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Tool for Analysis and Reduction of Scientific Data

The Automated Scheduling and Planning Environment (ASPEN) computer program has been updated to version 3.0. ASPEN as a whole (up to version 2.0) has been summarized, and selected aspects of ASPEN have been discussed in several previous NASA Tech Briefs articles. Restated briefly, ASPEN is a modular, reconfigurable, application software framework for solving batch problems that involve reasoning about time, activities, states, and resources. Applications of ASPEN can include planning spacecraft missions, scheduling of personnel, and managing supply chains, inventories, and production lines. ASPEN 3.0 can be customized for a wide range of applications and for a variety of computing environments that include various central processing units and randomaccess memories. Domain-specific reasoning modules (e.g., modules for determining orbits for spacecraft) can easily be plugged into ASPEN 3.0. Improvements over other, similar software that have been incorporated into ASPEN 3.0 include a provision for more expressive time-line values, new parsing capabilities afforded by an ASPEN language based on Extensible Markup Language, improved search capabilities, and improved interfaces to other, utility-type software (notably including MATLAB).

James, Mark↗

Development and Validation of SAM Multi-dimensional Flow Model for Thermal Mixing and Stratification Modeling

Thermal mixing and stratification in large pools or enclosures are very important phenomena that are critical to nuclear reactor safety. Because of the wide ranges of time and length scales associated with such phenomena, accurate modeling and simulation of thermal mixing and stratification remain as the key unresolved, challenging problems for reactor transient analyses. In traditional system analysis codes, simplified zero-dimensional (0-D) models are widely used for their high numerical efficiency, but they generally suffer from very limited prediction accuracies or range of applicability. Like traditional system analysis codes, the current version of the SAM code has implemented such simplified 0-D and one-dimensional mixing models. On the other hand, high-resolution Computational Fluid Dynamics (CFD) tools are often used to model complex thermal mixing and stratification phenomena. They are, however, generally numerically expensive, and they require large amounts of computational resources. It is therefore desirable to implement advanced and efficient thermal mixing and stratification modeling capabilities embedded in a system analysis code. This approach will improve the accuracy of reactor safety analyses when thermal mixing and stratification are involved, and also avoid using the large computational resources needed for high-resolution CFD analysis. Currently, with the support of the U.S. DOE Office of Nuclear Energy’s Nuclear Energy Advanced Modeling and Simulation program, an effort has been launched to develop and implement a multi-dimensional flow model in the system analysis code SAM, and demonstrate its applications to model thermal mixing and stratification phenomena in large enclosures. The main outcomes of this research and development activity are summarized in this report, which presents an attempt to include a built-in advanced multi-dimensional flow model in a system analysis code with the focus on overcoming the simulation challenges of thermal mixing and stratification phenomena. In this report, we start with the introduction of existing SAM code capabilities to simulate thermal mixing and stratification phenomena, which is followed by a short summary of the multi-dimensional model implemented in the SAM code, including both the physical model and the Finite Element Method code implementation. In this study, two options were implemented in the SAM code to model turbulent flows: a relatively simple built-in turbulence model and an interface to accept externally computed turbulent viscosities (e.g., from a high- resolution CFD simulation). Code validation studies on this newly added capability were then carried out to compare SAM simulation results with experimental data from the SUPERCAVNA facility, which was designed to study the complex flow recirculation and thermal stratification phenomena relevant to sodium fast reactor designs. In this study, one transient and two steady-state test cases were used for code validation. Different approaches have been used to model the complex turbulence flow fields in the SUPERCAVNA facility. A highly simplified zero-equation turbulence model was first used, but it was determined that it is too simple to capture the complex turbulence flow fields in these test cases. Subsequently, the code validation continued with the use of turbulent viscosity data from high-resolution STAR-CCM+ CFD simulations to improve the accuracy of the results. Using this approach, the SAM simulation results showed very good agreement with both the SUPERCAVNA experimental data and STAR-CCM+ simulation results. In this report, we demonstrate the development, implementation, and successful validation of a multi-dimensional flow model in the SAM code, which aims to improve the simulation accuracy for complex thermal mixing and stratification phenomena. Lessons have also been learned, including that in cases where the flow fields are not well predicted by the zero-equation model, the iinput of turbulent viscosities from an external source can enhance the overall predictive capabilities needed to accurately capture complex thermal-hydraulic phenomena. Therefore, future research will be needed to further improve the code’s capabilities, such as by developing a more efficient and robust approach to capture the turbulence effects in the SAM code.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Evaluation of cardiopulmonary resuscitation techniques in microgravity

