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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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A Data & Reasoning Fabric to Enable Advanced Air Mobility

A Data & Reasoning Fabric (DRF) is envisioned to enable the full potential of advanced air mobility by providing all data and reasoning where they are needed. The DRF marketplace is based on an open foundational ecosystem of data and reasoning exchange between the many systems that must seamlessly interplay to manage the envisioned highly complex and dense airspace operations. DRF activities will identify, test and - as needed - research and develop critical core technologies, and collaboratively test these technologies, open standards and architectures, and the integrated framework with end-users so as to deliver reference designs and development environments that catalyze broad private and public sector buy-in and self-sustaining development of it and associated standards.

Urban Air Mobility↗

Mission Concept for a Europa Lander

A NASA HQ-directed study team led by the Jet Propulsion Laboratory (JPL) with partners including Applied Physics Lab, Marshall Space Flight Center, Goddard Space Flight Center, Langley Research Center and Sandia National Laboratory has recently presented a mission concept for a Europa Lander that would search for bio-signatures and signs of life in the near-subsurface of the Jovian moon. The mission would follow the Europa Clipper multiple-flyby mission, planned for launch in June of 2022, which would provide reconnaissance imagery and other data to the Lander for use in selecting a scientifically compelling site and certifying it for engineering safety. The Europa Lander concept accommodates the Model Payload identified by the Europa Lander Science Definition Team (SDT) and documented in the Europa Lander Study 2016 Report released in February of 2017. The currently envisioned Europa Lander would launch on an SLS Block 1B as early as October of 2025 into a VEGA trajectory, arriving in the Jovian system as early as July of 2030. The baseline design of the integrated flight system includes a dedicated Carrier and Relay Stage, a Deorbit Vehicle composed of a Deorbit Stage consisting of a solid rocket motor (SRM), an MSL-like sky-crane Descent Stage, and a Lander which accommodates the instrument suite. The Lander would be powered by primary batteries over a 20-day surface mission. The science goals envisioned by the SDT require five samples taken from a depth of 10cm, a depth chosen to ensure minimal radiation processing of the potential biomarkers. Mission challenges include the large launch mass, unknown terrain topography, surface composition and materials properties, the high radiation environment, and complying with stringent planetary protection requirements. The mission concept uses a strategy of early risk reduction and overlapping requirements to provide robustness to harsh and uncertain environments. Early risk reduction efforts are aimed at maturing technologies associated with the sampling system, the intelligent landing system, high specific energy batteries, low mass and power motor controllers, and a thermal sterilization system.

Dooley, Jennifer↗

Mars Planetary Network for Human Exploration Era – Potential Challenges and Solutions

