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At least 235 records · Page 13

Towards resolving protein structures at the atomic scale using atom probe tomography

In the field of Structural Biology, Atom Probe Tomography (APT) is in the nascent stages of development wherein coarse-grained visuals of proteins have been captured. The characterization of organic samples or biomolecules through the technique is currently limited to the detection of a few dominant signatures. The problem of indecipherable characterization can inherently be traced back to multiple forms of technique-specific responses to organic samples and consequent triggers leading to organic-sample and sample-medium interactions. While it is possible for captured manifestations of protein reconstructions to seemingly appear intact from a basic visual purview, the parameter-protein associative responses throughout the structure as a direct consequence of the inherent workings of the technique (until harmonized with organic sample complexity and behavior) and field evaporation-based factors make non-aberrative atomic associations infeasible. The work focused on identifying and theorizing the (above stated and other) fundamental mechanisms that stronghold the study of intricate atomic to higher order associations in proteins through APT. Attempts at structure elucidation of the cryogenic sample under study, through indirect associations (and methods) based on other imaging techniques, further revealed the distinct and highly distortive nature at the atomic scale deterring structural tunability and thus characterization of APT based cryogenic samples under analysis. As a direct counter to the atomic scale characterization problem, by taking the experiment-specific uncertainties, and probable APT-centric organic sample-based variabilities into account, a basic result is extracted and presented. Through mass-spectrometric and computational analysis, specific individual amino acids (Sulfur-containing protein-bound amino acids) in proteins and aspects of protein structure (probable backbone fragments, partial sequence - partial backbone portions) have been identified and characterized. Under analysis considerations, a few of the simplest known and easily inferable segments that favor structural deteriorations in the reconstructions are stated. Additionally, to overcome technique-specific deterrents to the characterization of biomolecules in cryogenic sample medium, the development of a protein-labeling strategy tailored to APT is suggested.

59 BASIC BIOLOGICAL SCIENCES↗

The Effects of the War in Ukraine on National Nuclear Security Administration (NNSA) Missions

While the challenge from a risen and revisionist China may prove greater and more enduring, Russia’s war on Ukraine profoundly changes the strategic context, importance, and requirements of the National Nuclear Security Administration’s (NNSA) missions. The world changed as much in February of 2022 as it did in November of 1989 or December of 1991 , when the Berlin Wall fell and the Soviet Union fell apart. These changes will not likely be ephemeral. Russia is preparing for a long war and a prolonged period of isolation from and hostility toward the West. Although Russia has many political, economic, and military weaknesses, it retains the world’s largest arsenal of nuclear weapons. Russia is therefore central to deterrence, arms control, nonproliferation, and nuclear security issues. Furthermore, Moscow’s permanent membership of the United Nations Security Council affords it a veto potentially affecting all these issues.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Advanced Simulation and Computing: ASC FY24 Implementation Plan

