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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

The Importance of Chemical Research to the U.S. Economy

Chemistry plays a pivotal role in the strength of the U.S. economy and the advancement of humankind. Chemists' achievements include life-saving pharmaceuticals, advanced energy solutions, improved agricultural productivity, and novel materials used in products from clothing to electronic devices. The many sectors reliant on the U.S. chemical economy account for about 25% of the U.S. GDP and support 4.1 million U.S. jobs. However, a new and evolving chemistry landscape requires changes with regard to funding, training, and a focus on integrating sustainability into manufacturing, product usage, and product disposal. This report identifies strategies and options for research investments that will support U.S. leadership while considering environmental sustainability and developing a diverse chemical economy workforce with equitable opportunities for all chemistry talent. The report recommends that funding agencies and philanthropic organizations who support the chemical sciences fund as large a breadth of fundamental research projects as possible. Chemical industry and their partners at universities, scientific research institutions, and national laboratories should align the objectives of fundamental research to directly assist with new practices toward environmental stewardship, sustainability, and clean energy. Additionally, the report recommends that funding agencies make substantial investment toward education research to enable innovative ways of teaching about emerging concepts, tools and technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2004

Medical/Scientific Illustration And Production Of Otological Health Awareness Materials

Over the past year, I have worked for my mentor, Beth Cooper, on a large variety of projects. Beth is the Manager of the Acoustical Testing Laboratory, which tests the acoustical emissions of payloads destined for the International Space Station. She is also responsible for educating, and developing new methods of educating, people of all occupational and educational backgrounds in hearing conservation. Beth spends much of her time developing new materials and strategies with which to train people and teach other people to train people in hearing conservation and noise emissions control. I have been helping Beth develop and market these materials by way of graphic design and scientific illustration. Last summer, I spent much of my time creating educational illustrations that visually explained particular concepts in Beth's presentations. Sometimes these illustrations were small "comics" while, at other times, they were an instructional series of illustrations. Since then, Beth and her lab have been developing and updating some materials which will be distributed free to hearing conservation and noise control professionals and others in related fields. I have helped with these projects by designing their packaging. In each instance, it was my responsibility to develop an aesthetically appealing package that would also, through its imagery, describe or summarize the contents of the product. I did this for 3 CD's (Auditory Demonstrations 11, MACSUG, and JeopEARdy) and saw them through their actual production and distribution. In addition to working with Beth, I work with the Imaging Technology Center on various imaging projects. Some of my activities include photo retouching and manipulation for videos and print. This summer, I also had the opportunity to develop a screen saver that would show of some of the photography contained on the soon-to-be-released "Highlights of the GRC Image Archives, vol. 2". I was also able to utilize my medical training to help several of ITC s videographers identify the best histological examples of cancerous cells for incorporation in one of their videos. Over the last part of this summer and then throughout the school year, I will be working with Beth to develop a "pre-packaged" lecture series about the physics of acoustics in the context of hearing conservation. These lectures will be used to teach people of all backgrounds the fundamental concepts involved in acoustical physics so they might be better aware of their own and others auditory health in and out of the work place, and, in the case of payload developers, to design and build more quiet science experiments for the ISS. Even though it may not seem as such, this project is precisely what I am learning to do as a student of the Cleveland Institute of Art's Medical Illustration Department. From my perspective, this project is about taking technical information and translating it into terms that anyone, regardless of background, can understand.