During 2016-2017, a study was conducted under the sponsorship of the NASA’s Space Communications and Navigation (SCaN) Program to investigate the deep space communications capacity taking into account the needs of all the present and envisioned future missions toward 2030s. It was soon recognized that planning for human exploration to Mars would impose certain unprecedent challenges, both fiscal and technical, to the current space communications paradigm. Targeting the assumed missions concepts, i.e., Crewed Mission to Phobos (CMTP) and Mars Short Stay Mission (MSSM), a Mars Planetary Network for the human exploration era has been formulated. The activity modeling and network traffic simulation/modeling we performed gave some insight into the technical challenges in space communications for the envisioned human Mars exploration era. Chief among the potential challenges are: (1) the high demand on the deep space network (DSN) assets for achieving the high-rate links, both return and forward, from Mars farthest/farther distance (up to 2.67 AU); (2) the need for resilient, persistent communication coverage for crewed vehicles, on surface and in orbits; (3) the significant period of outage for the Mars-Earth link due to superior solar conjunction; (4) the need for on-demand, simultaneous access to the proximity link by multiple vehicles and astronauts in the exploration zone; (5) the capability of determining precise, real-time, positions of surface vehicles and astronauts by the deep space habitat and/or other tele-operations entities. Solution space to each of the above challenges has been explored and analyzed in the context of the individual problem domain and, more importantly, in conjunction with that for the other challenges. This has led to an end-to-end definition of a Mars Planetary Network that would feature: (1) the fusion of deep space Ka-band and optical communications for achieving Mars-Earth high-rate links taking advantage of the optical/RF hybrid 8m/34m antennas in DSN; (2) the integrated application of the Multiple Spacecraft Per Antenna (MSPA) technique, for return link data acquisition, and the Multiple Uplink Per Antenna (MUPA) technique, for forward link data trasnmission, to reduce the number of 34m beam-wave guide (BWG) antennas needed for the era; (3) the integration of three, arrayed, 34m beam-wave guide (BWG) antennas, to provide a high G/T aperture, with the MSPA/MUPA techniques, and a dual “trunk link”approach to cut down the needed G/T -- hence, reducing the number of 34m antennas, relative to that in the single trunk approach by 50%; (4) the deployment of two areostationary/areosynchronous Mars relay orbiters; one of them could also function as (or be served by) a notional Deep Space Habitat (DSH); (5) the opportunistic deployment of a science orbiter in a Pioneer-6 type orbit, equidistant Mars/Earth, that could also serve as an intermediary relay during the Mars superior solar conjunction perod; (6) the existence of the multi-function Mars proximity link that provides the demand-assigned, multiple access (DAMA) capability; and (7) the provision of tracking observables, by leveraging on the planned Mars orbiting and surface infrastructure, to enable the in-situ navigation for surface and orbiting vehicles. This paper provides the description of the proposed Mars Planetary Network in the human exploration era, the trade-off analysis for the various alternative architectures, and the optimal solutions to the key challenges in defining this end-to-end network.

Cheung, Kar-Ming↗

Hybrid Electric Aircraft Thermal Management: Now, New Visions and Future Concepts and Formulation

The global fuel consumption by commercial airlines has increased each year since 2009 and is predicted to reach an all-time high of 97 billion gallons in 2019. There is also an environmental impact from this: CO2 emissions from commercial passenger and freight operations totaled 918 Mt in 2018 (ICCT, 2019), or around 2.5% of global energy-related CO2 emissions. Passenger transport accounted for 81% of the total. Emissions from aviation have grown 32% over the past five years. Coupled with this aspect, there is a continuous and growing need to satisfy ever-growing electrical power needs on commercial and military aircraft. All the armed services (Army, Navy, and Air Force) are continuously trying to enhance UAV (unmanned aerial vehicle) endurance and range across a broad fleet of different aircraft. The commercial Boeing 787 requires about 1.2MWe and that is expected to grow. Current technologies used to supply increased on-board electrical power are generally: 1) “burn more fuel and convert through on-board generators” and 2) use additional heavy (i.e., weight-inefficient) and sometimes unsafe battery systems on-board the aircraft. The aircraft industry is seeking new, innovative ways to satisfy this increasing power demand. One as-yet-untapped power source is the enormous amount of “waste” thermal energy flowing out the jet engine exhaust; some estimates in smaller “by-pass” flow jet engines is several hundreds of kilowatts (e.g., Pratt & Whitney Canada PW545B turbofan). This quantity is much higher in large jet engines associated with commercial aircraft. This large waste thermal energy manifests itself in large temperature differences within the by-pass-flow engine exhaust system relative to outside ambient conditions, because of the actual by-pass engine design configuration. There is strong need to develop thermal technologies and systems that could harness and convert at least a portion of this thermal energy into useful electrical energy to satisfy growing on-board electrical needs. In addition, there is a strong desire within the aircraft and engine manufacturing community to reduce the “carbon footprint” of the industry though reduced fuel usage worldwide. NASA has a robust aircraft electrification program to meet these desires and support industry in its aircraft electrification objectives. This program is integrating thermoacoustic systems, advanced lightweight heat exchanger technology, and advanced heat pipe technology to capture and transport large amounts of engine waste thermal energy for on-board power conversion, advanced heat-pump cooling, and exergy enhancement (i.e., temperature lift). Advanced lightweight heat exchangers are envisioned to capture engine exhaust thermal energy at approximately 673 K and deliver it to efficient thermoacoustic power conversion systems operating at temperature ratios (Thot/Tcold) > 1.6. Advanced heat pipe systems are envisioned to transport thermal energy from low temperature sources, through thermoacoustic heat pumps, to high temperature needs such as wing anti-icing, fuel pre-heating, and combustion air pre-heating. The paper will discuss the current state-of-the-art, objectives, system design architecture, and remaining technical challenges in system formulation within the NASA aircraft electrification program.