The DOE National Nuclear Security Administration (NNSA) Stockpile Stewardship Program (SSP) is an integrated technical program for maintaining the safety, security, and reliability of the U.S. nuclear stockpile. The SSP incorporates nuclear test data, computational modeling and simulation, and experimental facilities to advance understanding of nuclear weapons. The suite of data analyzed comes from activities including previous nuclear tests, stockpile surveillance, experimental research, and development and engineering programs. This integrated national program requires the continued use of experimental facilities and the computational capabilities to support the SSP missions. These component parts, in addition to an appropriately scaled production capability, enable NNSA to support stockpile requirements. The ultimate goal of the SSP, and thus of the Advanced Simulation and Computing (ASC) program, is to ensure that the U.S. maintains a safe, secure, and effective strategic deterrent. The ASC program is a cornerstone of the SSP, providing simulation capabilities and computational resources to support the annual stockpile assessment and certification process, study advanced nuclear weapons design and manufacturing processes, analyze accident scenarios and weapons aging, and provide the tools to enable stockpile Life Extension Programs (LEPs) and the resolution of Significant Finding Investigations (SFIs). This work requires a balance of resources, including technical staff, hardware, simulation software, and computer science solutions. The ASC program focuses on increasing the predictive capabilities in a three-dimensional (3D) simulation environment while maintaining support to the SSP. The Program continues to improve its unique tools for understanding and solving progressively more difficult stockpile problems (sufficient resolution, dimensionality, and scientific details), and quantifying critical margins and uncertainties. Resolving each issue requires increasingly difficult analyses because the aging process has progressively moved the stockpile further from the original test base. While the focus remains on the U.S. nuclear weapons program, where possible, the Program also enables the use of high-performance computing (HPC) and simulation tools to address broader national security needs, such as foreign nuclear weapon assessments and nuclear counterterrorism. The 2022 Nuclear Posture Review (NPR) calls for NNSA to “deliver a modern, adaptive nuclear security enterprise based on an integrated strategy for risk management, production-based resilience, science and technology innovation, and workforce initiatives.” Furthermore, “NNSA will establish a Science and Technology Innovation Initiative to accelerate the integration of science and technology (S&T) throughout its activities.” Executing this strategy necessitates the continued emphasis on developing and sustaining high-quality scientific and engineering staff, as well as supporting computational and experimental capabilities. These components constitute the foundation of the nuclear weapons program. The continued success of the SSP and LEPs is predicated upon the ability to credibly certify the stockpile, without a return to underground nuclear tests (UGTs). Shortly after the nuclear test moratorium entered into force in 1992, the Accelerated Strategic Computing Initiative (ASCI) was established to provide an extensive simulation capability to underpin stockpile certification. While computing and simulation have always been essential to the success of the nuclear weapons program, the program goal of ASCI was to execute NNSA’s vision of using these tools in support of the stockpile stewardship mission. The ASCI program was essential to the successful demonstration of the SSP, providing critical nuclear weapons simulation and modeling capabilities. ASCI officially evolved into the ASC program in fiscal year (FY) 2005, but the mission remains essentially the same: provide the simulation and computational capabilities that underpin the ability to maintain a safe, secure, effective nuclear weapon stockpile, without returning to underground nuclear testing. The capabilities that the ASC program provides at the national laboratories play a vital role in the nuclear security enterprise and are necessary for fulfilling the stockpile stewardship and life extension requirements outlined for NNSA. The Program develops modern simulation tools that provide insights into stockpile aging issues, provide the computational and simulation tools that enable designers and analysts to certify the current stockpile and life-extended nuclear weapons, and inform the decision-making process when any modifications in nuclear warheads or the associated manufacturing processes are deemed necessary. Furthermore, ASC is enhancing the predictive simulation capabilities that are essential to evaluate weapons effects, design experiments, and ensure test readiness. The ASC program continues to improve its unique tools to solve stockpile problems— with a focus on sufficient resolution, dimensionality, and scientific detail—to enable Quantification of Margins and Uncertainties (QMU) and to resolve the increasingly difficult analyses needed for stockpile stewardship. The needs of the Stockpile Management and Production Modernization programs (formerly Directed Stockpile Work) also drive the requirements for simulation and computational resources. These requirements include planned LEPs, stockpile support activities, and mitigation efforts against the potential for technical surprise. All of the weapons within the current stockpile are in some stage of the life extension process. The simulation and computational capabilities are crucial for successful execution of these life extensions and for ensuring NNSA can certify these life-extended weapons without conducting a UGT.

97 MATHEMATICS AND COMPUTING↗

LANL Test Engineering’s Structural Dynamics Research and Development Efforts [Slides]

LANL's priority roles are serving as a nuclear weapons design agency and a nuclear weapons production agency; addressing nuclear threats; and performing national security science, technology, and engineering. LANL’s Test Engineering organization serves the national mission of maintaining a strategic nuclear deterrent by providing high-quality, empirical evidence through the execution and assessment of weapons system and component testing. Shock and vibration environmental testing provides one key piece of evidence for evaluation and qualification of these systems and components in the service environments incurred during a lifetime in the stockpile. LANL’s Test Engineering group continuously pursues research and development in structural dynamics to improve shock and vibration testing capabilities, processes, and analysis techniques to increase the fidelity of service environment recreations in laboratory testing settings. This talk will highlight several ongoing projects to represent these R&D efforts.

42 ENGINEERING↗

LANL & SPO Overview for SCGSR [Slides]

In 1943, Los Alamos National Laboratory was founded with a single, urgent purpose: to build an atomic bomb. Today, LANL focuses on maintaining a strategic nuclear deterrent to protect the nation’s security.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Los Alamos National Laboratory Triad ST&E Committee Meeting Update: Entrepreneurial programs [Slides]

Why do our staff need an entrepreneurial mindset? “…dramatic change will be required to meet the needs of the deterrent today and into the future. This will require a shift away from highly conservative technical decision making to a risk informed approach, the adoption of modern manufacturing technologies and approaches and embrace of digital tools..."