Hawes, Nicholas E.↗
NASA NTRSDate not supplied

Sensorimotor Countermeasures

Exploration class missions will include multiple transitions between gravitational environments, sometimes after long periods in microgravity, which will impact the neurovestibular system and sensorimotor capabilities. New countermeasures and assessment tools are needed to enhance preflight disorientation training, maintain inflight physical performance, and accelerate recovery following transitions between gravity environments so that crew are enabled to perform critical exploration mission tasks. The Sensorimotor Countermeasures capability area encompasses three projects. 1) The Upright Proprioception Retention via Inflight Training and Evaluation (UPRITE) system is being developed as an in-flight countermeasure that will mitigate the degradation of balance control mechanisms, which will improve post-flight postural stability. The development of such a countermeasure is not simply a matter of adapting a ground-based training program for spaceflight. The way that we control balance in a gravitational environment cannot be duplicated in 0g. Therefore, the UPRITE system challenges proprioception and tactile function using a 0g configuration. The steps to develop the countermeasure have been broken into seven phases: training type, controllable board factors, protocol development, 0g hardware test, training efficacy, ISS hardware demonstration, and countermeasure verification. 2) Unobtrusive Monitoring Tools and Operational Assessments (aka Head/Body Assessments) are being developed to quantify crew member sensorimotor adaptation following gravitational transitions. Three areas are needed in this development 1) explore, develop, and validate unobtrusive monitoring tools, 2) define sensorimotor performance metrics, and 3) explore capabilities to enhance sensorimotor assessment tasks for operational use and validate assessment tasks via high-fidelity analogs. 3) The Spatial Disorientation Trainer is being developed as a portable training capability to simulate the performance of landing and recovery type tasks while experiencing vertigo due to post-flight vestibular alterations. These simulations can be used 1) across research studies investigating the impacts of vestibular disruption on operational performance/assessments, 2) to train astronauts for upcoming spaceflight missions, and 3) to educate space medicine and operational personnel prior to providing post-flight support.

Scott Jonathan Wood↗
DOE OSTI2022

Artificial Intelligence for Accelerating Nuclear Applications, Science, and Technology

Artificial intelligence (AI) and machine learning (ML) methods have had significant impacts in science and technology in recent years. These methods for generating models from datasets or logic-based algorithms that emulate aspects of human performance can similarly accelerate the fields of nuclear applications, science, and technology toward the IAEA goals of contributing to peace, health, and prosperity. In order to accomplish advances with AI in general and ML in particular across these fields, IAEA can play a significant role by establishing, hosting and curating centralised resources, including databases, adhering to FAIR (findable, accessible, interoperable and reusable) principles and Open Science best practices, providing stewardship of data sharing, supporting training efforts and development of relevant workforces, as well as enabling connections among the scientific, technology, mathematics, AI and ethics communities. Many areas can benefit from the use of AI in the realm of nuclear applications. In human health, these areas include clinical research, epidemiology, nutrition, medical imaging, radiotherapy and education of health professionals. AI-based tools are also being used to facilitate different clinical tasks in imaging, computer-assisted diagnosis in mammography and lung cancer screening programmes, and dose prediction in nuclear medicine procedures. ML methods in particular may also increase the efficiency and accuracy of the analysis of computerised tomography and dual-energy absorptiometry scans for body composition and bone analysis. The application of AI methods to nuclear and related technologies in food and agriculture can lead to significant advances and improved efficiency in the optimisation of agricultural production, food product development, management of supply chains, food safety and food authenticity control. In the water and environmental sector, AI can help inform policies to mitigate the world’s water problems. The application of AI techniques to hydrology and environmental sciences is expected to improve patterns identification and enable model predictions under a changing climate.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2008

Assessment of the NASA Astrobiology Institute

Astrobiology is a scientific discipline devoted to the study of life in the universe--its origins, evolution, distribution, and future. It brings together the physical and biological sciences to address some of the most fundamental questions of the natural world: How do living systems emerge? How do habitable worlds form and how do they evolve? Does life exist on worlds other than Earth? As an endeavor of tremendous breadth and depth, astrobiology requires interdisciplinary investigation in order to be fully appreciated and examined. As part of a concerted effort to undertake such a challenge, the NASA Astrobiology Institute (NAI) was established in 1998 as an innovative way to develop the field of astrobiology and provide a scientific framework for flight missions. Now that the NAI has been in existence for almost a decade, the time is ripe to assess its achievements. At the request of NASA's Associate Administrator for the Science Mission Directorate (SMD), the Committee on the Review of the NASA Astrobiology Institute undertook the assignment to determine the progress made by the NAI in developing the field of astrobiology. It must be emphasized that the purpose of this study was not to undertake a review of the scientific accomplishments of NASA's Astrobiology program, in general, or of the NAI, in particular. Rather, the objective of the study is to evaluate the success of the NAI in achieving its stated goals of: 1. Conducting, supporting, and catalyzing collaborative interdisciplinary research; 2. Training the next generation of astrobiology researchers; 3. Providing scientific and technical leadership on astrobiology investigations for current and future space missions; 4. Exploring new approaches, using modern information technology, to conduct interdisciplinary and collaborative research among widely distributed investigators; and 5. Supporting outreach by providing scientific content for use in K-12 education programs, teaching undergraduate classes, and communicating directly with the public. The committee s assessment of the NAI's progress in these five areas is presented in Chapters 2 to 6, respectively.

