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matsim-agents v1.0

matsim-agents is a multi-agent AI framework for atomistic materials simulation and discovery. It orchestrates large language models (LLMs), machine-learned interatomic potentials (MLIPs), and DFT codes into a single agentic loop running on laptops and DOE leadership-class supercomputers. MULTI-AGENT ORCHESTRATION A LangGraph state machine with three nodes: a Planner that converts a natural-language research objective into structured tasks; an Executor that dispatches atomistic tools and loops until the queue is empty; and an Analyst that summarizes results into a human-readable report. State is checkpointed after every step and human-in-the-loop gates can be inserted at any edge. HYPOTHESIS-DRIVEN DISCOVERY CHAT An interactive REPL (matsim-agents chat) that couples LLM dialogue with atomistic simulation. Chemical formulas are automatically detected in conversation turns and trigger a full crystal-phase exploration: structure generation → relaxation → stability scoring → result injection back into the conversation, creating a closed hypothesis-refinement loop. CRYSTAL PHASE ENUMERATION Given a composition, the phase explorer enumerates prototypes by stoichiometry: elemental (fcc/bcc/hcp/sc/diamond), binary 1:1 (rocksalt/CsCl/zincblende/ wurtzite/fluorite/rutile), ternary 1:1:3 (cubic perovskite), ternary 1:2:4 (perovskite + spinel), quaternary 1:1:2:6 (Fm-3m double perovskite). 2-D prototypes (graphene, h-BN, MoS2 2H/1T) and multilayer stacking are also supported via --include-2d and --num-layers. SUPERCELL GENERATION AND SITE DECORATION Auto-tiling to a minimum atom count (--min-atoms), explicit NxNxN tiling (--supercell), symmetry-distinct site decorations (--n-orderings), and isotropic lattice-scale sweeps (--lattice-scales) for volume bracketing. MLFF RELAXATION AND STABILITY SCORING HydraGNN (multi-headed GNN) drives structure relaxation via ASE with FIRE, BFGS, or BFGSLineSearch. Stability output: delta-E/atom ranking across phases and a max-residual-force dynamical-stability proxy. Other MLIPs (MACE, NequIP, Orb) can be plugged in through the same interface. DFT BACKENDS Quantum ESPRESSO pw.x and VASP 6.6 are first-class labellers. Both have validated GPU builds and SLURM/PBS launchers for three DOE platforms: Frontier (AMD MI250X, ROCm), Aurora (Intel PVC, oneAPI), Perlmutter (NVIDIA A100, CUDA). QE produces ~100 binaries (pw.x, ph.x, epw.x, ...). VASP supports scf, relax, vc-relax, and vc-relax-shape run types. ACTIVE-LEARNING LOOP matsim-agents al run CONFIG.yaml drives an iterative HydraGNN-DFT loop: MD generates candidates → ensemble/MC-dropout uncertainty selects the most informative → DFT labels them in parallel inside one allocation → dataset grows → HydraGNN retrains → repeat. DFT backend is a single YAML toggle (dft.backend: vasp | qe). LLM-generated seed structures are supported (no curated POSCAR library needed). Config uses ${VAR}, ${VAR:-default}, ${VAR:?msg} shell-style substitution for cross-user/cross-site portability. LLM BACKENDS Ollama (local, default), vLLM (HPC multi-GPU serving), OpenAI, Anthropic, HuggingFace Transformers+Accelerate. Selected at runtime via flag or env var with no code changes. HPC PORTABILITY Same Python entry points run on Frontier (ROCm 7.2), Aurora (oneAPI), and Perlmutter (CUDA 12). DFT and ML stacks are never co-loaded in the same shell; they couple through the scheduler and filesystem. Advanced multi-node launchers (serve, discovery-chat, single-relaxation, active-learning, QE warm-start) are provided for all three platforms. CODABENCH COMPETITION BUNDLE A self-contained benchmark: 159 atomistic test structures across 11 material classes, 5 tasks (formation energy, forces, ML relaxation, AI-DFT relaxation, phase stability ranking), public/private leaderboard split (30/70), and four ready-to-run baselines: MACE-MP-0, HydraGNN, UMA, AllScAIP.