Dyson, Rodger↗

Future Orbiting and In-Situ Exploration of Venus: Mount Etna as Terrestrial Analog

The exploration of Venus will soon experience a new golden era thanks to the recently selected NASA Deep Atmosphere of Venus Investigation of Noble gases, Chemistry and Imaging (DAVINCI) mission, NASA Venus Emissivity, Radio Science, InSAR, Topography & Spectroscopy (VERITAS) mission, and ESA EnVision mission. The DAVINCI mission will focus on the analysis of the the atmospheric vertical structure and composition of Earth’s twin planet and on the geologic structure of a tesserae terrain. The VERITAS mission will investigate the geologic features of its surface as well as geodynamic characteristics of the subsurface, providing high-resolution emissivity data, a global radar map at an approximate resolution of 30 meters/pixel, and estimation of the gravity anomaly of the shallow crust of the planet. The ESA EnVision mission will be complementary to the two NASA missions, providing high resolution 0.8-2.5 micron emissivity data, Synthetic Aperture Radar (SAR) data, and Subsurface Radar Sounder (SRS) data. Beyond those, the proposed Roscosmos-NASA Venera-D mission will also be equipped with an orbiter that will investigate the atmospheric composition and circulation, as well as a lander that will analize the in-situ chemical composition and the surface-atmosphere interactions.

P. D’Incecco↗

National Campaign (NC)-1 Strategic Conflict Management Simulation (X4) Community Based Rules

Projected demand for transportation services in the urban environment has led to the development of several Concepts of Operation for Urban Air Mobility, or UAM. UAM is a concept for the transportation of people and goods in the metropolitan environment using small, efficient aircraft over short distances as part of an expanding multimodal transportation network. UAM will leverage emerging technologies including electric Vertical Takeoff and Landing (eVTOL) aircraft, increasing levels of automation and a new operational paradigm in dense airspace where a set of agreed-upon rules govern the procedures and interactions defining a cooperative environment in which operators are entrusted with a range of functions typically conducted by Air Traffic Control (ATC). These rules, proposed in the FAA NextGen Office’s UAM Concept of Operations [1], were originally termed Community Based Rules or Community Business Rules (CBRs), and will in the future termed Cooperative Operating Practices (COPs); this document uses the original term, CBR. CBRs are a set of rules, developed by the UAM community and (where necessary) approved by the FAA that govern the interactions between UAM entities and limit the need for ATC services including, but not limited to, separation control by ATC, addressing a fundamental challenge to scaling UAM operations. UAM community development of CBRs is anticipated to accelerate the adoption of new practices while retaining the regulatory authority of the FAA within required domains (e.g., NAS safety, security and equal access). However, there currently exists no agreed industry forum or defined procedures for CBR development. Investigation of best practices for the development of UAM CBRs was identified by NASA and the FAA NextGen Office as a research need. In collaboration with seven industry partners, NASA participated in a series of simulations that investigated elements of the envisioned UAM operations, with a primary focus on Strategic Conflict Management (SCM). The development and conduct of cooperative UAM simulations with seven industry partners provided a unique opportunity to investigate CBR development practices. Development of CBRs for the UAM SCM simulations was conducted in parallel with simulation capability development and was closely related to requirements definition for the simulations. As such, the CBR development effort presented herein had two objectives: explore CBR development practices in collaboration with the industry partners and develop an initial set of UAM CBRs to support simulation requirements definition and development. Consensus was achieved among NASA and the industry partners on 24 CBRs that were developed to support the cooperative simulation operations across five topic areas: General (related to test requirements), Operational Intent, Conformance Monitoring, Demand Capacity Balancing, and Airspace Constraint Management. Additional topic areas and CBRs were discussed but were deemed outside the scope of the simulation; these are included in the appendices. A collaborative, iterative process was employed for developing the CBRs engaging both NASA and Industry; because CBR development is envisioned to be community-driven, opportunities were sought that provided industry partners leadership roles in developing CBRs. The following key observations and recommendations may aid the UAM industry in future CBR development efforts: - The lack of a defined process proved challenging initially. Stakeholder engagement in the early stages of CBR development was intermittent and may have been due to the lack of a clear definition of roles and responsibilities of those involved in the effort. - Industry leadership of CBR topic areas proved successful. Discussions in these topic areas were engaging, with alternate viewpoints freely discussed and detailed CBRs resulting. This points to the importance of identifying the best-suited leadership in technical areas for CBR development. - Discussions within a CBR topic area were typically dominated by only a few participants. Whereas all industry partners contributed to CBR development, within each topic area, technical leadership was evident even when not formally established. This observation may indicate that smaller, focused groups may be more effective in initial CBR development than an open forum or large standards development effort (although both maybe required prior to FAA review and approval for some CBRs). - Identifying suitable forums for initial UAM CBR development and identifying the most effective industry participants and leadership will be crucial for successful CBR development. Although the operational need for UAM CBRs may not be immediate, establishing the forums and leadership to define the processes for CBR development is a prudent early step to UAM realization.