Source record↗
DOE OSTI2022

Nuclear Forensics

Nuclear forensics is a key part of the nuclear security strategy for the United States and the international community. The NACS Division is central to the leadership role that LLNL has had in nuclear forensics over the past 25 years. Our current nuclear forensic program includes conducting R&D on provenance and attribution signatures, collaborating with international partners, training the next generation of nuclear forensic experts, developing test materials for verification and validation exercises, and providing expert advice to national and international policy makers. Key to our success in these areas has been the strong and continuing involvement in nuclear forensic casework obtained through law enforcement and intelligence channels as well as our outstanding analytical capabilities. NACS must continue to conduct forward-thinking R&D in nuclear forensics that supports operational programs and addresses intelligence gaps. To maintain leadership in nuclear forensics, we must attract, develop, and retain the best talent. The NNSA has a central leadership role in developing educational initiatives for nuclear forensics. In concert with the Glenn T. Seaborg Institute, the NACS Division will continue to participate in all nuclear forensic educational initiatives (undergraduate, graduate, postdoctoral) and incorporate LLNL’s D&I vision into its student and postdoc recruitment efforts. We will continue to build formal relationships with key academic partners and institutions with active and emerging nuclear forensic research interests. We will also strengthen relationships with NNSA DNN and SSAA funded university consortia (e.g. NSSC, ACE, CNEC, CVT, ETI, MTV), helping them conduct research of interest and relevance to nuclear forensics, while at the same time evaluating and recruiting promising talent from these programs.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2026

Novel additive manufacturing for plasma facing materials ‐ creating a research pathway for minority students

This project addresses two critical and intertwined challenges in fusion energy, namely the shortage of a broadly trained scientific workforce and the lack of scalable manufacturing solutions for plasma-facing components (PFCs). Through a collaboration among Florida International University (FIU), Miami Dade College (MDC), and Purdue University, the project established structured, reproducible educational and research pathways that recruit and advance students from institutions historically outside the fusion energy enterprise, building the human capital that this field urgently needs. The project integrates the complementary research strengths of FIU and Purdue to investigate flash sintering as a transformative processing route for tungsten-based PFCs. Unlike conventional sintering approaches, flash sintering offers rapid densification at significantly reduced thermal budgets, making it a compelling candidate for fabricating complex tungsten geometries that must withstand extreme plasma-facing environments. Systematic experimental and modeling efforts will elucidate the fundamental mechanisms governing microstructure evolution, grain boundary chemistry, and thermomechanical response during flash sintering — knowledge that is presently lacking but essential for translating this technology into reliable manufacturing practice. The convergence of workforce development and cutting-edge manufacturing research positions this project to deliver measurable, durable impact: a pipeline of fusion-ready researchers cultivated through expanded institutional partnerships, and a validated materials processing framework that accelerates domestic readiness for next-generation fusion reactor construction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

KENO-VI Primer: Performing Calculations using SCALE’s Criticality Safety Analysis Sequence (CSAS6) with Fulcrum

