. The STS is intended to complement and enhance existing ORNL capabilities, notably research and exploration of complex materials. The proposed STS will involve development of existing natural areas on the ORR, which might contain sensitive resources that require mitigation or avoidance in accordance with existing policies and regulation. This report summarizes current knowledge of natural and cultural resources within the STS project area. At the time of this report, the proposed STS project consisted of an operations area comprising 55.4 acres (22.4 ha) and a total review area for potential construction comprising ~224 acres (90.6 ha). The review area is located primarily within forested natural areas of the ORR with minor development in the form of power-line rights-of-way and secondary/graveled roads (Figure 1). The primary goal was to evaluate potential effects on sensitive resources that might result from development of the STS. In addition to onthe-ground surveys during summer 2009 and fall 2019 to summer 2020 by ORNL Natural Resources Management Program and Aquatic Ecology Group staff, this report makes use of historical (pre-1995) and contemporary (1995 to present) data from additional confirmed sources (e.g., TDEC). Likewise, forest conditions were compiled primarily from a 2013 forest inventory effort for Forest Management Compartment 17 and supplemented with limited ground observations in 2019. The individuals who obtained and compiled the data that are presented here are familiar with and routinely assess sensitive resources on the ORR.
River sediment microbial respiration is a key indicator of ecosystem functioning and the biogeochemical fluxes across this critical zone link surface and subsurface waters. As such, there is tremendous interest in measuring and mapping these respiration rates. Respiration observations are expensive and labor intensive; there is limited data available to the community. An open science, collaborative initiative is collecting samples for respiration rate analysis and multi-scale metadata; this evolving data set is being used for making machine learning (ML) predictions at unsampled sites to help inform continued community engagement. However, it is a challenge to find an optimum configuration for ML models to work with this feature-rich (i.e., 100+ possible input variables) data set. Here, we present results from a two-tiered approach to managing the analysis of this complex data set: (a) a stacked ensemble of models that automatically optimizes hyperparameters and manages the training of many models and (b) feature permutation importance to detect the most important features in the models. The major elements of this workflow are modular, portable, open, and cloud-based thus making this implementation a potential template for other applications. The models developed here predict that sediment organic matter chemistry is one of the most important features for predicting sediment respiration rate. Other larger-scale, important features fall into the categories of climatic, ecological, geological, and fluvial settings. Leveraging these larger-scale features to generate data-driven estimates of river sediment respiration rates reveals spatially consistent but heterogeneous patterns across the river network of the Columbia River Basin.
Quantum computing will play a pivotal role in the High Energy Physics (HEP) science program over the early parts of the 21$^{st}$ Century, both as a major expansion of our capabilities across the Computational Frontier, and in synthesis with quantum sensing and quantum networks. This report outlines how Quantum Information Science (QIS) and HEP are deeply intertwined endeavors that benefit enormously from a strong engagement together. Quantum computers do not represent a detour for HEP, rather they are set to become an integral part of our discovery toolkit. Problems ranging from simulating quantum field theories, to fully leveraging the most sensitive sensor suites for new particle searches, and even data analysis will run into limiting bottlenecks if constrained to our current computing paradigms. Easy access to quantum computers is needed to build a deeper understanding of these opportunities. In turn, HEP brings crucial expertise to the national quantum ecosystem in quantum domain knowledge, superconducting technology, cryogenic and fast microelectronics, and massive-scale project management. The role of quantum technologies across the entire economy is expected to grow rapidly over the next decade, so it is important to establish the role of HEP in the efforts surrounding QIS. Fully delivering on the promise of quantum technologies in the HEP science program requires robust support. It is important to both invest in the co-design opportunities afforded by the broader quantum computing ecosystem and leverage HEP strengths with the goal of designing quantum computers tailored to HEP science.