Community Based Rules↗

Feasibility Study of Distributed Decision-Making on the Edge for Urban Air Mobility

The Concept of Operations for Urban Air Mobility (UAM) put forward by FAA, NASA, and several industry stakeholders acknowledges the diversity and complexity in UAM operations and, thereby, envisions a federated architecture for UAM management. In this architecture, the decision-making is distributed to a set of service providers who collectively manage the shared airspace usage by different stakeholders. This notionally brings autonomy closer to the UAM businesses and encourages to explore the feasibility of decision making on the very edge, which is the topic of the presented research. This paper reports research conducted on the hypothesis based on which the residual compute capability onboard smart unmanned aerial systems (UASs) is utilized to build situational awareness and resolve conflicts by passive and active coordination among multiple UASs, thereby implementing a layer of distributed autonomy in UAM. Key features of the edge-computing approach involve inter-UAS information exchange, independent assessment of own flight and environmental conditions, and estimation of other UASs’ flight preferences, incorporating machine learning techniques in the last two. Parallel computing on portable graphics processing unit (GPU) enables the machine learning workflow on the edge. A custom-built 3D simulator is used to evaluate the efficacy of the distributed decision-making on the edge. Each edge node, representing a smart UAS, connects to the simulator from a remote location and independently controls the behavior of the corresponding virtual asset in the simulator, analogous to participants in an online multi-player game. The presented edge-computing-based distributed decision-making framework is envisioned to pave the way for collective mobility of autonomous air vehicles in the future shared airspace, while allowing the inclusion of the business preferences of the UAS operators within allowed regulatory limits.

Edge computing↗

Feasibility Study of Distributed Decision-Making on the Edge for Urban Air Mobility

The Concept of Operations for Urban Air Mobility (UAM) put forward by FAA, NASA, and several industry stakeholders acknowledges the diversity and complexity in UAM operations and, thereby, envisions a federated architecture for UAM management. In this architecture, the decision-making is distributed to a set of service providers who collectively manage the shared airspace usage by different stakeholders. This notionally brings autonomy closer to the UAM businesses and encourages to explore the feasibility of decision making on the very edge, which is the topic of the presented research. This paper reports research conducted on the hypothesis based on which the residual compute capability onboard smart unmanned aerial systems (UASs) is utilized to build situational awareness and resolve conflicts by passive and active coordination among multiple UASs, thereby implementing a layer of distributed autonomy in UAM. Key features of the edge-computing approach involve inter-UAS information exchange, independent assessment of own flight and environmental conditions, and estimation of other UASs’ flight preferences, incorporating machine learning techniques in the last two. Parallel computing on portable graphics processing unit (GPU) enables the machine learning workflow on the edge. A custom-built 3D simulator is used to evaluate the efficacy of the distributed decision-making on the edge. Each edge node, representing a smart UAS, connects to the simulator from a remote location and independently controls the behavior of the corresponding virtual asset in the simulator, analogous to participants in an online multi-player game. The presented edge-computing-based distributed decision-making framework is envisioned to pave the way for collective mobility of autonomous air vehicles in the future shared airspace, while allowing the inclusion of the business preferences of the UAS operators within allowed regulatory limits.