99 GENERAL AND MISCELLANEOUS↗

Pit Technologies at a Glance

The National Nuclear Security Administration has tasked Los Alamos National Laboratory (LANL) with important national security work: to develop a plutonium pit manufacturing capability and deliver a minimum of 30 plutonium pits per year in the years ahead. A pit is a hollow sphere of plutonium that, when uniformly compressed by explosives inside a warhead or bomb, causes a nuclear explosion. New pits are needed to maintain the nation’s nuclear stockpile and are a key component of nuclear deterrence and world peace. LANL’s Pit Technologies (PT) division manufactures these pits safely and securely. The work takes place in the Plutonium Facility (PF-4), the nation’s most modern plutonium science and manufacturing facility. LANL is currently the only place in the country with the capability to manufacture plutonium pits.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Women as a force multiplier for bringing nuclear forensic capabilities to the international stage

In 2009, the U.S. Department of Energy / National Nuclear Security Administration’s (DOE/NNSA) Defense Nuclear Nonproliferation (DNN) Program initiated a new nuclear forensics outreach effort under its Confidence Building Measures Program. Little did they know that the timing could not have been better. This article focuses on the early years (2009-2015) of the NNSA’s international nuclear forensics outreach, specifically the efforts and experiences of the women who helped establish this program, building it from a fledgling bilateral effort into an enduring technical capacity provider engaging with dozens of countries and multilateral organizations. At the onset of the program, nuclear forensics was an emerging priority within the U.S. Government and receiving increased focus from international organizations through high-level diplomatic efforts such as the Nuclear Security Summit and Global Initiative to Combat Nuclear Terrorism. Additionally, working-level initiatives were gaining traction through the International Atomic Energy Agency and the Nuclear Forensics International Technical Working Group. Over the next six years, a small team comprised of a uniquely large number of women NNSA federal, contract, and national laboratory staff served as key leaders engaging with the international community to strengthen global technical nuclear forensics capacity and best practices. The program continues today under the Nuclear Smuggling Detection and Deterrence Program as Investigation Support. The experiences shared here detail a unique time period when the new technical discipline of nuclear forensics was beginning to mature and gain international traction. The authors have made every effort to remember history correctly and be as inclusive as possible. A wealth of training, guidance, and exercises documentation was developed in the 2009-2015 timeframe, much of which still serves as the foundation for today’s even more extensive program and community of dedicated technical and diplomatic practitioners.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

OSCAR-Mike: Why not ATAK?

The Office of Nuclear Smuggling Detection and Deterrence (NSDD) is evaluating methods to increase the probability that international partners will detect radioactive materials. One proposed method to accomplish this goal is to improve communications within teams operating in challenging environments. The goal of these improvements would be to enable remote monitoring of detection equipment, share data among end users in the field and subject matter experts, and integrate data from radiation detectors with other types of sensors and camera systems. Accomplishing this goal has the potential to improve the capabilities of currently deployed NSDD equipment. During FY 2021, Oak Ridge National Laboratory demonstrated some core and expanded capabilities of the Android Team Awareness Kit (ATAK), a situational awareness application developed by the US Department of Defense, to enable precision targeting, navigation, and data sharing. During FY 2022, Oak Ridge National Laboratory developed software requirements for an NSDD team awareness kit–based system. The requirements were developed by liaising with NSDD management and subject matter experts to determine NSDD’s needs and by reviewing available software and hardware solutions with US Department of Defense team awareness kit program managers and developers and radiation detection equipment vendors.

97 MATHEMATICS AND COMPUTING↗

Advanced Simulation and Computing: FY25 Implementation Plan

The DOE National Nuclear Security Administration (NNSA) Stockpile Stewardship Program (SSP) is an integrated technical program for maintaining the safety, security, and reliability of the U.S. nuclear stockpile. The SSP incorporates nuclear test data, computational modeling and simulation, and experimental facilities to advance understanding of nuclear weapons. The suite of data analyzed comes from activities including previous nuclear tests, stockpile surveillance, experimental research, and development and engineering programs. This integrated national program requires the continued use of experimental facilities and the computational capabilities to support the SSP missions. These component parts, in addition to an appropriately scaled production capability, enable NNSA to support stockpile requirements. The ultimate goal of the SSP, and thus of the Advanced Simulation and Computing (ASC) program, is to ensure that the U.S. maintains a safe, secure, and effective strategic deterrent.

