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DOE OSTI2021

Historic Significance and Current Condition Assessment of Building 06-CP-10, Device Assembly Building, Area 6, Nevada National Security Site, Nye County, Nevada

This report was produced in partial fulfillment of the mitigation of adverse effects to Building 06-CP-10, the first device assembly building on the Nevada National Security Site (NNSS), and is intended to comply with the 2021 Memorandum of Agreement DE-GM58-21NA25543 Between the U.S. Department of Energy and the Nevada State Historic Preservation Officer Regarding Demolition of Fourteen Buildings and Structures in Area 6 of the Nevada National Security Site, Nye County (hereafter referred to as the MOA). This MOA was executed to resolve adverse effects from the U.S. Department of Energy (DOE) plan to demolish 14 architectural resources at the Control Point and in the vicinity in Area 6 of the NNSS. The management and operations contractor for the NNSS identified these 14 architectural resources as environmental hazards unsafe for human occupation due to deterioration and rodent infestation. Building 06-CP-10 and two small magazine bunkers (06-CP-10A and 06-CP-805) associated with Building 06-CP-10 are scheduled for demolition as part of this undertaking. Building 06-CP-10 was originally recorded in 2003 during a historical evaluation of four buildings in Area 6. In consultation with the Nevada State Historic Preservation Office, the building was determined individually eligible for inclusion in the NRHP under the Secretary of the Interior’s Significance Criterion A because of its association with nuclear testing and under Significance Criterion C as a distinct type of construction associated with the nuclear industry. Building 06-CP-10A, a munitions magazine, and 06- CP-805, a cap-and-fuse bunker, have been recorded as contributing accessory resources to 06-CP-10. Pursuant to Stipulation III.C.3 of the MOA, this report provides a summary of the historic significance of Building 06-CP-10 and a description of its current condition and accessory resources. In addition, an updated Architectural Resource Assessment (ARA) form with new information and photographs is included in the appendix in fulfillment of Stipulation III.C.2.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

TeMPI Shim

This is the manual for the TeMPI Shim library, whose goal is to facilitate scientific apps being loosely coupled through MPI. TeMPI Shim can be used to create and manage Message Passing Interface (MPI, see [MPI]) Communicators for Single Program, Multiple Data (SPMD, see [SPMD]) and Multiple Programs, Multiple Data (MPMD, see [MPMD]) workflows. MPI provides the MPI_APPNUM command number to each of the processes within its context. This number, starting at 0, is the application number being executed. In a case where 3 applications are being run in MPMD mode, there would be MPI_APPNUM values of 0, 1, and 2. TeMPI Shim creates intra- and inter-communicators between each pair of MPI_APPNUM values. In the aforementioned case, application 0 would have intra- and inter-communicators to speak to itself, application 1, and application 2. This is replicated for each of the applications. Additionally, TeMPI Shim creates intra- and inter-communicators for the first MPI rank of each application to directly communicate only with each other. Finally, TeMPI Shim creates its own copy of the default world communicator, i.e., MPI_COMM_WORLD. In the case where there is only a single application, it will have the communicators to only speak with itself. TeMPI Shim is useful in this case since it is considered good practice for MPI applications to copy the default world communicator and reference this copy (see [Duplicate World]_) anyways. Ultimately, it provides value independent of the number of applications present.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2019

[Office of Basic Energy Sciences (BES)] Roundtable on Producing and Managing Large Scientific Data with Artificial Intelligence and Machine Learning

To identify specific Priority Research Opportunities (PROs) for artificial intelligence and machine learning (AI/ML) at the US Department of Energy’s scientific user facilities, the Office of Basic Energy Sciences (BES) convened a roundtable of facility experts encompassing the fields of physics, chemistry, materials synthesis science, computational science, detector and accelerator technology, theory, modeling, simulation, and atomic-scale characterization techniques. The roundtable met on October 22–23, 2019, to identify coordinated, long-term AI/ML research efforts that will drive major advances in neutron, photon, and nanoscale sciences. This report describes the four PROs identified at the roundtable: PRO 1 on how AI/ML can extract high-value information from the large datasets; PRO 2 on how AI/ML can use such information in real time to maximize the facilities’ scientific output; PRO 3 on using AI/ML virtual laboratories (i.e., computational models of experimental facilities) to aid the facilities and user community in design and control of machine parameters and the design and execution of experiments, including training AI/ML models for PROs 1 and 2; and PRO 4 on how a shared scientific data infrastructure can provide tools to assemble and analyze the totality of data coming from user facilities. A section of the end of the report provides a summary on computer science and mathematics that highlights where enhanced AI/ML capabilities could be particularly impactful for BES user facilities.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2019

