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At least 217 records · Page 12

Workflows Community Summit 2022: A Roadmap Revolution

Scientific workflows have become integral tools in broad scientific computing use cases. Science discovery is increasingly dependent on workflows to orchestrate large and complex scientific experiments that range from the execution of a cloud-based data preprocessing pipeline to multi-facility instrument-to-edge-to-HPC computational workflows. Given the changing landscape of scientific computing (often referred to as a computing continuum) and the evolving needs of emerging scientific applications, it is paramount that the development of novel scientific workflows and system functionalities seek to increase the efficiency, resilience, and pervasiveness of existing systems and applications. Specifically, the proliferation of machine learning/artificial intelligence (ML/AI) workflows, need for processing large-scale datasets produced by instruments at the edge, intensification of near real-time data processing, support for long-term experiment campaigns, and emergence of quantum computing as an adjunct to HPC, have significantly changed the functional and operational requirements of workflow systems. Workflow systems now need to, for example, support data streams from the edge-to-cloud-to-HPC, enable the management of many small-sized files, allow data reduction while ensuring high accuracy, orchestrate distributed services (workflows, instruments, data movement, provenance, publication, etc.) across computing and user facilities, among others. Further, to accelerate science, it is also necessary that these systems implement specifications/standards and APIs for seamless (horizontal and vertical) integration between systems and applications, as well as enable the publication of workflows and their associated products according to the FAIR principles.

97 MATHEMATICS AND COMPUTING↗

New Opportunities for Neutrons in Environmental and Biological Sciences

The use of neutron methods in environmental and biological sciences is rapidly emerging and accelerating with the development of new instruments at neutron user facilities. This article, based on a workshop held at Oak Ridge National Laboratory (ORNL), offers insights into the application of neutron techniques in environmental and biological sciences. Here we highlight recent advances and identify key challenges and potential future research areas. These include soil and rhizosphere processes, root water dynamics, plant-microbe interactions, structure and dynamics of biological systems, applications in synthetic biology and enzyme engineering, next-generation bioproducts, biomaterials and bioenergy, nanoscale structure, and fluid dynamics of porous materials in geochemistry. We provide an outlook on emerging opportunities with an emphasis on new capabilities that will be enabled at the Spallation Neutron Source Second Target Station currently under design at ORNL. The mission of scientific neutron user facilities worldwide is to enable science using state-of-the-art neutron capabilities. We aim to encourage researchers in the environmental and biological research community to explore the unique capability afforded by neutrons at these facilities.

54 ENVIRONMENTAL SCIENCES↗

LANSCE Capabilities

For more than 40 years the Los Alamos Neutron Science Center (LANSCE) has provided the scientific underpinnings in nuclear physics and material science needed to ensure the safety and surety of the nuclear stockpile into the future. In addition to national security research, the LANSCE User Facility has a vibrant research program in fundamental science, providing the scientific community with intense sources of neutrons and protons to perform experiments supporting civilian research and the production of medical and research isotopes.

43 PARTICLE ACCELERATORS↗

Berkeley Lab 2021 Annual Financial Report

Lawrence Berkeley National Laboratory (LBNL) continued to successfully operate during the ongoing COVID pandemic, providing world-class science facilities to both researchers and scientific users in its five national user facilities. The dedication and commitment of the Lab community to continuing the Lab’s mission has been unparalleled during this difficult time. Due to the diligence of the Lab’s Operations teams and each person who came on site, the Lab was able to safely operate these facilities. In December, the Lab received its annual appraisal from the U.S. Department of Energy (DOE). The Lab received “A” grades for each of the performance goals which include mission accomplishment, leadership, health and safety, security and emergency management, business systems, and facilities. The University of California manages the Lab on behalf of the DOE.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

NSUF Industry Engagement Meeting Summary

NSUF held its FY23 industry engagement committee (NIEC) meeting at EPRI in Charlotte, NC during September 26-27, 2023. Over 50 participants from 25 organizations joined the meeting in person or virtually. The Objectives of the meeting were to inform the industry about the NSUF program, to collect industry feedback, and to strengthen industry collaboration and partnerships. Invitees were encouraged to come prepared with questions for NSUF and to consider ways NSUF can be leveraged for the advancement of nuclear energy. The NIEC is one of the NSUF stakeholder communities that can provide input to NSUF and inform program decisions. For this meeting, NSUF partnered with EPRI, USNRC, GAIN, and the US nuclear energy industry to exchange information and provide feedback on topics within irradiation effects on nuclear fuels and materials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Eddy Correlation Flux Measurement System (ECOR) Instrument Handbook

The eddy correlation (ECOR) flux measurement system provides in situ, half-hour measurements of surface turbulent fluxes of momentum, sensible heat, latent heat, and carbon dioxide (CO 2 ) at the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) User Facility sites. ARM’s ECORs also historically measured methane fluxes at Utqiaġvik and Oliktok Point, Alaska. The fluxes are obtained with the eddy covariance technique, which involves correlation of the vertical wind component with the horizontal wind component, the air temperature, the water vapor density, and the CO 2 concentration.