Lupo Pasini, Massimiliano [Oak Ridge National Labo↗

Robotic Technology Efforts at the NASA/Johnson Space Center

The NASA/Johnson Space Center has been developing robotic systems in support of space exploration for more than two decades. The goal of the Center's Robotic Systems Technology Branch is to design and build hardware and software to assist astronauts in performing their mission. These systems include: rovers, humanoid robots, inspection devices and wearable robotics. Inspection systems provide external views of space vehicles to search for surface damage and also maneuver inside restricted areas to verify proper connections. New concepts in human and robotic rovers offer solutions for navigating difficult terrain expected in future planetary missions. An important objective for humanoid robots is to relieve the crew of "dull, dirty or dangerous" tasks allowing them more time to perform their important science and exploration missions. Wearable robotics one of the Center's newest development areas can provide crew with low mass exercise capability and also augment an astronaut's strength while wearing a space suit. This presentation will describe the robotic technology and prototypes developed at the Johnson Space Center that are the basis for future flight systems. An overview of inspection robots will show their operation on the ground and in-orbit. Rovers with independent wheel modules, crab steering, and active suspension are able to climb over large obstacles, and nimbly maneuver around others. Humanoid robots, including the First Humanoid Robot in Space: Robonaut 2, demonstrate capabilities that will lead to robotic caretakers for human habitats in space, and on Mars. The Center's Wearable Robotics Lab supports work in assistive and sensing devices, including exoskeletons, force measuring shoes, and grasp assist gloves.

Diftler, Ron↗

Lunabotics Robotic Mining Competition for Universities

Space Mining for resources such as water ice, and regolith, which contain many elements in the form of metals, minerals, volatiles and other compounds, is a necessary step for In-Situ Space Resource Utilization (ISRU). One of the primary goals is to extract propellants from the regolith and water ice, such as oxygen and hydrogen which could then be used for in-space transportation. In addition, the space mining system can be used for various construction tasks that can benefit human and robotic exploration as well as scientific investigations based on excavated exposed topography, such as the side walls of trenches. The National Aeronautics & Space Administration (NASA) “Lunabotics” Robotic Mining Competition (RMC) is a university-level competition designed to engage and retain students in science, technology, engineering and mathematics (STEM). NASA has directly benefited from the competition by encouraging the development of innovative lunar excavation concepts from universities which has resulted in clever ideas and solutions which could be applied to an actual lunar excavation device or payload. The challenge is for students to design and build a remote controlled or autonomous 80 kg mass lightweight excavator, called a “lunabot”, which can collect and deposit a minimum of 10 kilograms of lunar simulant within 15 minutes. In recent years the goal has been changed to excavate a minimum of 1 kg of simulated icy regolith which is found under an overburden of regolith simulant. The complexities of the challenge include the abrasive characteristics of the lunar regolith simulant, the weight and size limitations of the lunabot, and the ability to control the lunabot from a remote mission control center or operate it autonomously. This presentation will summarize the results of the Lunabotics Robotic Mining Competitions held in May 2022. Each year, since 2010, over 50 university teams have attended, resulting in over 500 lunabot designs and subsequent prototypes. Over 6,000 university students have been part of the on-site competition at KSC, and many are employed in the space sector today with thriving careers. Even more students and the public were engaged via internet broadcasting and social networking media. Examples of how this translates to hiring opportunities for commercial sponsors will also be discussed. Overall, this competition has proven to be popular with multi-disciplinary university senior design classes and a valuable tool for NASA and academia in educating and inspiring the next generation of space engineers.