CRIC and Rucio integration for CMS Data Management

The Large Hadron Collider (LHC) at CERN smashes protons together at close to the speed of light with seven times the energy of the most powerful accelerators built up to now. Some of the collision energy is turned into mass, creating new particles which are observed in the Compact Muon Solenoid (CMS) particle detector. CMS data is analyzed by scientists around the world to build up a picture of what happened at the heart of the collision. This will help us answer questions such as: ”what is the Universe really made of and what forces act within it?” and ”what gives everything substance?”. All the data produced by the experiment are collected and stored in a distributed system, since it must provide an high throughput and performing access to these data to scientists and physicists spread all over the world. In order to answer the previous questions and many others, CMS users must first obtain a copy of a portion of these data, and then to analyze it, therefore the first challenge is to decide in which storage site to save this duplicate so they can access it as quickly as possible. The second issue is each storage site shares a limited memory space with many CMS users, and each one needs to be assigned to a well defined personal amount of storage to pin data he needs. The main goal of my Summer Internship is to make scalable and automatic this user-site mapping which is based on a preexisting policy, proving a structured and organized algorithm to accomplish this task. Hence we are going to define, and solve, the main challenges encountered, and the technical solution used to generalize the algorithm to handle different policies for different countries.

43 PARTICLE ACCELERATORS↗
DOE OSTI2018

Xi-cam : a versatile interface for data visualization and analysis

Xi-cam is an extensible platform for data management, analysis and visualization. Xi-cam aims to provide a flexible and extensible approach to synchrotron data treatment as a solution to rising demands for high-volume/high-throughput processing pipelines. The core of Xi-cam is an extensible plugin-based graphical user interface platform which provides users with an interactive interface to processing algorithms. Plugins are available for SAXS/WAXS/GISAXS/GIWAXS, tomography and NEXAFS data. With Xi-cam 's `advanced' mode, data processing steps are designed as a graph-based workflow, which can be executed live, locally or remotely. Remote execution utilizes high-performance computing or de-localized resources, allowing for the effective reduction of high-throughput data. Xi-cam 's plugin-based architecture targets cross-facility and cross-technique collaborative development, in support of multi-modal analysis. Xi-cam is open-source and cross-platform, and available for download on GitHub.

Pandolfi, Ronald J. (ORCID:0000000308248548)↗
DOE OSTI2014

TH-D-16A-01: Medical Physics Workshop: Editorial Vision and Guidance On Writing and Reviewing Papers