As the nation's premier laboratory for cutting-edge transportation decarbonization research and development solutions, the National Renewable Energy Laboratory (NREL) pioneers the creation and deployment of sustainable mobility technologies and strategies, with a focus on slashing transportation sector greenhouse gas emissions and combatting climate change. Trucks, planes, cargo ships, and other difficult-to-decarbonize vehicles are part of this essential transition for the transportation sector, which is currently the nation's largest source of the greenhouse gas emissions. NREL provides the scientific building blocks needed to spur innovation through multifaceted analysis, research, and engineering. This work acts as a catalyst to help industry bring affordable, high-performance, energy-efficient, and low-emission modes of transport and related infrastructure to market sooner. Our researchers collaborate closely with academic, government, and industry partners to design better batteries, drivetrains, and engines. They develop technologies for high-power charging, thermal management, energy storage, and power electronics. They are also reimagining fuels and combustion while creating sustainable lightweight materials. Unbiased expert guidance - backed by credible data and analysis, tools, and scientific rigor - empowers partners to make informed decisions about sustainable transportation. NREL recognizes that communities with limited mobility options face reduced access to employment opportunities, health care, and education, lowering overall quality of life. Alongside partners, NREL experts are creating transportation solutions that meet community-identified needs and increase mobility equity in historically underserved and overburdened communities. Rather than providing a one-size-fits-all solution, we take an interdisciplinary approach to mobility equity that considers the needs and challenges of diverse groups, maximizing benefits at the individual, community, and societal levels.
In forest ecosystems, canopy openness affects understory light availability, plant growth, and tree species recruitment, thus shaping future forest composition, structure, and functional diversity. Foresters must correctly and quickly measure canopy openness to meet their management objectives. To help guide the selection of an appropriate method for measuring canopy openness, we compared three common techniques that vary in cost, complexity, and time required for measurements and data processing: smartphone-based hemispherical photography, spherical densiometer measurements, and direct measurements of solar radiation (using AccuPAR ceptometer). We measured canopy openness using these three methods on 28 permanent forest health monitoring plots in pine-oak forests of the Central Pine Barrens of Long Island in New York State. By analysis of variance and regression analyses, we found the three methods (particularly densiometer and hemispherical photographs) yielded broadly equivalent and strongly positively correlated descriptions of canopy openness. The direct measurements of solar radiation seemed to have a greater potential to detect subtle variation in forest understory light. Forest managers may sufficiently characterize canopy openness using quick and cheap methods (e.g., spherical densiometers) and avoid larger costs of devices for direct light measurements (e.g., ceptometers) and the larger data processing times of hemispherical photography.
The environmental surveillance program discussed in this report is an ongoing activity that resulted from the 1976-1978 radiological characterization of the former site of Argonne National Laboratory and its predecessor, the University of Chicago's Metallurgical Laboratory. This site was part of the World War II Manhattan Engineer District Project and was located in a forested area southwest of Chicago, IL, owned by the Forest Preserve District of Cook County, now known as the Palos Area Preserves. Research was conducted at two locations in the Palos Area Preserves: Site A, a 19-acre area that contained experimental laboratories and nuclear reactor facilities; and Plot M, a 150 ft x 140 ft area used for the burial of radioactive waste. The location of the Palos Area Preserves is shown in Figure 2.1. The locations of Site A and Plot M are shown in Figure 2.2. Previous comprehensive reports on this subject provide additional detail and illustrations on sampling locations and provide descriptive material along with the results through 1981. Annual reports are available for 1982 through 2018. While earlier data will not be repeated in this report, reference is made to some of the results.