Lunabotics↗

Development Unit for In-Space Pneumatic Helium Transfer Compressor

High-pressure gaseous helium (GHe) plays a critical role in spacecraft propulsion due to its near exclusive use for pressurization of propellant tanks. Several different designs for helium compressor technologies have been developed for use on Earth; however, significant design changes are required to meet the power, thermal/heat dissipation, vacuum, vibration/shock, size, mass, and efficiency requirements needed for space and launch environments. Currently, no capability exists for mass efficient on-orbit GHe (or xenon) transfer, nor has it ever been attempted. This effort proposed several challenging requirements for the vendor to develop a one-of-a-kind pneumatic compressor prototype. In order to develop a compressor prototype at a TRL 4, a partnership with Air Squared, Inc. was established. This CIF project concluded with the receipt of a prototype along with a proposed design for a flight unit; however, it will not be built due to funding limitations. The vendor had moderate success with initial testing of the prototype at lower pressures (with shimming configured for low pressure). There were delays with testing since the unit was built for higher pressures and the low pressure shimming was challenging to implement. It was found that operation of the compressor at lower pressures caused increased friction on the motor shaft which resulted in the unit drawing more power (current). This was initially thought to be a motor or controller defect. Subsequent high pressure testing at KSC showed that the friction was reduced for the optimal design point (with a high pressure shimming configuration) and the motor (and controller) performed nominally. Following the vendor testing, the unit was tuned/shimmed for a nominal inlet pressure and shipped to KSC for high pressure testing using the custom-designed setup in the Vehicle Assembly Building. The unit performed well, showing the capability to achieve over higher pressure of compression. The pressure differential could likely increase, however, the maximum output of the power supply used for testing was reached, limiting the compressor motor’s capability. Following the GN2 testing, the test setup was converted to GHe with at high pressure. It was shown that although the unit was unable to achieve similar high pressure differentials due to reverse leakage of the GHe through the scroll tip seals, it did achieve the desired GHe compression. This may still be useful for some applications, however, for the purpose of on-orbit GHe transfer, the single stage design would need to be changed to include multiple stages to achieve the compression goals initially proposed by the project.

Brian Nufer↗

Wire arc additive manufactured A36 steel performance for marine renewable energy systems

Additive manufacturing has established itself to be advantageous beyond small-scale prototyping, now supporting full-scale production of components for a variety of applications. Despite its integration across industries, marine renewable energy technology is one largely untapped application with potential to bolster clean energy production on the global scale. Wave energy converters (WEC) are one specific facet within this realm that could benefit from AM. As such, wire arc additive manufacturing (WAAM) has been identified as a practical method to produce larger scale marine energy components by leveraging cost-effective and readily available A36 steel feedstock material. The flexibility associated with WAAM can benefit production of WEC by producing more complex structural geometries that are challenging to produce traditionally. Additionally, for large components where fine details are less critical, the high deposition rate of WAAM in comparison to traditional wrought techniques could reduce build times by an order of magnitude. In this context of building and supporting WEC, which experience harsh marine environments, an understanding of performance under large loads and corrosive environments must be understood. Hence, WAAM and wrought A36 steel tensile samples were manufactured, and mechanical properties compared under both dry and corroded conditions. Here, the unique microstructure created via the WAAM process was found to directly correlate to the increased ultimate tensile and yield strength compared to the wrought condition. Static corrosion testing in a simulated saltwater environment in parallel with electrochemical testing highlighted an outperformance of corroded WAAM A36 steel than wrought, despite having a slighter higher corrosion rate. Ultimately, this study shows how marine energy systems may benefit from additive manufacturing components and provides a foundation for future applications of WAAM A36 steel.

36 MATERIALS SCIENCE↗

Coal-based Bricks & Blocks (CBBs): Process Development to Prototype Fabrication Coupled with Techno-Economic Analysis and Market Survey

Coal-based bricks and blocks (CBBs) were formulated using anthracite and thermoplastic binder. Lab scale test composites were formed by hot-press molding and commercial extrusion for test articles and for a full-scale prototype. Formulations and test matrices followed a systematic experimental design to examine the effects of and interactions among three primary independent variables: a) thermoplastic type, b) weight fractions of binder relative to the total anthracite weight, and c) relative proportions of large versus small (milled) anthracite size fractions. Technical performance metrics include compressive strength, modulus, porosity/permeability and density. These DoE studies establish composition-property relations and identify the best combination for any desired property of interest – in particular, strength. Based on CBB composition and fabrication process, validated against technical performance metrics, a techno-economic analysis was constructed which incorporated a process flow model, engineering design (with scaling), and calculated capital plus operating costs. Based on measured property metrics and estimated process economics and a projected price by TEA (techno-economic analysis), building and construction target markets were identified by a market survey assessment. With known cost, price, performance metrics and competitive advantages for CBBs matched with commercial applications/uses, a technical gap analysis was performed to identify further development required for scale-up and commercialization.