On January 1, 2014, editorial leadership of Medical Physics passed from esteemed long-time Editor Bill Hendee to a collective editorial group composed of the three presenters listed above. In this presentation, we would like to outline our vision for the future of Medical Physics and review recent work-in-progress initiatives to implement this vision. Finally, we will close with guidance to authors on how to write a good Medical Physics paper. Vision for Medical Physics and current initiatives: Jeff Williamson, Editor-in-Chief We cannot improve on Dr. Hendee's succinct vision statement “to continue the Journal's tradition of publishing the very best science that propels our discipline forward and improves our contribution to patient care.” More concretely, the Journal should be s the preeminent forum for electronic exchange of cutting edge medical physics science. We seek to identify the best contributions in (a) high impact clinical physics innovations; (b) clinical translation and validation of basic science innovations; or (c) cutting edge basic science developments with potential for patient care improvements. Among the challenges and opportunities we face are: are electronic-only and open access publishing; trends towards more interactive, social-media based scientific communities; and diversification of the medical physics research, authorship, and readership domains, including clinical applications quite foreign to core ABR clinical competencies. To address these issues over the next 3 years, we have reduced the size of our Editorial Board and focused its efforts on improving the Journal's impact through 4 working groups (WGs): WG-1: Review process quality and selectivity Creation of 120 member Board of Associate Editors to improve review uniformity by placing Ms. management in fewer hands New reviewer guidelines and templates Answer: “what is the scope of medical physics research?” Recursive taxonomy for tagging review expertise and article contents WG-2 Improving reader experience Redesigning http://MedPhys.org to host interactive features and gateway to electronic issue archive Experimentation with interactive features beginning with “Point/Counterpoint” Data mining and Journal quality evaluation Find out who are audiences are Identify characteristics of high impact articles Measure effectiveness of innovations Outreach to related communities Special issues presenting high-impact work in designated subcommunities Addressing the needs of new research constituencies: engineers, biophysicists, clinicians Guidelines and templates for reviewers and associate editors: Shiva Das, Therapy Physics Editor We will discuss the Med. Phys. review process and a new initiative to create review templates that attempts to address current shortcomings. Template design is informed by the literature on of the review process effectiveness and practices of other journals. Its goals are to provide authors more constructive criticism to improve the manuscript; quantifying perceived importance and potential impact; and providing structured sections that prompt the reviewer to addresses important technical and editorial elements. While the template is recommended to be used, reviewers could alternatively enter their comments in the older free-form style. The expectations of the template are that it will enable consistently thorough, high quality reviews that accurately separate acceptable vs. substandard submissions but continue our tradition of helping authors to enhance papers with high potential. Ultimately, the goal is to reduce variability and subjectivity in the peer-review process, in turn leading to articles with higher research and clinical impact. We will also discuss interesting perspectives from several journals on aspects of the peer-review process such as public input via comments, influence of author-suggested reviewers, and bias in reviewer selection. Writing good scientific papers and responding to critiques: Mitch Goodsitt, Imaging Physics Editor The essential components of the abstract, introduction, methods, discussion and conclusion sections, as well as the desired writing style and style of the figures and tables will be reviewed. Publishable Medical Physics Ms. must include a clear and concise statement of the novelty and clinical and/or scientific importance of their work. Examples of novelty include: new technical solution to an important clinical problem; new generalizable knowledge; or first demonstration that an existing engineering solution solves a clinical problem. Authors must also include: sufficient background information and rationale; enough detail that the work can be reproduced by others; sufficient statistical analysis to refute or validate their hypothesis, how it compares to; is distinct from, and improves upon others' work; and the limitations of their study. When the authors receive critiques from the referees and associate editor, the authors should provide a detailed point-bypoint response to each comment. We now ask that the authors' rebuttal include the text of the original criticism, the authors' response, and the modified text along with the line numbers in the revised article. We also ask that the new text be highlighted in a different font color in the revised submission. These changes and others will be discussed. Their purpose is to facilitate the review process.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2018

A framework for monitoring-based commissioning: Identifying variables that act as barriers and enablers to the process

The practice of monitoring-based commissioning (MBCx) using energy management and information systems (EMIS) has been shown to enable and help sustain up to 20% energy savings in buildings. Despite research that has quantified the costs, benefits, and energy savings of MBCx, the process remains under-utilized. To understand why MBCx is not more frequently adopted and how to encourage its use, this research synthesizes qualitative data from over 40 organizations, currently engaging in MBCx. The outcome of this research is a framework containing variables that emerged from the qualitative data, marked as barriers or enablers, organized by phases of the MBCx process. The framework is comprised of 51 emergent variables that fall within 13 different categories. The variables that most frequently act as barriers are data configuration, measurement & verification (M&V), developing specifications for EMIS, and data architecture. Although some variables that act as barriers for one organization were identified as enablers for another. For example, payback/ROI was considered a barrier 7 times and an enabler 3 times. One organization had difficulty making the business case for the initial investment for MBCx due to lack of cost information, while another was able to justify large investments with documented savings of previously implemented measures identified through MBCx. The framework formally validates barriers found in previous research, and can be used by practitioners to better understand common experiences with MBCx. This research also highlights the need for a similar collective data set to validate common enablers to MBCx and also the need for empirical research to determine relationships between variables.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Historic Context, Character-Defining Elements, And Photographic Record For A 26.45-Mile Segment Of The 138-Kilovolt Power Transmission System, Areas 3, 5, 6, And 23, Nevada National Security Site, Nye County, Nevada