Across the Department of Energy’s Environmental and Legacy Management sites, complex groundwater plumes exist that will require long-term monitoring to ensure remedial actions that have been put in place remain effective decades into the future. The current monitoring paradigm predominantly consists of groundwater well sampling, whereby samples are collected, concentrations analyzed, and plume anomalies are detected after they have occurred. The Advanced Long Term Environmental Monitoring Systems (ALTEMIS) program is a multi-lab, multi-institution team of researchers that is deploying spatially integrative technologies (i.e., real-time in situ sensor networks), coupled with artificial intelligence and machine learning, to establish a more proactive monitoring paradigm. Within this approach, plume anomalies can be predicted, and corrective actions can be established prior to the occurrence, offering a more cost-effective and robust approach to long-term monitoring. The team has deployed a variety of different in situ sensing technologies at the Savannah River Site’s F-Area Hazardous Waste Management Facility around the F-Area Seepage Basins, which are unlined basins that received 7 billion liters of acidic low-level radioactive waste from the 1950s until the late 1980s. The technologies and techniques that the team is deploying are intended to ensure that the remedial actions that have been taken by the site remain effective decades into the future. Foundational to this approach is a robust, integrated data management and analysis plan to ensure accurate and timely reporting from the variety of sensor systems that are in place. This report will outline the data management plan that has been implemented by the ALTEMIS team at the Savannah River Site and will serve as a blueprint as the technology is translated to new sites across the DOE Complex.
Computer modeling is essential to scientific research. Models simulate natural phenomena to aid scientists in understanding their underlying principles. While the most complex models running on supercomputers may contain millions of lines of code and generate billions of data points, models never simulate reality perfectly. Experiments—in contrast—have been fundamental to the study of natural phenomena from science’s earliest days. However, some of today’s complex experiments generate too much data for the human mind to interpret.
The Multi-Agency Radiation Survey and Site Investigation Manual (MARSSIM) [1] provides comprehensive guidance for the development and implementation of radiological surveys conducted to demonstrate compliance with a dose- or risk-based cleanup goal during final status survey. The MARSSIM methodology follows an integrated strategy combining direct measurements and sampling to assess uniform residual contamination, and scanning surveys to identify localized areas of elevated activity. Building surveys assessing residual surface contamination present unique challenges from reliance on field measurements that may be subject to less than ideal environmental conditions. Additionally, limited characterization and excessive conservatism incorporated into the conceptual site model may result in derived concentration guideline levels (DCGL) and, as a consequence of relatively inefficient field instrumentation, corresponding attributable count rates generally comparable to background. The presence of elevated ambient radon concentrations and associated progeny deposition both exacerbate these intrinsic survey challenges and introduce a series of technical, logistic, and administrative obstacles that can wreak havoc on the statistical legitimacy of each component of the MARSSIM process. Short-lived radon progeny including polonium-218, lead-214, bismuth-214, and polonium-214 produce excessive alpha and beta radiation that may decrease instrument sensitivity through an increase in background count rates, and, at worst, may result in incorrect survey unit failure through the simulation of residual surface activity. Aside from the obvious solution of exhaustive radon mitigation, the primary objectives are to distinguish between radon progeny deposition and actual surface activity, and collect sufficient defensible data. The following is a technical discussion of the consequences of performing building MARSSIM surveys in the presence of elevated ambient radon atmospheres, conceptual examples, and an overview of practical strategies to minimize the effects of radon interference while collecting sufficient defensible data to complete the survey. (authors)
This paper provides a chronology and overview of events and policy initiatives aimed at addressing irrigation sustainability issues in the San Joaquin River Basin (SJRB) of California. Although the SJRB was selected in this case study, many of the same resource management issues are being played out in arid, agricultural regions around the world. The first part of this paper provides an introduction to some of the early issues impacting the expansion of irrigated agriculture primarily on the west side of the San Joaquin Valley and the policy and capital investments that were used to address salinity impairments to the use of the San Joaquin River (SJR) as an irrigation water supply. Irrigated agriculture requires large quantities of water if it is to be sustained, as well as supply water of adequate quality for the crop being grown. The second part of the paper addresses these supply issues and a period of excessive groundwater pumping that resulted in widespread land subsidence. A joint federal and state policy response that resulted in the facilities to import Delta water provided a remedy that lasted almost 50 years until the Sustainable Groundwater Management Act of 2014 was passed in the legislature to address a recurrence of the same issue. The paper describes the current state of basin-scale simulation modeling that many areas, including