Cardiopulmonary resuscitation (CPR) techniques were investigated in microgravity with specific application to planned medical capabilities for Space Station Freedom (SSF). A KC-135 parabolic flight test was performed with the goal of evaluating and quantifying the efficacy of different types of microgravity CPR techniques. The flight followed the standard 40 parabola profile with 20 to 25 seconds of near-zero gravity in each parabola. Three experiments were involved chosen for their clinical background, certification, and practical experience in prior KC-135 parabolic flight. The CPR evaluation was performed using a standard training mannequin (recording resusci-Annie) which was used in practice prior to the actual flight. Aboard the KC-135, the prototype medical restraint system (MRS) for the SSF Health Maintenance Facility (HMF) was used for part of the study. Standard patient and crew restraints were used for interface with the MRS. During the portion of study where CPR was performed without MRS, a set of straps for crew restraint similar to those currently employed for the Space Shuttle program were used. The entire study was recorded via still camera and video.

Billica, Roger↗

NASA Tech Briefs, February 2009

Tech Briefs are short announcements of innovations originating from research and development activities of the National Aeronautics and Space Administration. They emphasize information considered likely to be transferable across industrial, regional, or disciplinary lines and are issued to encourage commercial application. Topics covered include: Measuring Low Concentrations of Liquid Water in Soil; The Mars Science Laboratory Touchdown Test Facility; Non-Contact Measurement of Density and Thickness Variation in Dielectric Materials; Compact Microwave Fourier Spectrum Analyzer; InP Heterojunction Bipolar Transistor Amplifiers to 255 GHz; Combinatorial Generation of Test Suites; In-Phase Power-Combined Frequency Tripler at 300 GHz; Electronic System for Preventing Airport Runway Incursions; Smaller but Fully Functional Backshell for Cable Connector; Glove-Box or Desktop Virtual-Reality System; Composite Layer Manufacturing with Fewer Interruptions; Improved Photoresist Coating for Making CNT Field Emitters; A Simplified Diagnostic Method for Elastomer Bond Durability; Complex Multifunctional Polymer/Carbon-Nanotube Composites; Very High Output Thermoelectric Devices Based on ITO Nanocomposites; Reducing Unsteady Loads on a Piggyback Miniature Submarine; Ultrasonic/Sonic Anchor; Grooved Fuel Rings for Nuclear Thermal Rocket Engines; Pulsed Operation of an Ion Accelerator; Autonomous Instrument Placement for Mars Exploration Rovers; Mission and Assets Database; TCP/IP Interface for the Satellite Orbit Analysis Program (SOAP); Trajectory Calculator for Finite-Radius Cutter on a Lathe; Integrated System Health Management Development Toolkit.