Edge computing↗

The Adaptable and Resilient Safety System: The Human Factor in Future In-Time Aviation Safety Management Systems

In-time integrated safety management will be paramount for safely enabling the envisioned transformations of the future National Airspace System (NAS). The path for realizing the vision includes addressing the increasing need for advanced data analytics and fusion of aviation safety data, managed by human decision-makers. The paper describes safety management systems and its’ challenges, and how the concept of In-time Aviation Safety Management Systems addresses the need to ensure an adaptable and resilient future safety system in the envisioned transformed NAS. Finally, it discusses potential human factors challenges, including new human roles and responsibilities, new information and cognitive requirements, new intelligent technologies that change human-system interaction and coordination, and new design paradigms for human system integration and teaming.

L. Prinzel↗

The Adaptable and Resilient Safety System: The Human Factor in Future In-Time Aviation Safety Management Systems

In-time integrated safety management will be paramount for safely enabling the envisioned transformations of the future National Airspace System (NAS). The path for realizing the vision includes addressing the increasing need for advanced data analytics and fusion of aviation safety data, managed by human decision-makers. The paper describes safety management systems and its’ challenges, and how the concept of In-time Aviation Safety Management Systems addresses the need to ensure an adaptable and resilient future safety system in the envisioned transformed NAS. Finally, it discusses potential human factors challenges, including new human roles and responsibilities, new information and cognitive requirements, new intelligent technologies that change human-system interaction and coordination, and new design paradigms for human system integration and teaming.

Aviation Safety↗

NASA Earth Systems Digital Twins (ESDT)

"Similarly to artificial intelligence, which is now revolutionizing many aspects of our daily lives, Earth system digital twin technologies have the potential to revolutionize the way Earth Science research will be conducted in the future, and how results and knowledge from this research will provide information to support decision making and yield impactful societal benefits. An Earth System Digital Twin or ESDT is a dynamic and interactive information system that first provides a digital replica of the past and current states of the Earth or Earth system as accurately and timely as possible; second, allows for computing forecasts of future states under nominal assumptions and based on the current replica; and third, offers the capability to investigate many hypothetical scenarios under varying impact assumptions. In other words, an ESDT provides the integrated What-Now, What-Next, and What-If pictures of the Earth or Earth system, by continuously ingesting newly observed data and by leveraging multiple interconnected models, machine learning as well advanced computing and visualization capabilities. Digital twins have been developed in engineering since 2002, but the interest in digital twins for the Earth domain is more recent and stems from the convergence of several developments: - The huge amount of diverse data that has now been collected continuously for more than 50 years, and that is becoming more and more difficult to access, understand, and utilize. - At the same time, because of climate change and its impacts the information produced by all of this data is becoming of interest to many new non-traditional users for analyzing and predicting various phenomena. - Because of advances in computational and visualization capabilities and the parallel unprecedented development of machine learning (ML), extracting relevant information from these large amounts of data and running complex models faster has become possible. As a result, it is becoming necessary and possible to build intuitive and interactive frameworks that will enable users with various skill levels and/or organizational hierarchy levels to easily access large amounts of targeted information along with the relevant tools and models (Earth system and human activity models), to support them in analyzing and visualizing this information, to help them understand interactions among models, to visualize the potential outcomes of various impacts, and to support decision or policy making. The full power of digital twins is that, through an integrated representation and standardized tools and software technologies, the same digital replica can address the needs of multiple users at various resolutions (spatial and temporal) and for various applications (science, economic, policy, etc.) – “from farmer to scientist”. With all these interests at stake, the challenges of building optimal digital twins are many and complex. The first challenge is to determine if a Digital Twin should be global or local, and multi-domain or thematic. For example, some domains such as Climate or Weather will require a global Digital Twin or Digital Twin capabilities while science areas such as Biodiversity might be more local. We can also envision that multiple thematic ESDTs, e.g., Air Quality, Wildfires, Hydrology could be federated or provide input to other ESDTs, either on a regional level or to a more global ESDT. Overall, we can imagine a future “web” of Digital Twins co-existing in a hierarchy or in a network, and capable of being connected or federated depending on the needs. This last point brings up the very important challenge of interoperability, including standards and protocols that will need to be built into these systems from the beginning. Each individual digital twin would have full flexibility in internal construction but would need standards-based interfaces (input and output) or hooks to make it compatible with others. Another challenge when building digital twins will be to decide how to organize each digital replica. Based on the applications targeted by the DT under implementation, various amounts and types of raw data, Analysis Ready Data (ARD) and information will need to be incorporated. Depending on the required latencies and needs of the users, various solutions can be considered, including Data Cubes, Data Lakes, pointers, or computing information on demand. We envision that each ESDT will choose a solution adapted to its specific objectives. Another important challenge is the type(s) of visualization that will be used, as well as the level of interactivity and refresh rate that will be required. Again, this will depend on the objectives of the ESDT, but also on the various users’ needs. In most cases, several types of visualizations and human interfaces will need to be offered depending on the projected users of that system. In parallel to the challenges highlighted above, there are also many tools and technologies that will need to be developed or improved for all types of digital twins. Among those are improved machine learning technologies, for example providing explainability, but also ML techniques for causality and providing a better integration of physics models. Additionally, reliable uncertainty quantification methods will be needed for all ESDT components, from validating data fusion and assimilation to assessing the accuracy of ML models and weighing the values of decisions supported by those systems. This presentation introduces the ESDT concept, presents several ESDT use cases, and a proposed ESDT architecture framework, as well as various technologies being developed by the Advanced Information Systems Technology (AIST) Program."

