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At least 19 records

ADNDT's enduring distinct role in the scientific publishing ecosystem

September 2024 marks an important anniversary for Atomic Data and Nuclear Data Tables – the 55th year since the inaugural edition in September 1969 – and prompts noting the enduring distinct service the journal has delivered, and continues to deliver, to the scientific community.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Language Barriers in Organismal Biology: What Can Journals Do Better?

Synopsis In the field of organismal biology, as in much of academia, there is a strong incentive to publish in internationally recognized, highly regarded, English-language journals to promote career advancement. This expectation has created a linguistic hegemony in scientific publishing, whereby scholars for whom English is an additional language face additional barriers to achieving the same scientific recognition as scholars who speak English as a first language. Here, we surveyed the author guidelines of 230 journals in organismal biology with impact factors of 1.5 or greater for linguistically inclusive and equitable practices and policies. We looked for efforts that reflect first steps toward reducing barriers to publication for authors globally, including the presence of statements that encouraged submissions from authors of diverse nationalities and backgrounds, policies regarding manuscript rejection based on perceived inadequacies of the English language, the existence of bias-conscious reviewer practices, whether translation and editing resources or services are available, allowance for non-English abstracts, summaries, or translations, and whether journals offer license options that would permit authors (or other scholars) to translate their work and publish it elsewhere. We also directly contacted a subset of journals to verify whether the information on their author guidelines page accurately reflects their policies and the accommodations they would make. We reveal that journals and publishers have made little progress toward beginning to recognize or reduce language barriers. Counter to our predictions, journals associated with scientific societies did not appear to have more inclusive policies compared to non-society journals. Many policies lacked transparency and clarity, which can generate uncertainty, result in avoidable manuscript rejections, and necessitate additional time and effort from both prospective authors and journal editors. We highlight examples of equitable policies and summarize actions that journals can take to begin to alleviate barriers to scientific publishing.

Nolde-Lopez, B.↗

Analysis and interpretation of high energy cosmic rays measured on Spacelab-2

Under the contract with NASA's Marshall Space Flight Center (NAS8-32828) the University of Chicago designed, built and delivered the CRN instrument for flight in the Spacelab-2 configuration. The instrument was flown from July 29 to August 5, 1985 on the Space Shuttle Challenger. The performance of our experiment was entirely successful and we reached our scientific goals. The contract included funds for the first year of data analysis. Further data analysis was carried out under the grant NAGW-1311 which ran from January 1, 1988 through December 31, 1990, and on which we report. The final products of this grant are the published scientific papers with the results from the experiment. We attach copies of the papers that have been published to date, and which we consider the most important part of this report. However, in order to put them into context we give a brief account of the project as a whole for which the grant covered the final phase.

Mueller, Dietrich↗

Misleading Performance Reporting in the Supercomputing Field

In a previous humorous note, I outlined twelve ways in which performance figures for scientific supercomputers can be distorted. In this paper, the problem of potentially misleading performance reporting is discussed in detail. Included are some examples that have appeared in recent published scientific papers. This paper also includes some proposed guidelines for reporting performance, the adoption of which would raise the level of professionalism and reduce the level of confusion in the field of supercomputing.