54 ENVIRONMENTAL SCIENCES↗

Mixed Precursor and Future Climate in the Southeast U.S. Field Campaign Report

The generation of atmospheric aerosols is a fundamental process in aerosol-climate interactions, where particles act as nuclei for cloud formation and ultimately influence Earth’s radiative balance. Understanding aerosol precursors, chemical compositions, and formation mechanisms, particularly for secondary organic aerosols (SOAs), is essential for assessing their overall impact on climate. Aerosol-climate interactions are especially important in the Southeastern United States (SE-US), where the atmosphere is strongly influenced by both biogenic and anthropogenic emissions, as well as intense land-atmosphere convective coupling. Current mechanistic representations of SOA formation under ambient conditions are largely extrapolated from laboratory-scale oxidation experiments involving individual volatile organic compounds (VOCs), which are often assumed to behave independently when present in mixtures. However, recent empirical evidence demonstrates that coexisting VOC precursors can undergo previously unexplored molecular-scale interactions that significantly alter SOA physicochemical properties, including mass loading, yield, and water uptake.

54 ENVIRONMENTAL SCIENCES↗

Water Vapor Isotopic Measurements during CAPE-K Field Campaign Report

CAPE-K_ISO deployed a Picarro L-2130 water vapor isotope analyzer to the Kennaook/Cape Grim Baseline Air Pollution Station in northwest Tasmania as a guest instrument within the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) User Facility’s Cloud and Precipitation Experiment at Kennaook (CAPE-K). The project was led by Joseph Galewsky at the University of New Mexico and supported the second ARM Mobile Facility (AMF2) deployment by adding continuous measurements of water vapor mixing ratio, delta-18O, delta-D, and deuterium excess in marine boundary-layer air.

54 ENVIRONMENTAL SCIENCES↗

Atmospheric Composition and Radiative Forcing Effects due to UN International Ship Emissions Regulations (ACRUISE) Field Campaign Report

Aerosols, or atmospheric particulates, are long known to be able to seed clouds and modify their characteristics (e.g., cloud brightness, coverage, lifetime). However, the impact of aerosols on clouds is highly complex and non-linear. As a result, aerosol-cloud interaction remains the largest uncertainty in our understanding of the Earth’s radiative balance and in any future climate projections. Aerosols are also a principal component of air pollution and are known to adversely affect respiratory and cardiovascular health.

54 ENVIRONMENTAL SCIENCES↗

Land-Surface Temperature Transitions at the Bankhead National Forest (LASTT-BNF) Field Campaign Report

Land surface types that are common in the Southeast United States (e.g., forests, agriculture, urban) can play key roles in the regulation of surface-atmosphere energy exchange and boundary-layer evolution in the region (Hinkle et al. 2024). Heterogeneity in these land-surface types and associated emissivities can drive strong transitions in land surface temperature (LST), which is an important component of the surface energy balance. Within the forested canopy surrounding the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) User Facility’s field deployment at the Bankhead National Forest (BNF) in Alabama main site (M1) (Kuang et al. 2026), the different components of the vegetation and ground surface can create strong gradients in surface temperature that can influence the canopy thermal environment and vegetative function (e.g., stress, transpiration), both of which can have important, yet poorly characterized, controls on lower atmospheric processes (e.g., thermal turbulence, secondary circulations).

54 ENVIRONMENTAL SCIENCES↗

North Slope of Alaska XSAPR b1 Data Processing Report: May 2025-April 2026

The U.S. Department of Energy’s Atmospheric Radiation Measurement (ARM) User Facility operates an X-band Scanning ARM Precipitation Radar (XSAPR) at the North Slope of Alaska (NSA) atmospheric observatory in Utqiaġvik. This radar provides year-round dual-polarization measurements of snow and ice in an arctic environment. Over the past few years, there has been greater focus on the NSA XSAPR, and recent efforts by ARM staff have resulted in quality-controlled, b-level data (Rocque et al. 2026b). This report outlines the processing of the second set of b-level data released for this radar from May 2025 through April 2026 following similar methods from Rocque et al. (2026b).