Earth Science Remote Sensing; Information Systems↗

The NASA Jitter Handbook Development Activity: A Multidisciplinary Collaborative Effort

Spaceflight missions hosting high-performance vibration-sensitive optical sensor payloads with stringent pointing stability requirements are especially challenged in the areas of predicting, managing, controlling, and testing spacecraft line-of-sight (LoS) jitter. The community recognizes that this is a formidable multidisciplinary engineering task. However, while some textbooks and references in the aerospace literature may touch on the subject of jitter, important details of specific flight proven methodologies and techniques used by today’s jitter engineering practitioners are not readily accessible. There is no know engineering reference document with guidelines and best practices for managing and mitigating space-craft jitter. To fill this knowledge gap the NASA Engineering and Safety Center (NESC) has undertaken the task of developing a NASA Jitter Handbook which would include lessons learned and best practices for design, analysis, and test, along with operational guidelines to mitigate jitter. In this paper the plan for this handbook development will be described along with the envisioned handbook framework, key NASA stakeholders, and potential envisioned jitter engineering case studies. Opportunities exist technical collaboration on this handbook with NASA-external organizations.

Christopher D'Souza↗

Business Case Analysis for Digital Safety-Related Instrumentation & Control System Modernizations

This LWRS research seeks to assist in breaking the impasse which has precluded digital safety system upgrades by generating and demonstrating a process and related business case tool to enable a Business Case Analysis (BCA). The purpose of a BCA is to show such upgrades can be economically justified. This BCA methodology first systematically establishes a forecast of expected lifecycle costs for I&C identified for upgrade by: • Definitively bounding the scope of current I&C systems envisioned for upgrade. • Collecting historical labor and material usage data that bound cost contributors related to the systems to be upgraded. • Synthesizing and analyzing the data to establish lifecycle cost forecasts for the current systems. In collaboration with engineers familiar with the attributes of the digital equipment to be used in the upgrade and how it is envisioned to be applied, cost savings categories and expected savings in those categories are then identified and applied using the analysis tools developed for this purpose. The result is an estimate NPV of savings enabled by the upgrade. This includes both direct cost savings (e.g., surveillance labor costs) as well as cost avoidance items (e.g., inventory carrying costs). Finally, when utility-provided digital upgrade costs estimates are included, the resultant BCA provides an NPV for the upgrade project. Development of a useful BCA methodology requires a real-world basis. With the cooperation of Exelon Generation (“Owner”), an Exelon-owned 2-Unit BWR Station (“Station”) was used as the foundation for this research. Exelon is pursuing a digital upgrade of current, first-echelon, safety-related I&C systems at these units, including the following: • Reactor Protection System (RPS) • Nuclear Steam Supply Shutoff System (N4S) • Emergency Core Cooling Systems (ECCS) • Anticipated Transient Without Scram (ATWS) Mitigation System