The subject of this report is the 138-kilovolt (kV) power transmission line on the Nevada National Security Site (NNSS) (see Figure 1). The NNSS, formerly the Nevada Test Site (NTS), was the main continental nuclear test site for the United States between 1951 and 1992. Known as the battleground of the Cold War, the NNSS hosted a total of 928 nuclear tests during that period. It also served as the location of numerous scientific advancements in the fields of rocketry, big-hole drilling, nuclear waste management, and defense. From its construction in the 1960s through the present day, the 138 kV line has provided electrical power to the numerous buildings, facilities, experiments, and tests on the NNSS. The Department of Energy (DOE), in consultation with the Nevada State Historic Preservation Officer (SHPO), has determined that it may contribute to the character and significance of the Mercury Historic District (MHD) on the NNSS, as well as other historic districts that have not been recorded or evaluated yet. The purpose of this report is to fulfill two of the stipulations in the Memorandum of Agreement DEGM58-22NA25553 between the U.S. Department of Energy and the Nevada State Historic Preservation Officer Regarding Installation of a 138-kilovolt Transmission Line from the Mercury Switching Station to the U1a Facility and the Removal of the Historic 138-kilovolt Transmission Line from the Mercury Switching Station to the U1a Facility in Areas 1, 3, 5, 6, and 23 of the Nevada National Security Site (MOA). The MOA was executed as part of the DOE’s obligations under Section 106 of the National Historic Preservation Act (NHPA) to mitigate the adverse effects of two undertakings on historic properties. In particular, this report fulfills MOA Stipulations III.C.1-3, which state that the Department of Energy (DOE) will prepare the following: A historic context for the 138 kV transmission line and identification of the line’s characterdefining elements; High-quality digital images of the 26.45-mile segment of the 138 kV transmission line that is subject to the two undertakings for which the MOA was executed; and Photograph catalogs and map keys showing photograph viewpoints and directions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Report series: Evaluation, Finding of Effect, and Mitigation Documentation for the 1960s Dormitories and 1950s Quonset Hut Foundations, Mercury, Area 23, Nevada National Security Site, Nye County, Nevada [3 Reports Consolidated]

The U.S. Department of Energy, National Nuclear Security Administration Nevada Field Office (NNSA/NFO) plans to modernize the town of Mercury at the Nevada National Security Site (NNSS) in Nye County, Nevada, to meet current and future National Weapons Science, Global and Homeland Security Programs, and Environmental Management mission requirements. These plans—including anticipated demolitions, consolidations, and rebuilding at Mercury—are considered an undertaking subject to review under Title 54 U.S.C. § 306108, commonly known as Section 106 of the National Historic Preservation Act, Title 54 U.S.C. § 300101, et seq., and its implementing regulations, 36 C.F.R. Part 800. Desert Research Institute (DRI) completed an architectural survey of Mercury in 2017. This effort resulted in the identification, recording, and evaluation of the Mercury Historic District, as well as the identification of its contributing components. This district was recommended eligible to the National Register of Historic Places (NRHP or National Register) under Criteria A and C, but was unevaluated under Criteria B and D at that time. The Mercury Historic District contains 153 individual landscapes, buildings, and structures. Of these resources, DRI recommends all except one as contributing elements of the historic district during its period of significance corresponding to nuclear testing from 1951 through 1992. During most of the Cold War, the land now called the NNSS was referred to as the Nevada Test Site (NTS). This report evaluates resources dating to the 1950s and 1960s between Jangle and Knothole Streets and south of Ranger Avenue in Mercury prior to the proposed demolition of all resources in that area between Sandstone and Greenhouse Avenues as a phase of the larger modernization program mentioned above. Although the Mercury Historic District as a whole is eligible to the National Register, further evaluation of these properties, as detailed in this report, indicates that none are individually eligible under any of the Secretary of Interior’s Significance Criteria, either at the national or local level.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Safety Case for Service Contracts