The SCALE code system developed at Oak Ridge National Laboratory is widely used and accepted around the world for criticality safety analysis. The well-known KENO-VI three-dimensional Monte Carlo criticality computer code is one of the primary criticality safety analysis tools in SCALE. The KENO-VI primer is designed to help a new user understand and use the SCALE/KENO-VI Monte Carlo code for nuclear criticality safety analysis. It assumes that the user has a college education in a technical field. There is no assumption of familiarity with Monte Carlo codes in general or with SCALE/KENO-VI in particular. The primer is designed to teach by example, with each example illustrating two or three features of SCALE/KENO-VI that are useful in criticality analysis. The primer is based on SCALE 6.2 and 6.3, which includes the Fulcrum graphical user interface. Each example uses Fulcrum to provide the framework for preparing input data and viewing output results. Starting with a Quickstart section, the primer gives an overview of the basic requirements for SCALE/KENO-VI input and allows the user to quickly run a simple criticality problem with SCALE/KENO-VI. Each following section begins with a list of basic objectives identifying the goal of the section and the individual SCALE/KENO-VI features covered in detail in the section’s sample problems. Upon completion of the primer, a new user should be comfortable using Fulcrum to set up criticality problems in SCALE/KENO-VI. The primer provides a starting point for the criticality safety analyst who uses SCALE/KENO-VI. Complete descriptions are provided in the SCALE/KENO-VI manual. Although the primer is self-contained, it is intended as a companion volume to the SCALE/KENO-VI training and documentation. The SCALE manual and training schedule are available at https://scale.ornl.gov. The primer provides specific examples of using SCALE/KENO-VI for criticality analysis; the SCALE/KENO-VI manual provides information on the use of SCALE/KENO-VI and all its modules. The primer also contains an appendix with sample input files. In addition, this primer, its errata, and sample inputs are also available at https://code.ornl.gov/scale/primers/kenovi/.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

1. Physical Security Engineering by Design for Nuclear Facilities; 2. Nuclear Power Plant Site Security Management – A Security Strategy; 3. The UAE Women in Nuclear Energy Security

1. Security by design, or SeBD, is a comprehensive approach that integrates the physical protection system of a nuclear plant into every stage of its existence. This includes planning, designing, constructing, commissioning, and operating the facility, using a combination of analytical, physical, technological, and procedural measures. Essentially, SeBD involves intentionally applying and incorporating security into all aspects of design and operation throughout the entire lifecycle of a facility. By implementing this methodology throughout various phases such as program development, process implementation, staff training and procedures management in conjunction with plant equipment, facilities can be optimized to minimize security risks without compromising functional design requirements. This ultimately improves the overall security posture of the site and reduces the need for costly modifications or additional security resources post-design. 2. A site security strategy is a living document that is revised on a periodic or event-driven basis, ensuring that site security operations and corresponding procedures provide long-term, effective protection for the entire nuclear power plant (NPP) site. A site security strategy aims to mitigate threats across the entire NPP site via in-depth defense approaches and mutual support; therefore, if a layer is omitted or altered, then the effect across all layers must be re-evaluated. Therefore, the aim of the site security strategy is to provide an appropriate, scalable security regime that deters, denies, delays, and detects incidents and, equally importantly, reassures legitimate users and the regulator that due diligence and regulatory compliance have been achieved, ensuring that the site is safe and secure. Robust access control for vehicles and pedestrians is at the heart of the strategy. Vehicle and pedestrian searching and screening are seen as the strongest mitigation methods against vehicle- and pedestrian-borne attacks. The security strategy must also be supported through comprehensive staff training and the development of robust processes, procedures, and planning. If all these measures are to be effective, then training must be implemented during each phase of construction, partial operation/commissioning, and full operation. No single element of site security is completely isolated from the influence of other elements. Ideally, consideration of all key elements will result in a security strategy that is integrated and proportional to the threat and that does not over specify individual security solutions through the application of isolated measures but rather applies a holistic, all-encompassing approach. 3. When women enter the labor force, numerous positive outcomes emerge, including increased GDP, educational gains, and decreased maternal mortality. Despite these benefits, women's employment rates and equality vary significantly worldwide as does support for women in the workforce. This paper will explore the multifaceted benefits of women's employment, the factors influencing labor force participation rates, and the urgency to achieve gender equality as outlined in the 2015 United Nations Sustainable Development Goals (SDGs). It will then examine the emerging presence of women in the traditionally male-dominated nuclear field, specifically within the United Arab Emirates (UAE) as a testament to their resilience and determination to break social norms and advance gender equality.