54 ENVIRONMENTAL SCIENCES↗

GNSS Installation at the Eastern North Atlantic (ENA) Atmospheric Observatory Field Campaign Report

GRUAN, the Global Climate Observing System (GCOS) Reference Upper Air Network, is an international reference observing network of sites measuring essential climate variables above Earth's surface, designed to fill an important gap in the current global observing system. GRUAN’s objectives are to (1) provide long-term, high-quality climate records, (2) constrain and calibrate data from more spatially comprehensive global observing systems (including satellites and current radiosonde networks), and (3) fully characterize the properties of the atmospheric column.

54 ENVIRONMENTAL SCIENCES↗

Tethered Balloon System Ozone Profiles during CoURAGE Summer Intensive Operational Period Field Campaign Report

During the summer IOP, the small ARM field campaign CRGTBSO3 collected measurements to gain an improved understanding of differences between the atmospheric composition in and just above the marine layer at the CoURAGE TBS site near the eastern shore of Chesapeake Bay. CRGTBSO3 included guest instrumentation with ozone (O 3 ) profile measurements on the TBS and surface O3 and meteorological measurements at the TBS site. An En-Sci 2Z electrochemical cell (ECC) ozonesonde (Komhyr 1969, 1986, Witte et al. 2018) was included on the TBS. The ozonesonde was connected to an InterMet iMet-4RSB radiosonde, and the overall data collected included vertical profiles of ozone, relative humidity, temperature, pressure, and altitude. The CRGTBSO3 iMet-4 radiosonde data is identical to that of the iMet in the Tethered Balloon System Merged Data Product (TBSMERGED; Gaustad and Dexheimer 2025). The TBSMERGED data product also includes meteorological data from a different sensor, the iMet XQ2. In some cases, the iMet XQ2 relative humidity (RH) data may be more accurate than the iMet-4, such as for some instances when the iMet-4 RH data stays at 100% for an extended period throughout a profile.

54 ENVIRONMENTAL SCIENCES↗

Workflows for Science: A comprehensive guide for ensemble workflow tools usage with applications on OLCF systems

The growing demand for robust computational and workflow environments for scientific applications and user communities at the Oak Ridge Leadership Computing Facility (OLCF) has prompted collaboration with ensemble tools development teams and facility users to produce this technical paper. We connect science applications to the RADICAL-Pilot (RP) workflow tool to execute ensemble instantiations using the Frontier supercomputer. The documented installation, usage, and execution demonstrates how RP streamlines scientific workflows at OLCF. We outline the specific steps OLCF users can follow to integrate this tool with their applications and advance their research. This document stands as a comprehensive guide to OLCF users of ensemble workflow tools with examples on real applications using the Frontier supercomputer.

97 MATHEMATICS AND COMPUTING↗

Vertical Aerosol Profiling during SAIL (VAPS) Field Campaign Report

To more fully address the science goals of the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) user facility’s Surface Atmosphere Integrated Field Laboratory (SAIL) campaign, particularly the key science question of “How strongly do aerosols affect the surface energy and water balance by altering clouds, precipitation, and surface albedo, and how do these impacts vary seasonally?”, our campaign added instrumentation to planned tethered balloon system (TBS) flights in May and July of 2022. A key aspect of aerosol-cloud interactions is understanding cloud condensation nuclei (CCN) and ice nucleating particle (INP) populations, and how they vary seasonally and spatially. Because the interactions between aerosols and clouds is the target of this work, vertical distributions are particularly important to evaluate. Measurements of aerosol at ground level, below-cloud, and in-cloud will allow a better understanding of the airmasses that are feeding cloud-active particles into low- and mid-level clouds. Measurements of INP and aerosol populations often differ between the ground and aloft, with relationships that likely depend on regional and seasonal. Because of this, collocated measurements of aerosol, CCN, and INP, across different seasons, are crucial to reducing uncertainties in relationships between ground-level and cloud-base aerosol populations. Our campaign added online measurements of CCN using a compact CCN counter and offline filter collections for measurement of INP populations to the SAIL campaign TBS flights in May and July of 2022. The CCN instrument, the CloudPuck, flew and successfully collected data for a total of eight flights across both campaign periods. The IcePuck flew for most flights during the same period. Both instruments have continued to be used for other campaign requests in the SAIL domain. Analysis of this data was proposed through a concurrent DOE Atmospheric System Research (ASR) project submission, which was not funded in 2022. A similar proposal, which would involve analysis of the samples and data collected from this campaign, has been resubmitted in 2023 but a funding decision has not yet been made. If the proposal is again declined, we will seek other resources to ensure that this data can be analyzed.