Safety cases developed for the Facilities Management and Operations Center (FMOC) are based on the requirements in MN471021, Work Planning and Control Criteria for Safe Design and Operations. The FMOC performs maintenance activities in various locations at Sandia National Laboratories, New Mexico (SNL/NM). SNL/NM consists of more than 6,000,000 square feet of buildings, structures, and site infrastructure on approximately 13,000 acres of land. The FMOC performs approximately 7500 service contract work orders a year to assist with operations and maintenance at the SNL/NM site and facilities. As part of the continual improvement process, this Safety Case will be reviewed and updated, as needed, or at a minimum every three years. People tend to underestimate the probability of an accident if none have occurred previously or if the person performing the work is skilled, and they tend to trust each other’s competence. Human error within systems must be identified and considered. The FMOC uses failure mode analysis (FMA) to determine how a system might fail and cause accidents, as well as the amount and types of controls needed. The FMOC includes interconnected elements, such as people, environment, procedures, facilities, equipment, and the hazards identified in the work analysis. A daily pre-task plan is required prior to any work activity. Changes in work practices will be communicated clearly to all service contractors and personnel by way of contractor pre-task planning, activity-specific plans, contract amendments, and/or training. The FMOC has created a safe-by-design intent approach for service contract execution starting at the planning stage and extending through the execution phase. The Safety Program (see Figure 2) summarizes how the FMOC connects work analysis elements with service contracts.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2017

Up-skilling and Re-skilling for the Nuclear Industry - 17276

In the UK, nuclear skills and qualifications have been the subject of several studies in higher levels of Government, including one by UK Cabinet Office. The newly formed UK Nuclear Skills Strategy Group (NSSG) has been tasked with addressing the current skills and people gaps for the UK nuclear industry. The NSSG is working with several key organisations in the UK: The National Skills Academy for Nuclear, (NSAN), which covers skills interventions, training and workforce development and experience, and the newly forming National College for Nuclear (NCfN) which will become a nuclear qualifications awarding body, regulating educational qualifications and curriculum in the nuclear sector. The NSSG has published its own UK Nuclear Skills Strategy in December 2016, aligned to the UK Cabinet Office study. It is the intent that, in the near future, nuclear qualifications and experience will be directly transferable across different organisations and nuclear sites in the UK, enabling the maintenance of high standards of behaviours and improved mobility throughout the sector. The UK needs to maintain and grow a diverse workforce and nuclear Suitably Qualified and Experienced Personnel (SQEP) people. The 2015 UK Nuclear Labour Market Intelligence (LMI) report, produced by Cogent for the Nuclear Energy Skills Alliance (NESA), concluded that the total nuclear workforce demand for the UK Nuclear Civil and Defence sector needed to grow by 33,000 people in the next five years, which includes replacement and expansion demand. This involved all disciplines and grades, with for example, higher level skilled workers needing to increase by 2200 FTEs every year. The main discipline pinch points were in, for example, Mechanical; Electrical; Project Management; Safety Case Specialists; Commissioning Engineers. Of the overall workforce, around 10% is over 60 years old and around 38% is over 50 years old. Jacobs in the UK is widely involved in many aspects of skills and competence development, with active involvement in local and national training programmes, and driving new methodologies to accelerate our staff's journey to nuclear competence. As well as looking at the immediate future, there is a risk in the UK that, over the 120-year plus clean-up mission, there won't be enough people with the right skills. Jacobs is developing sustainable solutions to this in our skills and development strategy for the nuclear sector. Jacobs has developed a variety of approaches to help us maintain and grow our diverse workforce and nuclear 'SQEP' people. This includes: - Identifying and developing our employees' technical and personal skills and capabilities, particularly the requirements of our millennials in both technical and social aspects of their working lives. - Identifying and planning for our future skills needs to meet our projected business requirements. - Our programme to transfer skilled employees from other sectors into the nuclear industry. - Our extensive school student placement scheme, aligned to the UK's 'Industrial Cadet' scheme, which has helped to bring school-aged students into Jacobs on workplace experience. - Our collaboration with our customers to develop UK national level Trailblazer Apprentice programmes. - Our involvement at a UK national level in the work of the National Skills Academy for Nuclear (NSAN), the Nuclear Energy Skills Alliance (NESA) High Level Skills Committee and the newly forming UK National College for Nuclear (NCfN). - Our work to ensure diversity is valued in our workplace, for example in our involvement in 'Women in Nuclear'. (authors)