01 COAL, LIGNITE, AND PEAT↗

Peak Satellite-to-Earth Data Rates Derived From Measurements of a 20 Gbps Bread-Board Modem

A prototype data link using a Ka-band space qualified, high efficiency 200 W TWT amplifier and a bread-board modem emulator were created to explore the feasibility of very high speed communications in satellite-to-earth applications. Experiments were conducted using a DVB-S2-like waveform with modifications to support up to 20 Gbps through the addition of 128-Quadrature Amplitude Modulation (QAM). Limited by the bandwidth of the amplifier, a constant peak symbol rate of 3.2 Giga-symbols/sec was selected and the modulation order was varied to explore what peak data rate might be supported by an RF link through this amplifier. Using 128-QAM, an implementation loss of 3 dB was observed at 20 Gbps, and the loss decreased as data rate or bandwidth were reduced. Building on this measured data, realistic link budget calculations were completed. Low-Earth orbit (LEO) missions based on this TWTA with reasonable hardware assumptions and antenna sizing are found to be bandwidth-limited, rather than power-limited, making the spectral efficiency of 9/10-rate encoded 128-QAM very attractive. Assuming a bandwidth allocation of 1 GHz, these computations indicate that low-Earth orbit vehicles could achieve data rates up to 5 Gbps-an order of magnitude beyond the current state-of-practice, yet still within the processing power of a current FPGA-based software-defined modem. The measured performance results and a description of the experimental setup are presented to support these conclusions.

Landon, David G.↗

Imagine Moving Off the Planet

Moving off the planet will be a defining moment of this century as landing on the Moon was in the last. For that to happen for humans to go where humans cannot go-- simulation is the sole solution. NASA supports simulation for life-cycle activities: design, analysis, test, checkout, operations, review and training. We contemplate time spans of a century and more, teams dispersed to different planets and the need for systems that endure or adapt as missions, teams and technology change. Without imagination such goals are impossible. But with imagination we can go outside our present perception of reality to think about and take action on what has been, is and, especially, what might be. Consciously maturing an imagined, possibly workable, idea through framing it to optimization to design, and building the product provides us with a new approach to innovation and simulation fidelity. We address options, analyze, test and make improvements in how we think and work. Each step includes increasingly exact information about costs, schedule, who will be needed, where, when and how. NASA i integrating such thinking into its Exploration Product Realization Hierarchy for simulation and analysis, test and verification, and stimulus response goals. Technically NASA follows a timeline of studies, analysis, definition, design, development and operations with concurrent documentation. We have matched this Product Realization Hierarchy with a continuum from image to realization that incorporates commitment, current and needed research and communication to ensure superior and creative problem solving as well as advances in simulation. One result is a new approach to collaborative systems. Another is a distributed observer network prototyped using game engine technology bringing advanced 3-D simulation of a simulation to the desktop enabling people to develop shared consensus of its meaning. Much of the value of simulation comes from developing in people their ability to make good decisions and reflexes supporting impressive achievement. Synthesizing imagination systematically into our work - and thus our success - is a challenge. NASA engineers have inventive minds, and the task is determining how best to enable them to devise the simulation and other innovations that will make a story so clear and so intellectually sound that people can carry out the mission for 50-100 years. This demands skills and knowledge traditionally under-respected and under-represented in technology organizations. But we are beginning to see that the process encourages efficiency and enables us to attain more effective results. We have to elicit imaginative, intelligent and effective ways to make better use than ever of the minds we have and will have available. We have to accept the challenge to accomplish tasks among dispersed interdisciplinary teams who must overcome changing priorities and technology, time and distance in order to maximize interactivity and innovation as never before. Attention to the process of innovation is a practical means to increase the efficiency of our intelligence. We have an obligation to reexamine and improve the process by which we approach and exercise innovation as we accept the charge to move off the planet.