Zineddin, Dr. Z.↗
DOE OSTI2025

Artificial intelligence-based predictive modeling for imaging neutral particle analyzers on the DIII-D tokamak

The Imaging Neutral Particle Analyzer (INPA) at DIII-D is a diagnostic system used to accurately resolve the energy and spatial distributions of fast ions in fusion plasmas. A novel artificial intelligence (AI) technique named INPA-net is based on Reservoir Computing Networks and developed here to predict active and passive signals produced by charge-exchange reactions from injected and edge-cold neutrals, respectively, in magnetically confined fusion plasmas. This model is trained using a set of 21 time domain signals between 0 s to 3.35 s that includes injected beam and thermal plasma information, and 6444 real 2D experimental images of the INPA in 12 plasma discharges at DIII-D. The trained neural network is able to forecast experimental images in real-time. The model achieves an R-squared value of 0.91, which is higher than the 0.83 value achieved by a simple linear regression model. This improvement highlights the model's enhanced predictive accuracy for measured images from the validation set. This AI approach is valuable due to its rapid response times and potential for integration into real-time plasma control systems. A version of this model capable of generating syntehic images would be useful for the real-time monitoring of fast-ion transport. A comprehensive sensitivity study reveals that INPA-net maintains high performance even with variations in the input parameters, indicating the model's robustness and reliability. While developed for the INPA, the underlying architecture is adaptable and may be applied to various 2D imaging diagnostics in fusion research.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

KENO V.a Primer: Performing Calculations using SCALE’s Criticality Safety Analysis Sequence (CSAS5) with Fulcrum

The SCALE code system developed at Oak Ridge National Laboratory is widely used and accepted around the world for criticality safety analyses. The well-known KENO V.a three-dimensional Monte Carlo criticality computer code is one of the primary criticality safety analysis tools in SCALE. The KENO V.a primer is designed to help a new user understand and use the SCALE/KENO V.a Monte Carlo code for nuclear criticality safety analyses. It assumes that the user has a college education in a technical field. There is no assumption of familiarity with Monte Carlo codes in general or with SCALE/KENO V.a in particular. The primer is designed to teach by example, with each example illustrating two or three features of SCALE/KENO V.a that are useful in criticality analyses. The primer is based on SCALE 6.2 and 6.3, which includes the Fulcrum graphical user interface (GUI). Each example uses Fulcrum to provide the framework for preparing input data and viewing output results. Starting with a Quickstart section, the primer gives an overview of the basic requirements for SCALE/KENO V.a input and allows the user to quickly run a simple criticality problem with SCALE/KENO V.a. The sections that follow Quickstart include a list of basic objectives at the beginning that identifies the goal of the section and the individual SCALE/KENO V.a features that are covered in detail in the sample problems in that section. Upon completion of the primer, a new user should be comfortable using Fulcrum to set up criticality problems in SCALE/KENO V.a. The primer provides a starting point for the criticality safety analyst who uses SCALE/KENO V.a. Complete descriptions are provided in the SCALE/KENO V.a manual. Although the primer is self-contained, it is intended as a companion volume to the SCALE/KENO V.a training and documentation. The SCALE manual and training schedule are available at https://scale.ornl.gov. The primer provides specific examples of using SCALE/KENO V.a for criticality analyses; the SCALE/KENO V.a manual provides information on the use of SCALE/KENO V.a and all its modules. The primer also contains an appendix with sample input files. In addition, this primer, its errata and sample inputs are also available at https://code.ornl.gov/scale/primers/kenova.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
NASA NTRS2014