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Workshop on Addressing Rigor and Reproducibility in Thermal, Heterogeneous Catalysis

Heterogeneous catalysis has long served as the bedrock of the manufacturing of energy carriers, fuels and chemicals, and various technologies for pollution abatement. The significant complexity and variability spanning the entire breadth of catalyst material properties, synthesis methods, characterization techniques, and evaluation procedures, has focused attention on the need to establish community-accepted best practices for ensuring high-quality, benchmarked, and reproducible data. In addition, increased societal urgency to transition to clean energy and reduce greenhouse gas concentrations has incentivized interdisciplinary, convergent, and translational approaches to catalysis research in recent years. Research engineers and scientists with expertise cutting broadly across materials science, chemical synthesis, interfacial science, spectroscopy, and methods of data science and computational simulation, all bring diverse and important perspectives to catalysis research, but often with little awareness of the complexity of catalytic systems, especially in their working environment. As has already occurred in other scientific fields, there has been growing recognition and consensus in the heterogeneous catalysis research community that mechanisms are needed to improve the rigor and reproducibility (R&R) of experimental measurements, to ensure alignment of the broader research community with a common core of best practices specific to the realization of high-quality catalysis research. Similarly, the field is moving rapidly toward computationally informed and data science-driven catalyst design, but the success of implementing such predictive tools hinges on model training and validation rooted in rigorously obtained and reproducible experimental data that are benchmarked to common specifications. As such, this workshop was convened to prepare a report summarizing best practices for reporting data and performing experiments that researchers can use to benchmark, validate, and reproduce data in specific sub-fields of thermal, heterogeneous catalysis. Additionally, we discussed recommendations for future actions that may improve R&R in this field. The workshop organizers and participants include a diverse range of catalysis researchers from various employment sectors (e.g., academia, industry, national laboratory), institutional mission and resources (e.g., PhD-granting research universities, non-PhD-granting teaching universities), career stage (e.g., early, mid and late-career), technical expertise, and demographic background. This diverse group was involved in the discussion of workshop agenda items, writing this report, and discussing possible future action items for the community to consider, which helped ensure that a broad range of perspectives were captured in the description of the problems at hand and the creation of actionable solutions that may be effectively adopted by the diverse practitioners in catalysis research. Importantly, this group of workshop participants also included very early career researchers (e.g., senior PhD students, postdoctoral scholars) who will become the next generation of scientific leaders in various sectors, thus capturing emerging perspectives of newcomers to the field to shape its future while positively impacting the development of its future workforce. We envision that this effort will help advance the field of catalysis science by improving the rigor and reproducibility of experimental data collected by current researchers and future newcomers to the field, which is of broad importance to health and vitality of any scientific discipline. Therefore, best practices identified in this endeavor for thermal heterogeneous catalysis can be translated to such efforts in other areas of catalysis and other scientific fields involving the study of materials, and vice versa. We also envision this to be an ongoing effort, with future workshops that are convened to discuss issues of rigor and reproducibility on technical topics that were unable to be covered in this workshop due to its scope limitations, and as emerging methods and materials become more prevalent in the research community.