Bailey, David H.↗

PDBx/mmCIF Ecosystem: Foundational Semantic Tools for Structural Biology

PDBx/mmCIF, Protein Data Bank Exchange (PDBx) macromolecular Crystallographic Information Framework (mmCIF), has become the data standard for structural biology. With its early roots in the domain of small-molecule crystallography, PDBx/mmCIF provides an extensible data representation that is used for deposition, archiving, remediation, and public dissemination of experimentally determined three-dimensional (3D) structures of biological macromolecules by the Worldwide Protein Data Bank (wwPDB, wwpdb.org). Extensions of PDBx/mmCIF are similarly used for computed structure models by ModelArchive (modelarchive.org), integrative/hybrid structures by PDB-Dev (pdb-dev.wwpdb.org), small angle scattering data by Small Angle Scattering Biological Data Bank SASBDB (sasbdb.org), and for models computed generated with the AlphaFold 2.0 deep learning software suite (alphafold.ebi.ac.uk). Community-driven development of PDBx/mmCIF spans three decades, involving contributions from researchers, software and methods developers in structural sciences, data repository providers, scientific publishers, and professional societies. Having a semantically rich and extensible data framework for representing a wide range of structural biology experimental and computational results, combined with expertly curated 3D biostructure data sets in public repositories, accelerates the pace of scientific discovery. Herein, we describe the architecture of the PDBx/mmCIF data standard, tools used to maintain representations of the data standard, governance, and processes by which data content standards are extended, plus community tools/software libraries available for processing and checking the integrity of PDBx/mmCIF data. Use cases exemplify how the members of the Worldwide Protein Data Bank have used PDBx/mmCIF as the foundation for its pipeline for delivering Findable, Accessible, Interoperable, and Reusable (FAIR) data to many millions of users worldwide.

59 BASIC BIOLOGICAL SCIENCES↗

Knowledge-based assistance for science visualization and analysis using large distributed databases

Within this decade, the growth in complexity of exploratory data analysis and the sheer volume of space data require new and innovative approaches to support science investigators in achieving their research objectives. To date, there have been numerous efforts addressing the individual issues involved in inter-disciplinary, multi-instrument investigations. However, while successful in small scale, these efforts have not proven to be open and scaleable. This proposal addresses four areas of significant need: scientific visualization and analysis; science data management; interactions in a distributed, heterogeneous environment; and knowledge-based assistance for these functions. The fundamental innovation embedded within this proposal is the integration of three automation technologies, namely, knowledge-based expert systems, science visualization and science data management. This integration is based on the concept called the Data Hub. With the Data Hub concept, NASA will be able to apply a more complete solution to all nodes of a distributed system. Both computation nodes and interactive nodes will be able to effectively and efficiently use the data services (access, retrieval, update, etc.) with a distributed, interdisciplinary information system in a uniform and standard way. This will allow the science investigators to concentrate on their scientific endeavors, rather than to involve themselves in the intricate technical details of the systems and tools required to accomplish their work. Thus, science investigators need not be programmers. The emphasis will be on the definition and prototyping of system elements with sufficient detail to enable data analysis and interpretation leading to publishable scientific results. In addition, the proposed work includes all the required end-to-end components and interfaces to demonstrate the completed concept.

Handley, Thomas H., Jr.↗

Knowledge-based assistance for science visualization and analysis using large distributed databases

Within this decade, the growth in complexity of exploratory data analysis and the sheer volume of space data require new and innovative approaches to support science investigators in achieving their research objectives. To date, there have been numerous efforts addressing the individual issues involved in inter-disciplinary, multi-instrument investigations. However, while successful in small scale, these efforts have not proven to be open and scalable. This proposal addresses four areas of significant need: scientific visualization and analysis; science data management; interactions in a distributed, heterogeneous environment; and knowledge-based assistance for these functions. The fundamental innovation embedded with this proposal is the integration of three automation technologies, namely, knowledge-based expert systems, science visualization and science data management. This integration is based on concept called the DataHub. With the DataHub concept, NASA will be able to apply a more complete solution to all nodes of a distributed system. Both computation nodes and interactive nodes will be able to effectively and efficiently use the data services (address, retrieval, update, etc.) with a distributed, interdisciplinary information system in a uniform and standard way. This will allow the science investigators to concentrate on their scientific endeavors, rather than to involve themselves in the intricate technical details of the systems and tools required to accomplish their work. Thus, science investigators need not be programmers. The emphasis will be on the definition and prototyping of system elements with sufficient detail to enable data analysis and interpretation leading to publishable scientific results. In addition, the proposed work includes all the required end-to-end components and interfaces to demonstrate the completed concept.