Source record↗

Core Stage TVC Systems Engineering Challenges in Reusing Heritage Hardware

The Space Launch System (SLS) Core Stage (CS) Thrust Vector Control (TVC) system is comprised of 8 mechanical feedback Shuttle heritage Type III TVC actuators and four RS-25 engines, each attached to a Shuttle heritage gimbal block/bearing. Two actuators are used to move each engine in two planes perpendicular to one another (i.e., pitch and yaw). The TVC system design leverages hardware from the Space Shuttle program as well as new hardware designed specifically for the Core Stage. The Space Shuttle heritage hardware directly reused on SLS includes the Orbiter TVC hydraulic servo-actuators (with two slight design modifications), the Orbiter hydraulic circulation pumps, the Orbiter gimbal block/bearing, and the Solid Rocket Booster hydraulic pumps. The Core Auxiliary Power Unit (CAPU) is derived from the Orbiter Auxiliary Power Unit (APU). The Orbiter and Solid Rocket Booster APU turbines are powered by hot gas produced by catalyzed hydrazine decomposition. On the SLS Core Stage, the CAPU turbine is spun using cold gas tapped-off from the RS-25 to CS liquid hydrogen autogenous pressurization line. While direct reuse or slight modification of existing hardware may seem to be a triple-win for a program in cost, schedule, and technical risk mitigation, those benefits can only be realized when its degree of application in a new system is carefully and thoughtfully managed. The heritage hardware reuse should be prescribed within the heritage design capability and reuse environments must lie within the envelope of heritage qualification testing. Despite the significant test and flight experience of the Shuttle heritage hardware components, successful integration with the newly designed CS TVC components and incorporation into the stage design proved to be a challenge which required re-qualification of the heritage hardware as well as thorough integrated testing to support flight certification. Examples of the challenges that were overcome include: re-qualifying heritage hardware to survive new shock and vibration environments, certifying performance of extensively modified heritage hardware, regenerating design insight due to lack of available heritage vendor data, showing compliance to modern structural design standards, translation of heritage requirements for analog avionics to modern digital avionics, and interfacing heritage mechanical hardware with newly designed avionics. This paper is the second installment in a seven-paper series surveying the design, engineering, test validation, and flight performance of the Core Stage Thrust Vector Control system. This paper will discuss several engineering challenges encountered during the development process for SLS CS TVC and how they were successfully overcome to reach flight readiness.

Thrust Vector Control↗

Space Launch System: Core Stage Thrust Vector Control Systems Engineering Challenges in Reusing Heritage Hardware

The Space Launch System (SLS) Core Stage (CS) Thrust Vector Control (TVC) system is comprised of 8 mechanical feedback Shuttle heritage Type III TVC actuators and four RS-25 engines, each attached to a Shuttle heritage gimbal block/bearing. Two actuators are used to move each engine in two planes perpendicular to one another (i.e., pitch and yaw). The TVC system design leverages hardware from the Space Shuttle program as well as new hardware designed specifically for the Core Stage. The Space Shuttle heritage hardware directly reused on SLS includes the Orbiter TVC hydraulic servo-actuators (with two slight design modifications), the Orbiter hydraulic circulation pumps, the Orbiter gimbal block/bearing, and the Solid Rocket Booster hydraulic pumps. The Core Auxiliary Power Unit (CAPU) is derived from the Orbiter Auxiliary Power Unit (APU). The Orbiter and Solid Rocket Booster APU turbines are powered by hot gas produced by catalyzed hydrazine decomposition. On the SLS Core Stage, the CAPU turbine is spun using cold gas tapped-off from the RS-25 to CS liquid hydrogen autogenous pressurization line. While direct reuse or slight modification of existing hardware may seem to be a triple-win for a program in cost, schedule, and technical risk mitigation, those benefits can only be realized when its degree of application in a new system is carefully and thoughtfully managed. The heritage hardware reuse should be prescribed within the heritage design capability and reuse environments must lie within the envelope of heritage qualification testing. Despite the significant test and flight experience of the Shuttle heritage hardware components, successful integration with the newly designed CS TVC components and incorporation into the stage design proved to be a challenge which required re-qualification of the heritage hardware as well as thorough integrated testing to support flight certification. Examples of the challenges that were overcome include: re-qualifying heritage hardware to survive new shock and vibration environments, certifying performance of extensively modified heritage hardware, regenerating design insight due to lack of available heritage vendor data, showing compliance to modern structural design standards, translation of heritage requirements for analog avionics to modern digital avionics, and interfacing heritage mechanical hardware with newly designed avionics. This paper is the second installment in a seven-paper series surveying the design, engineering, test validation, and flight performance of the Core Stage Thrust Vector Control system. This paper will discuss several engineering challenges encountered during the development process for SLS CS TVC and how they were successfully overcome to reach flight readiness.