ARES Biennial Report 2012 Final

Since the return of the first lunar samples, what is now the Astromaterials Research and Exploration Science (ARES) Directorate has had curatorial responsibility for all NASA-held extraterrestrial materials. Originating during the Apollo Program (1960s), this capability at Johnson Space Center (JSC) included scientists who were responsible for the science planning and training of astronauts for lunar surface activities as well as experts in the analysis and preservation of the precious returned samples. Today, ARES conducts research in basic and applied space and planetary science, and its scientific staff represents a broad diversity of expertise in the physical sciences (physics, chemistry, geology, astronomy), mathematics, and engineering organized into three offices (figure 1): Astromaterials Research (KR), Astromaterials Acquisition and Curation (KT), and Human Exploration Science (KX). Scientists within the Astromaterials Acquisition and Curation Office preserve, protect, document, and distribute samples of the current astromaterials collections. Since the return of the first lunar samples, ARES has been assigned curatorial responsibility for all NASA-held extraterrestrial materials (Apollo lunar samples, Antarctic meteorites - some of which have been confirmed to have originated on the Moon and on Mars - cosmic dust, solar wind samples, comet and interstellar dust particles, and space-exposed hardware). The responsibilities of curation consist not only of the longterm care of the samples, but also the support and planning for future sample collection missions and research and technology to enable new sample types. Curation provides the foundation for research into the samples. The Lunar Sample Facility and other curation clean rooms, the data center, laboratories, and associated instrumentation are unique NASA resources that, together with our staff's fundamental understanding of the entire collection, provide a service to the external research community, which relies on access to the samples. The curation efforts are greatly enhanced by a strong group of planetary scientists who conduct peerreviewed astromaterials research. Astromaterials Research Office scientists conduct peer-reviewed research as Principal or Co-Investigators in planetary science (e. g., cosmochemistry, origins of solar systems, Mars fundamental research, planetary geology and geophysics) and participate as Co-Investigators or Participating Scientists in many of NASA's robotic planetary missions. Since the last report, ARES has achieved several noteworthy milestones, some of which are documented in detail in the sections that follow. Within the Human Exploration Science Office, ARES is a world leader in orbital debris research, modeling and monitoring the debris environment, designing debris shielding, and developing policy to control and mitigate the orbital debris population. ARES has aggressively pursued refinements in knowledge of the debris environment and the hazard it presents to spacecraft. Additionally, the ARES Image Science and Analysis Group has been recognized as world class as a result of the high quality of near-real-time analysis of ascent and on-orbit inspection imagery to identify debris shedding, anomalies, and associated potential damage during Space Shuttle missions. ARES Earth scientists manage and continuously update the database of astronaut photography that is predominantly from Shuttle and ISS missions, but also includes the results of 40 years of human spaceflight. The Crew Earth Observations Web site (http://eol.jsc.nasa.gov/Education/ESS/crew.htm) continues to receive several million hits per month. ARES scientists are also influencing decisions in the development of the next generation of human and robotic spacecraft and missions through laboratory tests on the optical qualities of materials for windows, micrometeoroid/orbital debris shielding technology, and analog activities to assess surface science operations. ARES serves as host to numerous students and visiting scientists as part of the services provided to the research community and conducts a robust education and outreach program. ARES scientists are recognized nationally and internationally by virtue of their success in publishing in peer-reviewed journals and winning competitive research proposals. ARES scientists have won every major award presented by the Meteoritical Society, including the Leonard Medal, the most prestigious award in planetary science and cosmochemistry; the Barringer Medal, recognizing outstanding work in the field of impact cratering; the Nier Prize for outstanding research by a young scientist; and several recipients of the Nininger Meteorite Award. One of our scientists received the Department of Defense (DoD) Joint Meritorious Civilian Service Award (the highest civilian honor given by the DoD). ARES has established numerous partnerships with other NASA Centers, universities, and national laboratories. ARES scientists serve as journal editors, members of advisory panels and review committees, and society officers, and several scientists have been elected as Fellows in their professional societies. This biennial report summarizes a subset of the accomplishments made by each of the ARES offices and highlights participation in ongoing human and robotic missions, development of new missions, and planning for future human and robotic exploration of the solar system beyond low Earth orbit.