California, are using to craft a future sustainable groundwater resource management policy. The third section of the paper deals with unique water quality issues that arose in connection with the selenium crisis at Kesterson Reservoir and the significant threats to irrigation sustainability on the west side of the San Joaquin Valley that followed. The eventual policy response to this crisis was incremental, spanning two decades of University of California-led research programs focused on finding permanent solutions to the salt and selenium contamination problems constraining irrigated agriculture, primarily on the west side. Arid-zone agricultural drainage-induced water quality problems are becoming more ubiquitous worldwide. One policy approach that found traction in California is an innovative variant on the traditional Total Maximum Daily Load (TMDL) approach to salinity regulation, which has features in common with a scheme in Australia’s Hunter River Basin. The paper describes the real-time salinity management (RTSM) concept, which is geared to improving coordination of west side agricultural and wetland exports of salt load with east side tributary reservoir release flows to improve compliance with river salinity objectives. RTSM is a concept that requires access to continuous flow and electrical conductivity data from sensor networks located along the San Joaquin River and its major tributaries and a simulation model-based decision support designed to make salt load assimilative capacity forecasts. Web-based information dissemination and data sharing innovations are described with an emphasis on experience with stakeholder engagement and participation. The last decade has seen wide-scale, global deployment of similar technologies for enhancing irrigation agriculture productivity and protecting environmental resources.
Domain science applications and workflow processes are currently forced to view the network as an opaque infrastructure into which they inject data and hope that it emerges at the destination with an acceptable Quality of Experience. There is little ability for applications to interact with the network to exchange information, negotiate performance parameters, discover expected performance metrics, or receive status/troubleshooting information in real time. The work presented here is motivated by a vision for a new smart network and smart application ecosystem that will provide a more deterministic and interactive environment for domain science workflows. The Software-Defined Network for End-to-end Networked Science at Exascale (SENSE) system includes a model-based architecture, implementation, and deployment which enables automated end- to-end network service instantiation across administrative domains. An intent based interface allows applications to express their high-level service requirements, an intelligent orchestrator and resource control systems allow for custom tailoring of scalability and real-time responsiveness based on individual application and infrastructure operator requirements. This allows the science applications to manage the network as a first-class schedulable resource as is the current practice for instruments, compute, and storage systems. Deployment and experiments on production networks and testbeds have validated SENSE functions and performance. Emulation based testing verified the scalability needed to support research and education infrastructures. Key contributions of this work include an architecture definition, reference implementation, and deployment. This provides the basis for further innovation of smart network services to accelerate scientific discovery in the era of big data, cloud computing, machine learning and artificial intelligence.
Collaborative management of water resources requires a broad suite of “water data” that extends beyond basic information about water quantity and quality to other related topics such as water infrastructure, aquatic ecosystem health, socioeconomic factors, and power generation. Water data are disparate in nature because they are collected and provided by many entities, and in some cases, remain challenging to access and use. The U.S. Department of Energy’s Water Power Technologies Office initiated a project to characterize relevant categories of water data; describe the current state of accessing, using, and visualizing water data; and outline investigatory pathways for future efforts aimed at improving the discovery, sharing, and use of water data. Input on these topics was solicited from a small but diverse cross section of members of the water resources community. Fourteen broad categories of water data were identified: dams; ecology; flood control; hydroclimatology; hydrography; hydrology; hydropower; management landscape; migratory barriers; recreation and aesthetic importance; socioeconomic; water quality; water availability and use; and weather. Stakeholder perspectives on the accessibility and usability of water data indicate these aspects are affected by a complex set of technical and social factors. However, stakeholders generally agreed that better access to water data can provide a range of benefits to water management, and they stressed the need to generate broad support from water data users and producers. Two investigatory pathways were outlined that, taken together, provide a logical progression toward the goals of the project. The first pathway emphasizes further investigation to better define target audiences and data needs, identify opportunities for collaboration between related efforts, and conduct value demonstration activities to generate further support for improving discovery and access of water data. The second pathway focuses on creating a comprehensive vision for potential solutions that improve the discovery of water data. Several activities that align with the first pathway are suggested for the next phase of the project.