Thrust Vector Control↗

Kamodo’s Model-Agnostic Satellite Flythrough: Lowering the Utilization Barrier for Heliophysics Model Outputs

Heliophysics model outputs are increasingly accessible, but typically are not usable by the majority of the community unless directly collaborating with the relevant model developers. Prohibitive factors include complex file output formats, cryptic metadata, unspecified and often customized coordinate systems, and non-linear coordinate grids. Some pockets of progress exist, giving interfaces to various simulation outputs, but only for a small set of outputs and typically not with open-source, freely available packages. Additionally, the increasing array of tools built upon these sporadic interfaces are typically model-specific. We present Kamodo’s model-agnostic satellite flythrough capabilities as the solution to the utilization barrier for heliophysics model outputs. Developed at the Community Coordinated Modeling Center, these flythrough capabilities are built in Python upon a network of model-agnostic interfaces developed in collaboration with model developers, providing interpolation results the community can trust. Kamodo’s flythrough capabilities present the user with a growing variety of flythrough tools based upon a rapidly expanding library of heliophysics model outputs in several domains, currently including a variety of Ionosphere-Thermosphere-Mesosphere and global magnetosphere model outputs. Each capability is designed to be easily accessible via simplistic model-agnostic syntax, with the entire package freely available in the cloud on Github. Here, we describe the tools developed, include several sample applications for common science questions, demonstrate interoperability with selected packages, and summarize ongoing developments.

Software↗

The Hydropower Game: An Interactive Learning Tool for the Future Hydropower Workforce

This report documents a Seedling project supported by the U.S. Department of Energy (DOE) Water Power Technologies Office (WPTO), conducted by Argonne National Laboratory (ANL) and the National Laboratory of the Rockies (NLR). The Seedling and Sapling Program provides small grants over short duration to enable early-stage research at national laboratories. This funding mechanism is intended to cultivate innovative ideas and expand research road maps in hydropower and marine energy technologies. Under this Seedling award, the project team developed an educational outreach tool, or “serious game”, built in Python and powered by the Pygame library, aimed at teaching fundamental hydropower concepts through an engaging, interactive learning experience. The game features multiple lessons covering several hydropower topics while allowing for expansion and customization in the instance of future funding availability: • Hydropower Plant Types: Players explore and compare the mechanics and applications of run-of-river, dam hydropower, and pumped-storage hydropower. • Flow Dynamics and Power Generation: Interactive tasks demonstrate how release rate and hydraulic head combine to determine power output. • Grid Operations and Load Following: Simulations illustrate how hydropower facilities respond to fluctuating electricity demand to balance the grid. • Market Integration: Levels scaffold understanding of how hydropower interfaces with the broader energy market, including operational and economic considerations. The tool was showcased at several science, technology, engineering, and mathematics (STEM) outreach events, where it was demoed to students, educators, and the general public. These events provided valuable opportunities to collect feedback on the gameplay, storyline, and educational objectives from a wide audience. The game was presented at STEMapalooza, Introduce a Girl to Engineering Day, STEMCON, and Clean Currents 2025. Insights gathered during these demonstrations informed refinements to the game’s user experience and strengthened its effectiveness as an educational tool for teaching hydropower concepts. This report outlines the game’s design philosophy, educational objectives, technical implementation, user experience insights, and potential for broader deployment within educational and workforce development contexts. It emphasizes how gamified learning can demystify complex hydropower science and inspire interest in water-power technologies. The project’s success demonstrates the value of Seedling funding in fostering creative, lowcost educational tools that support DOE’s mission to advance energy literacy and innovation. The report concludes with recommendations for expanding the tool by adding new levels, integrating assessment metrics, and exploring commercialization or deployment pathways through future Sapling funding. The official webpage of the Hydropower Game, which includes a link to the educational tool, can be accessed at www.anl.gov/hydropower/hydropower-game.