97 MATHEMATICS AND COMPUTING↗

Real-Time Testbed for Transmission Line Protection

Hardware in the loop (HIL) testing is crucial for designing and managing electric power grids. These grids are becoming larger and more complex. The importance for students to have safe and intuitive ways to interact with the devices associated with the power grids has never been more crucial. Since most of these tests involve high voltages, this can be a deterrent for instructors and students in undergraduate programs. HIL testing is a solution to these common issues. This method has become one of the most popular methods for testing these power systems. With the use of Western Michigan University’s (WMU) Real-Time Digital Simulator (RTDS) and SEL-421-7 protection relay, a HIL testbed has been created. These devices were interconnected using the communication protocol known as Generic Object-Oriented Substation Event (GOOSE). A simulated transmission line system was modeled in an RTDS software RSCAD as the basis for this testbed. This model simulated different types of faults that could occur in a transmission line while in operation. The SEL-421-7 relay is connected to the RSCAD simulation via GOOSE to protect our simulated transmission line. This testbed was set up to give students a clear understanding of how distance protection works as well as how the SEL-421-7 will react to various kinds of faults, in addition to how useful the RTDS can be when testing different power systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

ULTIMATE Phase I project: Development of Niobium-based alloys for Turbine Applications

Current Ni-based alloys used in turbine blade applications are operating at 1100°C which is approximately 90% of the solidus of Ni-based alloys. Further increases in temperature can be achieved only through the use of alloys with higher solidus temperatures such as refractory alloys which include Mo, Nb, W, Ta alloys. Niobium has a unique combination of physical properties that include a high melting point (2468°C), lowest density (8.57 g/cc), and the lowest modulus amongst refractory alloys, a good thermal conductivity that increases from 45 W/mK at room temperature to 62 W/mK at 1093°C, good ductility with fabricability using traditional techniques, high strength, good creep resistance, and general chemical inactivity. Hence niobium alloys offer many advantages for use at the desired temperature of 1300°C. One of the major deterrents to the use of niobium and its alloys at high temperatures is achieving good oxidation resistance. In addition, achieving balanced properties of room temperature strength, ductility, fracture toughness, high temperature strength, and creep resistance required for 1300°C operation at a density of 9 g/cm 3 is extremely challenging since the addition of W which is a potent strengthener increases the density of the alloy. This project seeks to enable the development of a tri-layered turbine blade that can operate continuously at 1300°C with the core of the turbine blade providing good creep resistance, the second layer providing improved oxidation resistance over the core layer, and the third layer being an environmental barrier providing oxidation resistance. The objective of this Phase 1 project was to use computational modeling and advanced characterization tools to develop two classes of Nb alloys which could be used as the core layer and the transition layer. The first class of alloys developed in this project was a Nb-alloy designed to serve as the turbine blade core with excellent room temperature strength, ductility, and high temperature strength and creep resistance required for 1300°C operation. These alloys were designed to contain sufficient solute solution strengthening elements (W, Mo) but constrained by the density of alloy, along with the addition of elements such as Zr, Hf, Ta, C, and N to achieve a combination of primary and secondary carbide precipitation. A total of 38 “creep-resistant” alloys were designed and cast during the duration of the project. Processing techniques were developed to keep the oxygen contents as low as possible with typical oxygen contents less than 250 ppm. One alloy with a density of < 9.5 g/cc was successful in meeting the Phase 2 intermediate project mechanical property milestone requirements of room temperature ductility greater than 1.0%, 1200°C creep strain of less than 3% at 150 MPa and 100 hours in vacuum, and with solidus temperature greater than 1500ᵒC. The second class of alloys was designed to be a Nb-rich alloy with improved oxidation resistance when compared to the core layer and was designed specifically to be compatible with the core layer and the outer environmental barrier coating. This Nb- alloy will be specifically designed to be microstructurally stable at these temperatures when in contact with the core alloy and provide protection against catastrophic failure of the barrier coating. Two alloys were cast and processed but further development was discontinued to focus on the development of the creep resistant alloy.