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2019

ROBOT: A Tool for Automating Ontology Workflows

BACKGROUND:Ontologies are invaluable in the life sciences, but building and maintaining ontologies often requires a challenging number of distinct tasks such as running automated reasoners and quality control checks, extracting dependencies and application-specific subsets, generating standard reports, and generating release files in multiple formats. Similar to more general software development, automation is the key to executing and managing these tasks effectively and to releasing more robust products in standard forms. For ontologies using the Web Ontology Language (OWL), the OWL API Java library is the foundation for a range of software tools, including the Protégé ontology editor. In the Open Biological and Biomedical Ontologies (OBO) community, we recognized the need to package a wide range of low-level OWL API functionality into a library of common higher-level operations and to make those operations available as a command-line tool. RESULTS:ROBOT (a recursive acronym for "ROBOT is an OBO Tool") is an open source library and command-line tool for automating ontology development tasks. The library can be called from any programming language that runs on the Java Virtual Machine (JVM). Most usage is through the command-line tool, which runs on macOS, Linux, and Windows. ROBOT provides ontology processing commands for a variety of tasks, including commands for converting formats, running a reasoner, creating import modules, running reports, and various other tasks. These commands can be combined into larger workflows using a separate task execution system such as GNU Make, and workflows can be automatically executed within continuous integration systems. CONCLUSIONS:ROBOT supports automation of a wide range of ontology development tasks, focusing on OBO conventions. It packages common high-level ontology development functionality into a convenient library, and makes it easy to configure, combine, and execute individual tasks in comprehensive, automated workflows. This helps ontology developers to efficiently create, maintain, and release high-quality ontologies, so that they can spend more time focusing on development tasks. It also helps guarantee that released ontologies are free of certain types of logical errors and conform to standard quality control checks, increasing the overall robustness and efficiency of the ontology development lifecycle.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2023

An integrated online radioassay data storage and analytics tool for nEXO

Large-scale low-background detectors are increasingly used in rare-event searches as experimental collaborations push for enhanced sensitivity. However, building such detectors, in practice, creates an abundance of radioassay data especially during the conceptual phase of an experiment when hundreds of materials are screened for radiopurity. A tool is needed to manage and make use of the radioassay screening data to quantitatively assess detector design options. We have developed a Materials Database Application for the nEXO experiment to serve this purpose. Furthermore, this paper describes this database application, explains how it functions, and discusses how it streamlines the design of the experiment.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Proceedings for the Workshop on Applied Nuclear Data Activities 2025

The 2025 Workshop for Applied Nuclear Data Activities (WANDA) covered four topic areas in nuclear data: Nuclear Data and Deterrence, Nuclear Data Prioritization for Fusion, High-Assay Low-Enriched Uranium and Novel Moderators for Advanced Reactors, and Data Preservation and Data Workflows. The intention of this workshop is to connect different communities that are invested in nuclear data and have their own unique sets of needs for the purposes of sharing information, fostering collaboration in areas of shared interest, and leveraging synergistic capabilities. The attendance of federal program managers at these workshops is essential in creating awareness of the needs of their respective communities and in providing information to better guide funding investments. In each of these topical sessions, a general description of the nuclear data needs and/or capabilities was presented, along with discussions of existing capabilities that could be leveraged, potential synergistic needs or resources, and challenges that must be overcome for the application space to progress. There are many synergistic nuclear data needs among these application spaces. The discussion largely focused on increasing the accuracy of the nuclear data and better quantifying the data uncertainties that have the greatest impact on applications. The full-day session on data processing and data workflows was by nature intended to be synergistic and applicable to all technical sessions at WANDA. A notable common theme that was highlighted across all sessions was the need for accelerated delivery of nuclear data products across complex and time-consuming workflows.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