54 ENVIRONMENTAL SCIENCES↗

Data Science and Computation for Rapid and Dynamic Compression Experiment Workflows at Experimental Facilities, September 8-11, 2020. Workshop Report

The application of high pressure to materials has enabled discoveries in scientific fields such as planetary science, materials science, and materials synthesis. Recent advances in X-ray user light sources and other facilities, co-location and integration of user facilities with high-pressure drivers, availability of high-performance computing (HPC) platforms, and the development of new data science techniques have created opportunities for, and challenges in, advancing data analytics for rapid and dynamic compression experiments. To address these challenges, harness the emerging technology now available, and expedite scientific discovery, Los Alamos National Laboratory (LANL) hosted a virtual workshop entitled “Data Science and Computation for Rapid and Dynamic Compression Workflows at Experimental Facilities” from September 8 to 11, 2020. The workshop included 95 registered scientists and analytics experts from 15 universities, 9 United States (US) national laboratories, 5 US and European X-ray light sources, neutron sources such as the Los Alamos Neutron Science Center (LANSCE), other big science facilities such as the National Ignition Facility (NIF), and an industry representative. The workshop included 31 invited talks and 4 lightning talks by students and postdocs.

36 MATERIALS SCIENCE↗

Outlook for artificial intelligence and machine learning at the NSLS-II

Abstract We describe the current and future plans for using artificial intelligence and machine learning (AI/ML) methods at the National Synchrotron Light Source II (NSLS-II), a scientific user facility at the Brookhaven National Laboratory. We discuss the opportunity for using the AI/ML tools and techniques developed in the data and computational science areas to greatly improve the scientific output of large scale experimental user facilities. We describe our current and future plans in areas including from detecting and recovering from faults, optimizing the source and instrument configurations, streamlining the pipeline from measurement to insight, through data acquisition, processing, analysis. The overall strategy and direction of the NSLS-II facility in relation to AI/ML is presented.

97 MATHEMATICS AND COMPUTING↗

Cooperative Research and Development Agreement With Georgetown University Report: National Institutes of Health, National Center for Advancing Translational Sciences Clinical and Translational Science Award

Oak Ridge National Laboratory (ORNL) is participating with Georgetown University (GU) as a subrecipient in response to the National Institutes of Health (NIH), National Center for Advancing Translational Sciences (NCATS) Clinical and Translational Science Award (CTSA) (U54 Clinical Trial Optional) funding opportunity announcement. This Cooperative Research and Development Agreement is put in to place to facilitate the development and implementation of clinical interventions that demonstrably improve human health is currently a complex, recursive, and inefficient process that leads to delays of years or decades before discoveries in biomedical research result in health benefits for patients and communities. NCATS conducts and supports research in the science of translation, to discover the mechanistic and operational principles of the intervention development and dissemination process, thereby providing the scientific foundation for improvements in translational efficiency that will accelerate the realization of interventions that improve human health. Under NCATS’ leadership, the CTSA Program supports a national network of medical research institutions called hubs. GU is the lead institution in one of the NIH hubs that was created as a result of a previous NIH CTSA. The missions of the GU have historically included the advancement of health through research in the clinical and biomedical sciences, the education of future leaders in medical and nursing practice and academia, and the provision of compassionate and scientifically competent patient care and service to the Washington, DC community and the nation. GU is the lead institution for the Georgetown-Howard Universities Center for Clinical and Translational Science (GHUCCTS), a multi-institutional partnership of medical research institutions forged from a desire to promote clinical research and translational science. Through multiple collaborations among these institutions, GHUCCTS is transforming clinical research and translational science in order to bring new scientific advances to health care. Oak Ridge National Laboratory is the Department of Energy's (DOE) largest science and energy laboratory. Managed since April 2000 by a partnership of the University of Tennessee and Battelle, ORNL was established in 1943 as a part of the secret Manhattan Project to pioneer a method for producing and separating plutonium. During the 1950s and 1960s, ORNL became an international center for the study of nuclear energy and related research in the physical and life sciences. With the creation of DOE in the 1970s, ORNL's mission broadened to include a variety of energy technologies and strategies. Today the laboratory supports the nation with a peacetime science and technology mission that is just as important as, but very different from, its role during the Manhattan Project. ORNL is home to the world's premier center for high performance supercomputing to enable scientific discovery. ORNL has extensive expertise in various areas of computer science that are uniquely situated to support GU. Additionally, ORNL’s leading computational user facilities present a unique opportunity to leverage the largest scale machines for open science in support of the stated mission of the NCATS CTSA. ORNL's partnership with GU will offer unparalleled opportunity in data analytics, deep-learning, artificial intelligence, and urban dynamics.

59 BASIC BIOLOGICAL SCIENCES↗