Elfrey, Priscilla R.↗

Design, construction, and testing of no-insulation small subscale solenoids for compact tokamaks

Fusion energy systems studies (FESS) for next-step devices based on the most promising magnetic configurations indicate that high magnetic fields and high current density for magnet coil systems may reduce device size and lower the cost. High current density and radiation resistant fusion magnets are particularly beneficial for low cost, low aspect ratio compact reactor designs such as Fusion Nuclear Science Facility (FNSF), Fusion Pilot Plant (FPP) of low-aspect ratio spherical tokamak (ST) or compact stellarators. Unlike typical high field magnets for nuclear magnetic resonance (NMR), magnetic resonance imaging (MRI), or high energy physics research applications, neutron irradiation damage to organic insulations in the coil winding pack is a critical issue for next generation fusion reactors where orders of magnitude higher neutron fluence than those in present experimental reactors such as ITER are expected. Moreover, a high coil winding pack current density is needed for high field magnets in low cost, compact radial build next step fusion reactors. The slow current charging time, however, is an issue in fully non-insulated coils. In this work, we present the design, construction and testing of subscale Nb3Sn solenoids, up to half the diameter of the central solenoid (CS) for National Spherical Torus Experiment (NSTX), with and without inter-layer insulation for enhancing radiation resistance while improving the winding pack current density and coil performance. The major radius for the NSTX/NSTX-Upgrade (reference for compact ST) is 0.854/0.934 meter, and 4.8 meters for FNSF. The magnetic field for NSTX/NSTX-U at the plasma center is 0.6/1 Tesla and 9 Tesla for FNSF. The inner diameter of the central solenoid coil is 0.2/0.4 meter for NSTX/NSTX-U and 1.2 meters for FNSF. The current charging and discharging behavior of the prototype solenoids was investigated to quantify performance advantages of a simplified coil fabrication without error-prone vacuum pressure impregnation (VPI) for the removal of epoxy organic insulation. Scalability of the no insulation concept for fusion can be addressed via engineered coating for novel insulation on contact resistance or intra-layer no insulations. Radiation resistance and coil winding efficiency were significantly improved in the no insulation coils for next step compact fusion reactors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Retargetable Optimizing Compilers for Quantum Accelerators via a Multi-Level Intermediate Representation

In this work, we present a multi-level quantum-classical intermediate representation (IR) that enables an optimizing, retargetable compiler for available quantum languages. Our work builds upon the Multi-level Intermediate Representation (MLIR) framework and leverages its unique progressive lowering capabilities to map quantum languages to the LLVM machine-level IR. We provide both quantum and classical optimizations via the MLIR pattern rewriting sub-system and standard LLVM optimization passes, and demonstrate the programmability, compilation, and execution of our approach via standard benchmarks and test cases. In comparison to other standalone language and compiler efforts available today, our work results in compile times that are 1000x faster than standard Pythonic approaches, and 5-10x faster than comparative standalone quantum language compilers. Our compiler provides quantum resource optimizations via standard programming patterns that result in a 10x reduction in entangling operations, a common source of program noise. We see this work as a vehicle for rapid quantum compiler prototyping.