Handley, Thomas H., Jr.↗

3rd Annual NASA Ames Space Science and Astrobiology Jamboree

The Space Science and Astrobiology Division at NASA Ames Research Center consists of over 50 civil servants and more than 110 contractors, co-­‐ops, post-­‐docs and associates. Researchers in the division are pursuing investigations in a variety of fields including exoplanets, planetary science, astrobiology and astrophysics. In addition, division personnel support a wide variety of NASA missions including (but not limited to) Kepler, SOFIA, LADEE, JWST, and New Horizons. With such a wide variety of interesting research going on, distributed among three branches in at least 5 different buildings, it can be difficult to stay abreast of what one's fellow researchers are doing. Our goal in organizing this symposium is to facilitate communication and collaboration among the scientists within the division, and to give center management and other ARC researchers and engineers an opportunity to see what scientific research and science mission work is being done in the division. We are also continuing the tradition within the Space Science and Astrobiology Division to honor one senior and one early career scientist with the Pollack Lecture and the Early Career Lecture, respectively. With the Pollack Lecture, our intent is to select a senior researcher who has made significant contributions to any area of research within the space sciences, and we are pleased to honor Dr. William Borucki this year. With the Early Career Lecture, our intent is to select a young researcher within the division who, by their published scientific papers, shows great promise for the future in any area of space science research, and we are pleased to honor Dr. Melinda Kahre this year

Dotson, Jessie↗

NASA Ames Space Science and Astrobiology: 4th Annual Jamboree

Welcome to the Fourth Annual Ames Space Sciences and Astrobiology Jamboree! The Space Science and Astrobiology Division at NASA Ames Research Center consists of over 50 civil servants and more than 110 contractors, co-­‐ops, post-­‐docs and associates. Researchers in the division are pursuing investigations in a variety of fields including exoplanets, planetary science, astrobiology and astrophysics. In addition, division personnel support a wide variety of NASA missions including (but not limited to) Kepler, SOFIA, LADEE, JWST, and New Horizons. With such a wide variety of interesting research going on, distributed among three branches in at least 5 different buildings, it can be difficult to stay abreast of what one’s fellow researchers are doing. Our goal in organizing this symposium is to facilitate communication and collaboration among the scientists within the division, and to give center management and other ARC researchers and engineers an opportunity to see what scientific research and science mission work is being done in the division. We are also continuing the tradition within the Space Science and Astrobiology Division to honor one senior and one early career scientist with the Pollack Lecture and the Early Career Lecture, respectively. With the Pollack Lecture, our intent is to select a senior researcher who has made significant contributions to any area of research within the space sciences, and we are pleased to honor Dr. David DesMarais this year. With the Early Career Lecture, our intent is to select a young researcher within the division who, by their published scientific papers, shows great promise for the future in any area of space science research, and we are pleased to honor Dr. Christiaan Boersma this year.

Dotson, Jessie↗

SeaWiFS technical report series. Volume 21: The heritage of SeaWiFS. A retrospective on the CZCS NIMBUS Experiment Team (NET) program

The Sea-viewing Wide Field-of-view Sensor (SeaWiFS) mission is based on the scientific heritage of the Coastal Zone Color Scanner (CZCS), a proof-of-concept instrument carried on the National Aeronautics and Space Administration (NASA) NIMBUS-7 environmental satellite for the purpose of measuring upwelling radiance from the ocean surface. The CZCS mission provided the first observations of ocean color from space, and over the mission lifetime of 1978-1986, allowed oceanographers an initial opportunity to observe the variable patterns of global biological productivity. One of the key elements of the CZCS mission was the formation of the CZCS NIMBUS Experiment Team (NET), a group of optical physicists and biological oceanographers. The CZCS NET was designated to validate the accuracy of the CZCS radiometric measurements and to connect the instrument's measurements to standard measures of oceanic biological productivity and optical seawater clarity. In the period following the cessation of CZCS observations, some of the insight and experience gained by the CZCS NET activity has dissipated as several proposed follow-on sensors failed to achieve active status. The Sea WiFS mission will be the first dedicated orbital successor to CZCS it in turn precedes observations by the Moderate Resolution Imaging Spectroradiometer (MODIS) of the Earth Observing System (EOS). Since the CZCS NET experience is an important model for Sea WiFS and MODIS surface truth efforts, this document is intended to provide a comprehensive review of the validation of oceanographic data for the first orbital ocean color sensor mission. This document also summarizes the history of the CZCS NET activities. The references listed in the Bibliography are a listing of published scientific research which relied upon the CZCS BET algorithms, or research which was conducted on the basis of CZCS mission elements.