13 HYDRO ENERGY↗

Magnetic Damping of Solid Solution Semiconductor Alloys

The objective of this study is to: (1) experimentally test the validity of the modeling predictions applicable to the magnetic damping of convective flows in electrically conductive melts as this applies to the bulk growth of solid solution semiconducting materials; and (2) assess the effectiveness of steady magnetic fields in reducing the fluid flows occurring in these materials during processing. To achieve the objectives of this investigation, we are carrying out a comprehensive program in the Bridgman and floating-zone configurations using the solid solution alloy system Ge-Si. This alloy system has been studied extensively in environments that have not simultaneously included both low gravity and an applied magnetic field. Also, all compositions have a high electrical conductivity, and the materials parameters permit reasonable growth rates. An important supporting investigation is determining the role, if any, that thermoelectromagnetic convection (TEMC) plays during growth of these materials in a magnetic field. TEMC has significant implications for the deployment of a Magnetic Damping Furnace in space. This effect will be especially important in solid solutions where the growth interface is, in general, neither isothermal nor isoconcentrational. It could be important in single melting point materials, also, if faceting takes place producing a non-isothermal interface. In conclusion, magnetic fields up to 5 Tesla are sufficient to eliminate time-dependent convection in silicon floating zones and possibly Bridgman growth of Ge-Si alloys. In both cases, steady convection appears to be more significant for mass transport than diffusion, even at 5 Tesla in the geometries used here. These results are corroborated in both growth configurations by calculations.

Szofran, Frank R.↗

Slow Crack Growth and Fatigue Life Prediction of Ceramic Components Subjected to Variable Load History

Present capabilities of the NASA CARES/Life (Ceramic Analysis and Reliability Evaluation of Structures/Life) code include probabilistic life prediction of ceramic components subjected to fast fracture, slow crack growth (stress corrosion), and cyclic fatigue failure modes. Currently, this code has the capability to compute the time-dependent reliability of ceramic structures subjected to simple time-dependent loading. For example, in slow crack growth (SCG) type failure conditions CARES/Life can handle the cases of sustained and linearly increasing time-dependent loads, while for cyclic fatigue applications various types of repetitive constant amplitude loads can be accounted for. In real applications applied loads are rarely that simple, but rather vary with time in more complex ways such as, for example, engine start up, shut down, and dynamic and vibrational loads. In addition, when a given component is subjected to transient environmental and or thermal conditions, the material properties also vary with time. The objective of this paper is to demonstrate a methodology capable of predicting the time-dependent reliability of components subjected to transient thermomechanical loads that takes into account the change in material response with time. In this paper, the dominant delayed failure mechanism is assumed to be SCG. This capability has been added to the NASA CARES/Life (Ceramic Analysis and Reliability Evaluation of Structures/Life) code, which has also been modified to have the ability of interfacing with commercially available FEA codes executed for transient load histories. An example involving a ceramic exhaust valve subjected to combustion cycle loads is presented to demonstrate the viability of this methodology and the CARES/Life program.

Jadaan, Osama↗

BioSIGHT: Interactive Visualization Modules for Science Education

Redefining science education to harness emerging integrated media technologies with innovative pedagogical goals represents a unique challenge. The Integrated Media Systems Center (IMSC) is the only engineering research center in the area of multimedia and creative technologies sponsored by the National Science Foundation. The research program at IMSC is focused on developing advanced technologies that address human-computer interfaces, database management, and high-speed network capabilities. The BioSIGHT project at is a demonstration technology project in the area of education that seeks to address how such emerging multimedia technologies can make an impact on science education. The scope of this project will help solidify NASA's commitment for the development of innovative educational resources that promotes science literacy for our students and the general population as well. These issues must be addressed as NASA marches toward the goal of enabling human space exploration that requires an understanding of life sciences in space. The IMSC BioSIGHT lab was established with the purpose of developing a novel methodology that will map a high school biology curriculum into a series of interactive visualization modules that can be easily incorporated into a space biology curriculum. Fundamental concepts in general biology must be mastered in order to allow a better understanding and application for space biology. Interactive visualization is a powerful component that can capture the students' imagination, facilitate their assimilation of complex ideas, and help them develop integrated views of biology. These modules will augment the role of the teacher and will establish the value of student-centered interactivity, both in an individual setting as well as in a collaborative learning environment. Students will be able to interact with the content material, explore new challenges, and perform virtual laboratory simulations. The BioSIGHT effort is truly cross-disciplinary in nature and requires expertise from many areas including Biology, Computer Science Electrical Engineering, Education, and the Cognitive Sciences. The BioSIGHT team includes a scientific illustrator, educational software designer, computer programmers as well as IMSC graduate and undergraduate students.