43 PARTICLE ACCELERATORS↗

Coupled social and infrastructure approaches for enhancing solar energy adoption. Final Report

The goal of this project was to work with rural electric cooperatives to facilitate the diffusion of solar energy adoption in households located in the rural and semi-urban areas of Virginia by identifying social and behavioral factors that might be unique to rural regions; and develop a model to calculate the solar adoption propensity score for household based on their demographics, social and behavioral characteristics which would provide an objective metric to cooperatives that can be further used to do targeted marketing of rooftop solar panels. This was achieved through the following tasks: (1) Conducted a survey of the members of Virginia electric cooperatives to identify demographic, social, financial and behavioral attributes of individuals who are likely to adopt rooftop solar panels. (2) Developed a highly detailed, data-driven, agent-based model of the population of Virginia, focusing on the rural regions. (3) Developed diffusion models that use social, behavioral, and demographic factors, and peer effects to study their impact on solar adoption in rural areas. (4) Built a prototype tool based on the diffusion model to help study market segmentation in rural areas and made it available to National Rural Electric Cooperative Association (NRECA). (5) Results and recommendations derived from the model were provided to NRECA to be shared with participating cooperatives. (6) Results were published in peer reviewed journals, conference proceedings and book chapters, and ideas disseminated through presentations and newsletters. There were several important methodological contributions made under this project which are detailed in the published papers, including: (1) Built a decision-adjusted model for predicting adoptors with imbalanced training data; (2) designed seeding strategies to maximize adoption given a fixed budget; (3) built a methodology to compare different agent based models; (4) created models to identify important factors that influence decision to adopt solar panels; and (5) built a methodology for building household profiles of solar generation to study the duck curve phenomenon. The team included members from the University of Virginia (lead), National Rural Electric Cooperative Association (NRECA), Arizona State University, Virginia Tech and Sandia National Laboratory. Note that no individual entity or stakeholder has incentive to promote solar in rural regions. Most of the research and work focuses around urban regions where the potential for growth in solar adoption is higher due to higher population density. This puts rural areas at a disadvantage. By improving the diffusion of solar adoption in rural parts of the country, we can not only provide clean energy to rural areas but also promote job growth and improves energy independence.

14 SOLAR ENERGY↗

Do Flashing and Sealant Materials Need to be Exposed to Extreme Cycling?

In the U.S., over 50% of homes were built before 1980, when minimal building codes existed. The aging of building envelopes can significantly contribute to the air leakage, moisture intrusion, and durability of buildings leading to higher energy demands. Although the durability of building materials and envelope systems has been studied extensively, the durability of specific components like window-wall flashing and sealants remains underexplored. Current standards such as ASTM, NIST, and AAMA primarily focus on durability testing considering the high temperatures only and require sealant testing on anodized aluminum panels, leaving questions about performance in cold or fluctuating temperatures unanswered. Current ASTM and AAMA standards provide guidelines for durability testing but predominantly focus on exposure to higher temperature conditions. It remains unclear how exposure to cold temperatures, or cycles of both hot and cold conditions, affect the durability of these materials. Furthermore, AAMA standards mandate that flashing materials be tested on anodized aluminum panels, which may not reflect real-world applications. Therefore, this initial study aims to explore this concern through testing by constructing two window-wall interface prototypes and applying five different flashing and sealant materials to their joints. These samples were subjected to extreme temperatures, ranging from −34 ℃ (−30 °F) to 50 ℃ (122 °F), over a 28-day period (fourteen cycles of 24 hours), with daily visual inspections to document any signs of deterioration such as wrinkling, distortion, or warping. The study has two main objectives: (1) to determine whether flashing and sealant materials lose their durability and strength when exposed to varying climate conditions, specifically cold climates, and (2) to assess whether the interaction of these materials with different substrates (e.g., lumber, PVC, insulation) affects their durability and strength under varying climate conditions. The findings demonstrate how aging impacts the durability of window-wall systems interfaces, justifying future research that potentially could lead to the development of new testing protocols if significant defects are identified.