36 MATERIALS SCIENCE↗

Development of Niobium-based alloys for Turbine Applications: 20/CJ000/08/09 (ULTIMATE Phase I project)

Current Ni-based alloys used in turbine blade applications are operating at 1100°C which is approximately 90% of the solidus of Ni-based alloys. Further increases in temperature can be achieved only through the use of alloys with higher solidus temperatures such as refractory alloys which include Mo, Nb, W, Ta alloys. Niobium has a unique combination of physical properties that include a high melting point (2468°C), lowest density (8.57 g/cc), and the lowest modulus amongst refractory alloys, a good thermal conductivity that increases from 45 W/mK at room temperature to 62 W/mK at 1093°C, good ductility with fabricability using traditional techniques, high strength, good creep resistance, and general chemical inactivity. Hence niobium alloys offer many advantages for use at the desired temperature of 1300°C. One of the major deterrents to the use of niobium and its alloys at high temperatures is achieving good oxidation resistance. In addition, achieving balanced properties of room temperature strength, ductility, fracture toughness, high temperature strength, and creep resistance required for 1300°C operation at a density of 9 g/cm 3 is extremely challenging since the addition of W which is a potent strengthener increases the density of the alloy. This project seeks to enable the development of a tri-layered turbine blade that can operate continuously at 1300°C with the core of the turbine blade providing good creep resistance, the second layer providing improved oxidation resistance over the core layer, and the third layer being an environmental barrier providing oxidation resistance. The objective of this Phase 1 project was to use computational modeling and advanced characterization tools to develop two classes of Nb alloys which could be used as the core layer and the transition layer.

36 MATERIALS SCIENCE↗

Z Machine Highbay Display for Z Tours

This slide is intended to serve as an informational display located on the machine high bay for visitors on Z tours. This display reflects some of our updated research capabilities that Z performs to support our nuclear deterrence mission.

Stacy, Laura Kristine↗

Realizing the Materials-Designed-To-Environments Promise of Additive Manufacturing Through a Fundamentally Different Approach to Optimization of Nonlinear Solid Mechanics Structures

Additive Manufacturing (AM) is expected to play a large role in the labs-wide goals of accelerating innovation and leading in modern engineering. More specifically, AM is seen as a key enabling technology for increasing the agility of nuclear deterrence and other national security applications involving complex coupled environments. However, the impact of AM on these initiatives has not been as wide-ranging as hoped because – despite its unique qualities – the focus has mostly been on detailed qualification to force AM components into pre-existing performance envelopes. This paradigm fundamentally precludes the novel possibilities afforded by the geometric and material flexibility of AM. In particular, the engineering of small-scale features to undergo buckling and contact can cause large geometric and symmetry changes which provide responsiveness to different environments. Despite almost a decade of observing such behavior, there exists no way to systematically design for AM to exploit it. Our goal for this project was to connect material design to multi-environment component performance by reconceptualizing how to design for AM to exploit the buckling and contact of small-scale features.

36 MATERIALS SCIENCE↗

Low Temperature Tantalum Electrodeposition: Enabling Next Generation Coatings

This project aimed to identify the ligand and solvation conditions necessary for the electrodeposition of refractory metals from low-temperature organic electrolytes. Tantalum (Ta) was chosen as a specific exemplar for programmatic purposes. It was hoped that a deeper understanding of these relationships could facilitate the innovative application of refractory metal coatings on thermally sensitive and geometrically intricate components used in extreme environments related to energy generation and storage, nuclear deterrence, aerospace, defense, and beyond.

36 MATERIALS SCIENCE↗

Test and Evaluation of Radiofrequency Tamper Indicating Devices for Remote Monitoring of Advanced/Small Modular Reactors

Advanced and small modular reactors (A/SMRs), due to their versatile nature, are likely to be used in remote locations to provide electrical power or other services in regions that are difficult to access or have limited transportation infrastructure. This will result in limited on-site staff, therefore driving A/SMR vendors to consider remote monitoring as a solution to support nuclear security. Maintaining Continuity of Knowledge (CoK) of nuclear material quantities and locations is vital to nuclear security, and remote monitoring of active tamper indicating devices (TIDs) has been well established as a component of International Atomic Energy Agency (IAEA) Safeguards since the early 2000s. Active TIDs, such as radiofrequency TIDs (RFTIDs), immediately alarm upon unauthorized access attempts, promoting timely detection. In contrast, passive TIDs require a surveillance regime and offer delayed detection. Active TIDs deter insiders and enable prompt detection of malicious acts. They can be used on nuclear material containers and controlled entry points like vaults and toolboxes. Therefore, the implementation of RFTIDs into security programs bolsters overall nuclear material control, and provides a visible deterrent, with primary efficacy in mitigating the insider threat and potentially allowing for Security by Design considerations. They are a strong candidate technology for maintaining nuclear security of A/SMRs but need to be evaluated for feasibility and implementation into the wider physical protection system.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