Acker, James G.↗

A thermoelectric materials database auto-generated from the scientific literature using ChemDataExtractor

An auto-generated thermoelectric-materials database is presented, containing 22,805 data records, automatically generated from the scientific literature, spanning 10,641 unique extracted chemical names. Each record contains a chemical entity and one of the seminal thermoelectric properties: thermoelectric figure of merit, ZT; thermal conductivity, κ; Seebeck coefficient, S; electrical conductivity, σ; power factor, PF; each linked to their corresponding recorded temperature, T. The database was auto-generated using the automatic sentence-parsing capabilities of the chemistry-aware, natural language processing toolkit, ChemDataExtractor 2.0, adapted for application in the thermoelectric-materials domain, following a rule-based sentence-simplification step. Data were mined from the text of 60,843 scientific papers that were sourced from three scientific publishers: Elsevier, the Royal Society of Chemistry, and Springer. To the best of our knowledge, this is the first automatically-generated database of thermoelectric materials and their properties from existing literature. The database was evaluated to have a precision of 82.25% and has been made publicly available to facilitate the application of data science in the thermoelectric-materials domain, for analysis, design, and prediction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modern version of the uncited 1938 experiment that first observed DT fusion

Experiments are described, and results are provided, for the duplication of the first-ever triton-deuterium (colloquially referred to as DT) fusion experiment accidentally performed by A.J. Ruhlig in 1938, but forgotten in the published scientific literature. Here, we find that Ruhlig overestimated the ratio of the triton-deuterium over deuteron-deuterium neutron yields in his secondary reaction (Reaction-in-Flight) experiment compared to modern theoretical calculations and our duplication of his experiment using modern neutron detection methods. Nevertheless, Ruhlig’s observation provided the motivation for the application of DT fusion after World War II and its more recent importance in peaceful energy production at DT fusion facilities around the world. Additionally, the experimental technique used in the present work provides a novel approach for checking on low-energy triton stopping powers in deuterium containing compounds.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Fusion Materials Research at Oak Ridge National Laboratory in FY2019

This is the eighth Annual report of the Oak Ridge National Laboratory (ORNL) program aimed at developing and qualifying materials that can meet the application requirements of fusion power systems, especially the near-plasma regions of those systems. Earlier issues of these annual reports can be found at the Fusion Materials Program website; more detailed reporting for those and many earlier years are contained in the series of Semiannual Progress reports at the same website, and the detailed results of the program are contained in the published scientific literature.

36 MATERIALS SCIENCE↗

Review of Literature Related to Nuclear Data Mini-Apps

his document reviews nuclear data mini-apps prevalent in the published scientific literature. It is intended to identify algorithmic and computer architecture considerations of relevance to optimizing GIDI/MCGIDI for GPU-based architectures. While some of the works considered here focus on CPU-based architectures, the performance-limiting factors and mitigating strategies identified often extend to GPU-based architectures, particularly in the context of latency-bound performance. A brief overview of the cross section (XS) lookup process is given in Section 1 and a detailed analysis of nuclear data mini-apps follows in Section 2. Concluding remarks are offered in Section 3.