BEAM: A Computational Workflow System for Managing and Modeling Material Characterization Data in HPC Environments

Improvements in scientific instrumentation allow imaging at mesoscopic to atomic length scales, many spectroscopic modes, and now—with the rise of multimodal acquisition systems and the associated processing capability—the era of multidimensional, informationally dense data sets has arrived. Technical issues in these combinatorial scientific fields are exacerbated by computational challenges best summarized as a necessity for drastic improvement in the capability to transfer, store, and analyze large volumes of data. The Bellerophon Environment for Analysis of Materials (BEAM) platform provides material scientists the capability to directly leverage the integrated computational and analytical power of High Performance Computing (HPC) to perform scalable data analysis and simulation via an intuitive, cross-platform client user interface. This framework delivers authenticated, “push-button” execution of complex user workflows that deploy data analysis algorithms and computational simulations utilizing the converged compute-and-data infrastructure at Oak Ridge National Laboratory's (ORNL) Compute and Data Environment for Science (CADES) and HPC environments like Titan at the Oak Ridge Leadership Computing Facility (OLCF). In this work we address the underlying HPC needs for characterization in the material science community, elaborate how BEAM's design and infrastructure tackle those needs, and present a small sub-set of user cases where scientists utilized BEAM across a broad range of analytical techniques and analysis modes.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2020

The FLUXNET2015 dataset and the ONEFlux processing pipeline for eddy covariance data

The FLUXNET2015 dataset provides ecosystem-scale data on CO2, water, and energy exchange between the biosphere and the atmosphere, and other meteorological and biological measurements, from 212 sites around the globe (over 1500 site-years, up to and including year 2014). These sites, independently managed and operated, voluntarily contributed their data to create global datasets. Data were quality controlled and processed using uniform methods, to improve consistency and intercomparability across sites. The dataset is already being used in a number of applications, including ecophysiology studies, remote sensing studies, and development of ecosystem and Earth system models. FLUXNET2015 includes derived-data products, such as gap-filled time series, ecosystem respiration and photosynthetic uptake estimates, estimation of uncertainties, and metadata about the measurements, presented for the first time in this paper. In addition, 206 of these sites are for the first time distributed under a Creative Commons (CC-BY 4.0) license. This paper details this enhanced dataset and the processing methods, now made available as open-source codes, making the dataset more accessible, transparent, and reproducible.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2018

Data Sharing and Scientific Impact in Eddy Covariance Research

Do the benefits of data sharing outweigh its perceived costs? This is a critical question, and one with the potential to change culture and behavior. Dai et al. (2018) examine how data sharing is related to scientific impact in the field of eddy covariance (EC), and find that data sharers are disproportionately high-impact researchers, and vice versa; they also note strong regional differences in EC data sharing norms. The current policies and restrictions of EC journals and repositories are highly uneven. Incentivizing data sharing and enhancing computational reproducibility are critical next steps for EC, ecology, and science more broadly.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2023

Meeting Report on the 3rd Chinese American Society for Mass Spectrometry Conference—Advancing Biological and Pharmaceutical Mass Spectrometry

Following the highly successful Chinese American Society for Mass Spectrometry (CASMS) conferences in the previous 2 years, the 3rd CASMS Conference was held virtually on August 28–31, 2023, using the Gather. Town platform to bring together scientists in the MS field. The conference offered a 4-day agenda with a scientific program consisting of two plenary lectures, and 14 parallel symposia in which a total of 70 speakers presented technological innovations and their applications in proteomics and biological MS and metabo-lipidomics and pharmaceutical MS. In addition, 16 invited speakers/panelists presented at two research-focused and three career development workshops. Moreover, 86 posters, 12 lightning talks, 3 sponsored workshops, and 11 exhibitions were presented, from which 9 poster awards and 2 lightning talk awards were selected. Furthermore, the conference featured four young investigator awardees to highlight early-career achievements in MS from our society. In conclusion, the conference provided a unique scientific platform for young scientists (i.e. graduate students, postdocs, and junior faculty/investigators) to present their research, meet with prominent scientists, learn about career development, and job opportunities (http://casms.org).

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