Wong, Wee Ling↗

BioSIGHT: Interactive Visualization Modules for Science Education

Redefining science education to harness emerging integrated media technologies with innovative pedagogical goals represents a unique challenge. The Integrated Media Systems Center (IMSC) is the only engineering research center in the area of multimedia and creative technologies sponsored by the National Science Foundation. The research program at IMSC is focused on developing advanced technologies that address human-computer interfaces, database management, and high- speed network capabilities. The BioSIGHT project at IMSC is a demonstration technology project in the area of education that seeks to address how such emerging multimedia technologies can make an impact on science education. The scope of this project will help solidify NASA's commitment for the development of innovative educational resources that promotes science literacy for our students and the general population as well. These issues must be addressed as NASA marches towards the goal of enabling human space exploration that requires an understanding of life sciences in space. The IMSC BioSIGHT lab was established with the purpose of developing a novel methodology that will map a high school biology curriculum into a series of interactive visualization modules that can be easily incorporated into a space biology curriculum. Fundamental concepts in general biology must be mastered in order to allow a better understanding and application for space biology. Interactive visualization is a powerful component that can capture the students' imagination, facilitate their assimilation of complex ideas, and help them develop integrated views of biology. These modules will augment the role of the teacher and will establish the value of student-centered interactivity, both in an individual setting as well as in a collaborative learning environment. Students will be able to interact with the content material, explore new challenges, and perform virtual laboratory simulations. The BioSIGHT effort is truly cross-disciplinary in nature and requires expertise from many areas including Biology, Computer Science, Electrical Engineering, Education, and the Cognitive Sciences. The BioSIGHT team includes a scientific illustrator, educational software designer, computer programmers as well as IMSC graduate and undergraduate students. Our collaborators include TERC, a research and education organization with extensive k-12 math and science curricula development from Cambridge, MA.; SRI International of Menlo Park, CA.; teachers and students from local area high schools (Newbury Park High School, USC's Family of Five schools, Chadwick School, and Pasadena Polytechnic High School).

Wong, Wee Ling↗

Computational Methods for HSCT-Inlet Controls/CFD Interdisciplinary Research

A program aimed at facilitating the use of computational fluid dynamics (CFD) simulations by the controls discipline is presented. The objective is to reduce the development time and cost for propulsion system controls by using CFD simulations to obtain high-fidelity system models for control design and as numerical test beds for control system testing and validation. An interdisciplinary team has been formed to develop analytical and computational tools in three discipline areas: controls, CFD, and computational technology. The controls effort has focused on specifying requirements for an interface between the controls specialist and CFD simulations and a new method for extracting linear, reduced-order control models from CFD simulations. Existing CFD codes are being modified to permit time accurate execution and provide realistic boundary conditions for controls studies. Parallel processing and distributed computing techniques, along with existing system integration software, are being used to reduce CFD execution times and to support the development of an integrated analysis/design system. This paper describes: the initial application for the technology being developed, the high speed civil transport (HSCT) inlet control problem; activities being pursued in each discipline area; and a prototype analysis/design system in place for interactive operation and visualization of a time-accurate HSCT-inlet simulation.

Cole, Gary L.↗

Software for Simulating Air Traffic

Future Air Traffic Management Concepts Evaluation Tool (FACET) is a system of software for performing computational simulations for evaluating advanced concepts of advanced air-traffic management. FACET includes a program that generates a graphical user interface plus programs and databases that implement computational models of weather, airspace, airports, navigation aids, aircraft performance, and aircraft trajectories. Examples of concepts studied by use of FACET include aircraft self-separation for free flight; prediction of air-traffic-controller workload; decision support for direct routing; integration of spacecraft-launch operations into the U.S. national airspace system; and traffic- flow-management using rerouting, metering, and ground delays. Aircraft can be modeled as flying along either flight-plan routes or great-circle routes as they climb, cruise, and descend according to their individual performance models. The FACET software is modular and is written in the Java and C programming languages. The architecture of FACET strikes a balance between flexibility and fidelity; as a consequence, FACET can be used to model systemwide airspace operations over the contiguous U.S., involving as many as 10,000 aircraft, all on a single desktop or laptop computer running any of a variety of operating systems. Two notable applications of FACET include: (1) reroute conformance monitoring algorithms that have been implemented in one of the Federal Aviation Administration s nationally deployed, real-time, operational systems; and (2) the licensing and integration of FACET with the commercially available Flight Explorer, which is an Internet- based, real-time flight-tracking system.