42 ENGINEERING↗

LDRD FY25 Program Overview

As Lawrence Livermore National Laboratory’s (LLNL’s) Laboratory Directed Research and Development (LDRD) program enters its fifth decade of leading-edge research and development, its impact and importance have never been stronger. The program continues to advance strategic investments in pioneering science, technology, and engineering, ensuring LLNL will be ready to deliver on our mission as it evolves over the coming decades. Investing in LDRD research, and the people who perform this critical work, gives LLNL the ability to sustain our role as a leader in the Department of Energy and National Nuclear Security Administration enterprise. The LDRD program enables high-risk, high-payoff research that anticipates emerging threats and future mission needs. By nurturing the ingenuity of the Lab’s greatest asset, its people, LDRD funding advances not only our research but also grows and nurtures our workforce: engaging future innovators with student mentoring, challenging postdoctoral researchers to apply their skills to support national security, and strengthening the leadership skills of early career staff. This annual report documents how LDRD investments advance LLNL’s science, technology, and engineering across our mission space. To assess LDRD’s impact we track both short and long-term metrics such as peer-reviewed publications, number of students, or professional fellows. In addition to reviewing these metrics, I encourage you to delve deeper into the breadth of science and technology that illustrate the strategic value of this research portfolio. For instance, a recent exploratory research project used advanced manufacturing to construct miniaturized three-dimensional ion traps for a quantum computer with reduced quantum error rates to enable applications that address national security missions and support basic science. Another project has delved into studying detonation by examining deflagration to enhance the safety and security of the nuclear weapons stockpile. LDRD researchers are also deploying AI agents on two of the world’s most powerful supercomputers to automate and accelerate inertial confinement fusion experiments. Other teams are delivering more accurate optical constants to enable improved validation for aluminum to advance atomic and molecular physics models. LDRD-driven discoveries of how metals deform under extreme conditions strengthen our ability to model and design materials for demanding national security environments. National security challenges are increasingly complex and continuously evolving. LDRD focuses our most innovative science and technology on these challenges, ensuring the Laboratory is developing creative, forward-leaning solutions for our nation and the world. The following pages feature highlights of published scientific advances, patents, and honors that stem from LDRD investments. As you read this report, I hope you will understand how these investments position the Laboratory, and our partners, to meet the demands of the decades ahead.

36 MATERIALS SCIENCE↗

Green Concrete with Glass Powder—A Literature Review

This paper represents a literature review of the effects of partially replacing cement with glass powder in concrete production, aiming to provide an enhanced elucidation of 78 published scientific articles between 2015 and 2023. Vigorous inclusion criteria were employed to accomplish this objective, such as focusing only on glass powder usage instead of cement, considering both conventional and unconventional concretes, and summarizing the physical, mechanical, durability, and morphological characteristics. It has been attempted not only to discuss the factors that contribute to similarities and differences but also to interpret associations and concerns as well as propose future research directions based on the identified gaps. The literature review reveals that using glass powder looks captivating and has higher mechanical and durability properties with environmentally friendly advantages simultaneously due to its filler and pozzolanic characteristics, especially in smaller sizes. The findings of this study are expected to promote sustainable and environmentally conscious practices beyond the current scope of research.

Hassani, Mohammad Sheikh↗

A Carbon Dioxide Refinery: The Core of a Sustainable Carbon-based Circular Economy

The atmospheric carbon dioxide (CO 2 ) accumulation (2–2.5 ppmv/year) is the result of the enormous gap between its emissions (37 Gton/year) and its capture, storage, and utilization (<500 Mton/year). Climate has been dramatically affected due to the failure of natural sinks, in working effectively. To address this Gton-scale gap, numerous uses and applications are needed particularly, those consuming vast volumes of this compound and/or rendering longevous products or long lifecycle services. Thus, carbon utilization (CU) can be seen as the step to close the carbon cycle. Among CU, R&D on CO 2 chemical conversion has proposed a variety of processes, with different degrees of developmental maturity. These chemical process technologies could be efficiently and effectively integrated into refineries to upgrade emitted CO 2 . A technology pipeline consisting of a database of these processes and the technology market status should be defined based on published scientific results and patents. Then, an innovative top-down methodology is proposed to eco-design configurations of that refinery, to warrant a sustainable carbon cycle (in terms of energy, environment, and economy) and to change the ways of producing fuels, chemicals, and materials. Additionally, the proposed methodology could be used to identify research and development gaps and needs, for orienting science and technology investments and measures. Hopefully, sustainable CO 2 refineries will be implemented to close the carbon cycle of a circular C-based economy and underpin a decarbonized chemical industry.

54 ENVIRONMENTAL SCIENCES↗