Domain science applications and workflow processes are currently forced to view the network as an opaque infrastructure into which they inject data and hope that it emerges at the destination with an acceptable Quality of Experience. There is little ability for applications to interact with the network to exchange information, negotiate performance parameters, discover expected performance metrics, or receive status/troubleshooting information in real time. The work we presen here is motivated by a vision for a new smart network and smart application ecosystem that will provide a more deterministic and interactive environment for domain science workflows. The Software-Defined Network for End-to-end Networked Science at Exascale (SENSE) system includes a model-based architecture, implementation, and deployment which enables automated end-to-end network service instantiation across administrative domains. An intent based interface allows applications to express their high-level service requirements, an intelligent orchestrator and resource control systems allow for custom tailoring of scalability and real-time responsiveness based on individual application and infrastructure operator requirements. This allows the science applications to manage the network as a first-class schedulable resource as is the current practice for instruments, compute, and storage systems. Deployment and experiments on production networks and testbeds have validated SENSE functions and performance. Emulation based testing verified the scalability needed to support research and education infrastructures. Key contributions of this work include an architecture definition, reference implementation, and deployment. This provides the basis for further innovation of smart network services to accelerate scientific discovery in the era of big data, cloud computing, machine learning and artificial intelligence.
The Department of Energy Computational Science Graduate Fellowship (DOE CSGF) is necessary to meet the continual challenging national workforce needs that arise as computational science and engineering problems continue to grow in scope and complexity. Computational science and engineering (CSE) is a multidisciplinary approach that uses scientific computing to solve practical problems methods and to supply technical tools across the scientific discovery spectrum. In particular, the DOE CSGF emphasizes high-performance computing (HPC) that enables CSE that advances science and engineering in directions important to the DOE and the economy in general. Over the past half-century, HPC has been an essential tool for DOE’s success. During this period, important missions, such as nuclear stockpile stewardship, have turned to HPC as an essential technology. Entire science disciplines, such as biology and cosmology, have been transformed through the augmentation of scientific observation via HPC. At government laboratories and in industry, DOE CSGF alumni are helping push traditional HPC boundaries while contributing to discoveries in high-energy physics, renewable energy, fusion-reactor design, additive manufacturing, nanomaterials for next-generation batteries and transistors, and turbine and advanced nuclear reactor modeling. In addition, HPC is used to address national health needs that will eventually point to cures both by helping cancer researchers manage and analyze huge troves of data, by simulating biological mechanisms, and by accelerating drug development — including continuing to rise to the challenge of pandemic-related research. A 2023 report from the ASCAC Subcommittee on American Competitiveness and Innovation to the ASCR office, “Can the United States Maintain Its Leadership in High-Performance Computing?” says of the Program, “The CSGF program provides a barometer for disciplines that will be of interest to future DOE computing.” An explosion in scientific and technological data has driven the need for increasingly sophisticated HPC to transform those data into scientific understanding. With access to more and more data and the proliferation of HPC, Machine Learning and Artificial Intelligence are experiencing a renaissance, complementing the now well-established use of computational simulation. Indeed, in its September 2020 subcommittee report on “AI/ML, Data Intensive Science and High-Performance Computing”, the DOE Advanced Scientific Computing Advisory Committee (ASCAC) explicitly called for a fellowship program to train computational and data scientists to tackle exascale and data-intensive computing challenges. This collaboration of empirical and theory-based modeling will increasingly inform federal policymakers whose decisions affect American society and future generations, and it requires highly skilled and intellectually agile computational scientists who can support the fast-moving DOE National Laboratory research environment. In fact, the DOE CSGF program has explicitly and consistently addressed this need.