Palani, Hevar [ORNL] (ORCID:0000000220211994)↗

The Development of Two Science Investigator-led Processing Systems (SIPS) for NASA's Earth Observation System (EOS)

In 2001, NASA Goddard Space Flight Center's Laboratory for Terrestrial Physics started the construction of a science Investigator-led Processing System (SIPS) for processing data from the Ozone Monitoring Instrument (OMI) which will launch on the Aura platform in mid 2004. The Ozone Monitoring Instrument (OMI) is a contribution of the Netherlands Agency for Aerospace Programs (NIVR) in collaboration with the Finnish Meteorological Institute (FMI) to the Earth Observing System (EOS) Aura mission. It will continue the Total Ozone Monitoring System (TOMS) record for total ozone and other atmospheric parameters related to ozone chemistry and climate. OMI measurements will be highly synergistic with the other instruments on the EOS Aura platform. The LTP previously developed the Moderate Resolution Imaging Spectrometer (MODIS) Data Processing System (MODAPS), which has been in full operations since the launches of the Terra and Aqua spacecrafts in December, 1999 and May, 2002 respectively. During that time, it has continually evolved to better support the needs of the MODIS team. We now run multiple instances of the system managing faster than real time reprocessings of the data as well as continuing forward processing. The new OMI Data Processing System (OMIDAPS) was adapted from the MODAPS. It will ingest raw data from the satellite ground station and process it to produce calibrated, geolocated higher level data products. These data products will be transmitted to the Goddard Distributed Active Archive Center (GDAAC) instance of the Earth Observing System (EOS) Data and Information System (EOSDIS) for long term archive and distribution to the public. The OMIDAPS will also provide data distribution to the OMI Science Team for quality assessment, algorithm improvement, calibration, etc. We have taken advantage of lessons learned from the MODIS experience and software already developed for MODIS. We made some changes in the hardware system organization, database and software to adapt the system for OMI. We replaced the fundamental database system, Sybase, with an Open Source RDBMS called PostgreSQL, and based the entire OMIDAPS on a cluster of Linux based commodity computers rather than the large SGI servers that MODAPS uses. Rather than relying on a central I/O server host, the new system distributes its data archive among multiple server hosts in the cluster. OMI is also customizing the graphical user interfaces and reporting structure to more closely meet the needs of the OMI Science Team. Prior to 2003, simulated OMI data and the science algorithms were not ready for production testing. We initially constructed a prototype system and tested using a 25 year dataset of Total Ozone Mapping Spectrometer (TOMS) and Solar Backscatter Ultraviolet Instrument (SBUV) data. This prototype system provided a platform to support the adaptation of the algorithms for OMI, and provided reprocessing of the historical data aiding in its analysis. In a recent reanalysis of the TOMS data, the OMIDAPS processed 108,000 full orbits of data through 4 processing steps per orbit, producing about 800,000 files (400 GiB) of level 2 and greater data files. More recently we have installed two instances of the OMIDAPS for integration and testing of OM1 science processes as they get delivered from the Science Team. A Test instance of the OMIDAPS has also supported a series of "Interface Confidence Tests" (ICTs) and End-to-End Ground System tests to ensure the launch readiness of the system. This paper will discuss the high-level hardware, software, and database organization of the OMIDAPS and how it builds on the MODAPS heritage system. It will also provide an overview of the testing and implementation of the production OMIDAPS.