Stansbery, Eileen↗
DOE OSTI2024

Neutrons in Structural Biology: Challenges and Opportunities (Workshop Report)

Gaining a thorough understanding of biological systems requires building our knowledge about biological processes from the level of atoms and electrons, and up to whole organisms. Such comprehensive knowledge will allow for a predictive understanding of complex biological systems behavior. It will guide us in the design and development of novel therapeutics and vaccines to tackle existing health threats and to prepare for future pandemics, and it will provide information necessary to create new biomaterials and bio-inspired technologies through manipulation of biological macromolecules, their assemblies, single cells and even microorganisms. Reaching these goals will require a synergistic combination of multiple experimental techniques with molecular calculations and predictive simulations, and the design and development of new techniques and capabilities that bridge current knowledge and technology gaps. Neutron scattering provides unique information about the biomacromolecular structure and function and can play a major role in achieving these goals. A workshop was held to engage the scientific community in identifying pressing challenges in biochemistry, structural biology, enzymology and structure-guided drug design not solved with the current neutron scattering technologies or utilizing other structural biology techniques such as X-ray crystallography, NMR, and cryo-EM. The workshop brought together structural biology, biochemistry and computational experts, as well as early career researchers and students, creating a forum for discussing scientific advancement and collaboration. The workshop included a one-day satellite training workshop where graduate students and postdoctoral researchers were educated in the application of neutron crystallography and small-angle scattering in structural biology. Furthermore, the Instrument Scientific Advisory Board (ISAB) for the development of a macromolecular neutron diffractometer at ORNL’s Second Target Station was introduced at the workshop. The major outcome was that neutrons can provide atomic-level understanding of biomacromolecular structure, function and dynamics which is of paramount importance for addressing the identified challenges. Neutron crystallography, in particular, can resolve long-standing biochemical issues regarding enzyme function by delineating the underlying chemistry and can have a major impact on the design of small-molecule therapeutics, especially in combination with molecular computation (quantum chemistry and molecular dynamics simulations) and the emerging artificial intelligence (AI)-assisted drug design technologies. The unique properties of neutrons, including their high sensitivity to hydrogen and their non-destructive nature, make them ideal probes of biological matter. There is a palpable need in the scientific community to expand and enhance the impact of neutron sciences on biology. Neutron crystallography is the only structural biology method capable of determining positions of all hydrogen atoms in proteins, nucleic acids and their complexes at near-physiological temperatures and of unstable species at cryogenic temperatures. Moreover, neutron analysis is non-ionizing, non-destructive and does not perturb the structure or redox chemistry of active site metal centers and clusters in proteins, which can be invaluable for studying radiation-sensitive metalloprotein complexes. Further, neutron energies used in scattering applications are similar to atomic motions, permitting neutron spectroscopies to characterize the dynamics of biomacromolecules on the picosecond to microsecond timescales. The different sensitivities of neutrons to protium (H) and deuterium (D) isotopes of hydrogen allow enhanced visibility of specific parts of biological complexes through isotopic labeling. The impact of neutrons will be most powerful when neutron scattering is combined with complementary experimental techniques that use photons and electrons, and with high-performance computing. The interconnection and mutuality of the experimental and theoretical capabilities will drive discoveries in biological and health sciences to generate more complete picture of complex biological systems. The major limitation in the field of biological neutron crystallography has been signal-to-noise, demanding large samples that are difficult to produce for the majority of biomacromolecules and limiting the applicability of this technique in biological sciences. A neutron crystallography instrument at the Second Target Station will revolutionize biological science with neutrons by engaging a large scientific community of structural biologists, enabling successful neutron diffraction experiments from radically smaller biomacromolecular crystals, resolving unanswered biochemical questions, and meaningfully contributing to rational drug design. The meeting highlighted 10 grand challenges that will be addressed with this advanced capability over the next decade and beyond, and the recommendations required to help address them are given below.

59 BASIC BIOLOGICAL SCIENCES↗