36 MATERIALS SCIENCE↗

Investigating the Impacts of Direct Dissolution Conditions on the Radiolytic Longevity of Butyramide Extractants

Removing the nitric acid (HNO3) dissolution step in used nuclear fuel (UNF) reprocessing would reduce the volume of radioactive waste streams generated, thereby, improving process efficiency. A promising strategy for this is the direct dissolution of UNF that has been pretreated by voloxidation into an organic solvent composed of specialized extractants and diluent. However, removal of the aqueous HNO3 phase from the envisioned reprocessing system has the potential to drastically change the suite of radiation-induced processes occurring, and thus, alter the longevity of proposed reagents. Furthermore, the impacts of fission product and transuranic metal ion complexation on the aforementioned radiation-induced processes is poorly understood, and yet can cause significant changes in radiolytic longevity. To bridge these knowledge gaps and support the continued development of direct dissolution strategies, we present an investigation into the impacts of direct dissolution conditions on the gamma radiation-induced degradation of N,N-di-(2-ethylhexyl) butyramide (DEHBA) and N,N-di-(2-ethylhexyl)isobutyramide (DEHiBA) ligands—candidate replacements for tributyl phosphate—in pre-equilibrated n-dodecane solvent in the presence and absence of envisioned loading amounts of uranium.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Investigating the impacts of used nuclear fuel direct dissolution on the radiolytic longevity of solvent and butyramide extractants

Removing the nitric acid (HNO3) dissolution step in used nuclear fuel (UNF) reprocessing would reduce the volume of radioactive waste streams generated, thereby, improving process efficiency. A promising strategy for this is the direct dissolution of UNF that has been pretreated by voloxidation into an organic solvent composed of specialized extractants and diluent. However, removal of the aqueous HNO3 phase from the envisioned reprocessing system has the potential to drastically change the suite of radiation-induced processes occurring, and thus, alter the longevity of proposed reagents. Furthermore, the impacts of fission product and transuranic metal ion complexation on the aforementioned radiation-induced processes is poorly understood, and yet can cause significant changes in radiolytic longevity. To bridge these knowledge gaps and support the continued development of direct dissolution strategies, we present an investigation into the impacts of direct dissolution conditions on the gamma radiation-induced degradation of N,N-di-(2-ethylhexyl) butyramide (DEHBA) and N,N-di-(2-ethylhexyl)isobutyramide (DEHiBA) ligands—candidate replacements for tributyl phosphate—in pre-equilibrated n-dodecane solvent in the presence and absence of envisioned loading amounts of uranium.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Two‐Dimensional Superstructures of Silica Cages

Abstract Despite extensive studies on mesoporous silica since the early 1990s, the synthesis of two‐dimensional (2D) silica nanostructures remains challenging. Here, mesoporous silica is synthesized at an interface between two immiscible solvents under conditions leading to the formation of 2D superstructures of silica cages, the thinnest mesoporous silica films synthesized to date. Orientational correlations between cage units increase with increasing layer number controlled via pH, while swelling with oil and mixed surfactants increase micelle size dispersity, leading to complex clathrate type structures in multilayer superstructures. The results suggest that a three‐dimensional (3D) crystallographic registry within cage‐like superstructures emerges as a result of the concerted 3D co‐assembly of the organic and inorganic components. Mesoporous 2D superstructures can be fabricated over macroscopic film dimensions and stacked on top of each other. The realization of previously inaccessible mesoporous silica heterostructures with separation or catalytic properties unachievable via conventional bulk syntheses is envisioned.

Aubert, Tangi↗

Chiral Spin Textures in Amorphous Iron–Germanium Thick Films

Topological solitary fields, such as magnetic and polar skyrmions, are envisioned to revolutionize microelectronics. These configurations have been stabilized in solid-state materials with a global inversion symmetry breaking, which translates in magnetic materials into a vector spin exchange known as the Dzyaloshinskii-Moriya interaction (DMI), as well as spin chirality selection and isotropic solitons. This work reports experimental evidence of 3D chiral spin textures, such as helical spins and skyrmions with different chirality and topological charge, stabilized in amorphous Fe-Ge thick films. Overall, these results demonstrate that structurally and chemically disordered materials with a random DMI can resemble inversion symmetry broken systems with similar magnetic properties, moments, and states. Disordered systems are distinguished from systems with global inversion symmetry breaking by their degenerate spin chirality that allows for forming isotropic and anisotropic topological spin textures at remanence, while offering greater flexibility in materials synthesis, voltage, and strain manipulation.

36 MATERIALS SCIENCE↗