Sridhar, Banavar↗

Air-Stable Calcium Cyanamide-Supported Ruthenium Catalyst for Ammonia Synthesis and Decomposition

Efficient ammonia synthesis and decomposition processes under mild conditions are important to meet the expanding demand in major applications of ammonia as the energy carrier and to provide feedstock for chemical industry. In this study, we report that air-stable calcium cyanamide-supported ruthenium (Ru/CaCN 2 ) works as an efficient and stable catalyst for ammonia synthesis and decomposition. Ru/CaCN 2 exhibits greater catalytic performances for both reactions than Ru/Ca 2 N electride and Ru–Cs/MgO. The kinetic analysis for ammonia synthesis suggests that Ru/CaCN 2 exhibits low apparent activation energy and high resistance to hydrogen poisoning, which has characteristics similar to the kinetic parameters of Ru-supported electride catalyst. H 2 -temperature programmed reaction and temperature programmed desorption revealed that Ru promoted the formation of CN 2 vacancies on the CaCN 2 surface which in turn capture hydrogen as H – ions during the reaction. Density functional theory calculations provide insights into how the formation of CN 2 vacancies is promoted by Ru, which leads to the decrease in the work function of the CaCN 2 surface and the hydrogen capture at the Ru-support interface. These results suggest that the high catalytic performance of Ru/CaCN 2 can be attributed to the formation of a quasi-electride structure at the Ru–CaCN 2 interface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

BRAINSTACK – A Platform for Artificial Intelligence & Machine Learning Collaborative Experiments on a Nano-Satellite

As space missions continue to become more ambitious, complex, and distant to Earth, the need for advanced on-board intelligent decision making to guide everything from mission operations to fault detection and recovery has become a major front of space research. While the prevalence of research on such Artificial Intelligence / Machine Learning (AI/ML) modules has exploded, the capacity to experimentally validate such modules in space in a rapid and inexpensive format has not. To this end, the Nano Orbital Workshop (NOW) group at NASA Ames Research Center has been at the forefront of performing initial flight evaluation tests of ‘commercially’ available AI/ML computational platforms via the TechEdSat (TES-n) flight series as part of what is programmatically referred to as the BRAINSTACK. BRAINSTACK will provide an orbital AI/ML evaluation laboratory where computational experiments are pre-loaded into memory prior to launch, and then executed as desired during the mission, with results reported back and program tweaks or new data sets uploaded as needed. Processors selected as part of the BRAINSTACK are of ideal size, packaging, and power consumption for easy integration into a cube satellite structure. These experiments have included the evaluation of small, high-performance GPUs and more recently, neuromorphic processors in LEO operations. Neuromorphic processors are of particular interest due to their superior computational power efficiency over GPUs. The first TES-n flight test of an Intel first-generation Loihi neuromorphic processor launched on January 13, 2022 and continues to operate in orbit despite almost no space environment modifications. The Intel Loihi Gen-1 is characterized by a 14nm 128-core Spiking Neural Network (SNN) able to support on-chip training. This experiment utilized a Loihi packaged in the ‘Kapoho Bay’ USB module, providing a relatively straight-forward interface to the bus avionics system. The Kapoho Bay was in turn managed by a host Intel Pentium single-board computer to handle scheduling of the AI/ML application payloads, and communications with the satellite vehicle manager. The recently released Intel Loihi Gen-2, able to support integer-valued spike payloads and produced using 7nm process, will form part of the basis of the evolving BRAINSTACK in the upcoming three TES-n/NOW flights. Additionally, it is planned to measure the radiation environment these processors experience to understand any degradation or computational artifacts caused by long term space radiation exposure on these novel architectures. This evolving flexible and collaborative environment involving various research teams across NASA and other organizations is intended to be a convenient orbital test platform from which many anticipated future space AI/ML applications may be initially tested.

Artificial Intelligence↗

BRAINSTACK – A Platform for Artificial Intelligence & Machine Learning Collaborative Experiments on a Nano-Satellite

As space missions continue to become more ambitious, complex, and distant to Earth, the need for advanced on-board intelligent decision making to guide everything from mission operations to fault detection and recovery has become a major front of space research. While the prevalence of research on such Artificial Intelligence / Machine Learning (AI/ML) modules has exploded, the capacity to experimentally validate such modules in space in a rapid and inexpensive format has not. To this end, the Nano Orbital Workshop (NOW) group at NASA Ames Research Center has been at the forefront of performing initial flight evaluation tests of ‘commercially’ available AI/ML computational platforms via the TechEdSat (TES-n) flight series as part of what is programmatically referred to as the BRAINSTACK. BRAINSTACK will provide an orbital AI/ML evaluation laboratory where computational experiments are pre-loaded into memory prior to launch, and then executed as desired during the mission, with results reported back and program tweaks or new data sets uploaded as needed. Processors selected as part of the BRAINSTACK are of ideal size, packaging, and power consumption for easy integration into a cube satellite structure. These experiments have included the evaluation of small, high-performance GPUs and more recently, neuromorphic processors in LEO operations. Neuromorphic processors are of particular interest due to their superior computational power efficiency over GPUs. The first TES-n flight test of an Intel first-generation Loihi neuromorphic processor launched on January 13, 2022 and continues to operate in orbit despite almost no space environment modifications. The Intel Loihi Gen-1 is characterized by a 14nm 128-core Spiking Neural Network (SNN) able to support on-chip training. This experiment utilized a Loihi packaged in the ‘Kapoho Bay’ USB module, providing a relatively straight-forward interface to the bus avionics system. The Kapoho Bay was in turn managed by a host Intel Pentium single-board computer to handle scheduling of the AI/ML application payloads, and communications with the satellite vehicle manager. The recently released Intel Loihi Gen-2, able to support integer-valued spike payloads and produced using 7nm process, will form part of the basis of the evolving BRAINSTACK in the upcoming three TES-n/NOW flights. Additionally, it is planned to measure the radiation environment these processors experience to understand any degradation or computational artifacts caused by long term space radiation exposure on these novel architectures. This evolving flexible and collaborative environment involving various research teams across NASA and other organizations is intended to be a convenient orbital test platform from which many anticipated future space AI/ML applications may be initially tested.

Artificial Intelligence↗

TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations

TURBOMOLE is a collaborative, multi-national software development project aiming to provide highly efficient and stable computational tools for quantum chemical simulations of molecules, clusters, periodic systems, and solutions. The TURBOMOLE software suite is optimized for widely available, inexpensive, and resource-efficient hardware such as multi-core workstations and small computer clusters. TURBOMOLE specializes in electronic structure methods with outstanding accuracy–cost ratio, such as density functional theory including local hybrids and the random phase approximation (RPA), GW-Bethe–Salpeter methods, second-order Møller–Plesset theory, and explicitly correlated coupled-cluster methods. TURBOMOLE is based on Gaussian basis sets and has been pivotal for the development of many fast and low-scaling algorithms in the past three decades, such as integral-direct methods, fast multipole methods, the resolution-of-the-identity approximation, imaginary frequency integration, Laplace transform, and pair natural orbital methods. This review focuses on recent additions to TURBOMOLE’s functionality, including excited-state methods, RPA and Green’s function methods, relativistic approaches, high-order molecular properties, solvation effects, and periodic systems. A variety of illustrative applications along with accuracy and timing data are discussed. Moreover, available interfaces to users as well as other software are summarized. TURBOMOLE’s current licensing, distribution, and support model are discussed, and an overview of TURBOMOLE’s development workflow is provided. Challenges such as communication and outreach, software infrastructure, and funding are highlighted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