Tilmes, Curt↗

Using neural networks to assist in OPAD data analysis

The space shuttle main engine (SSME) became the subject of plume emission spectroscopy in 1986 when researchers from NASA-Marshall Space Flight Center (MSFC), Arnold Engineering Development Center (AEDC), and Rocketdyne went to the SSME test stands at the NASA-Stennis Space Center and at Rocketdyne's Santa Susan Field Laboratory to optically observe the plume. Since then, plume spectral acquisitions have recorded many nominal tests and the qualitative spectral features of the SSME plume are now well established. Significant discoveries made with both wide-band and narrow-band plume emission spectroscopy systems led MSFC to promote the Optical Plume Anomaly Detection (OPAD) program with a goal of instrumenting all SSME test stands with customized spectrometer systems. A prototype OPAD system is now installed on the SSME Technology Test Bed (TTB) at MSFC. The OPAD system instrumentation consists of a broad-band, optical multiple-channel analyzer (OMA) and a narrow-band device called a polychrometer. The OMA is a high-resolution (1.5-2.0 Angstroms) 'super-spectrometer' covering the near-ultraviolet to near-infrared waveband (2800-7400 Angstroms), providing two scans per second. The polychrometer consists of sixteen narrow-band radiometers: fourteen monitoring discrete wavelengths of health and condition monitoring elements and two dedicated to monitoring background emissions. All sixteen channels are capable of providing 500 samples per second. To date, the prototype OPAD system has been used during 43 SSME firings on the TTB, collecting well over 250 megabytes of plume spectral data. One goal of OPAD data analysis is to determine interatively with the help of a computer code, SPECTRA4, developed at AEDC. Experience has shown that iteration with SPECTRA4 is an incredibly labor intensive task and not one to be performed by band. What is really needed is the 'inverse' of SPECTRA4 but the mathematical model for this inverse mapping is tenuous at best. However, the robustness of PSECTRA4 run in the 'forward' direction means that accurate input/output mappings can be obtained. If the mappings were inverted (i.e., input becomes output and output becomes input) then an 'inverse' of SPECTRA4 would be at hand but the 'model' would be specific to the data utilized and would in no way be general. Building a generalized model based upon known input/output mappings while ignoring the details of the governing physical model is possible through the use of a neural network. The research investigation described involves the development of a neural network to provide a generalized 'inverse' of SPECTRA4. The objectives of the research were to design an appropriate neural network architecture, train the network, and then evaluate its performance.

Whitaker, Kevin W.↗

Developing an Intelligent Computer-Aided Trainer

The Payload-assist module Deploys/Intelligent Computer-Aided Training (PD/ICAT) system was developed as a prototype for intelligent tutoring systems with the intention of seeing PD/ICAT evolve and produce a general ICAT architecture and development environment that can be adapted by a wide variety of training tasks. The proposed architecture is composed of a user interface, a domain expert, a training session manager, a trainee model and a training scenario generator. The PD/ICAT prototype was developed in the LISP environment. Although it has been well received by its peers and users, it could not be delivered toe its end users for practical use because of specific hardware and software constraints. To facilitate delivery of PD/ICAT to its users and to prepare for a more widely accepted development and delivery environment for future ICAT applications, we have ported this training system to a UNIX workstation and adopted use of a conventional language, C, and a C-based rule-based language, CLIPS. A rapid conversion of the PD/ICAT expert system to CLIPS was possible because the knowledge was basically represented as a forward chaining rule base. The resulting CLIPS rule base has been tested successfully in other ICATs as well. Therefore, the porting effort has proven to be a positive step toward our ultimate goal of building a general purpose ICAT development environment.

Hua, Grace↗

A Delay Tolerant Networking-Based Approach to a High Data Rate Architecture for Spacecraft

Historically, it has been the case that SWaP placed such severe constraints on radios that the links between spacecraft and the ground were relatively slow. This meant that the radio link was normally a significant bottleneck in returning scientific data. Over recent years, however, a combination of more efficient radio design, intelligent waveforms, and highly directed, high-frequency RF / optical systems have led to a rapid increase in the amount of data that can be pushed through radio and optical links. This has led to some cases where the radio links are capable of moving data much more quickly than the spacecraft and instruments are capable of actually generating it! In some instances, scientific data can therefore be lost not because the downlink is too slow to support the data rate, but instead because the spacecraft was not designed in a way that would let it fully utilize both the radio and the networking services available to it.The High Data Rate Architecture (HiDRA) project describes a packet-based approach to building modern, distributed spacecraft systems. It presents a means for spacecraft and other assets to participate in both present and future Delay Tolerant Networks (DTN), while simultaneously ensuring that the asset is able to fully utilize the new, high-speed links that have been seeing more widespread development and deployment in recent years. With this in mind, this paper begins with a discussion regarding HiDRA's evolution. Next, it discusses the capabilities and limitations of NASA's present DTN-enabled networks. Of particular note is the way in which principles of network design at the terrestrial level (e.g. use of programmable networks / software-defined networks, separation between data and control plane, infusion of COTS Ethernet switch chips, etc.) can all be translated into the space environment as well. After this, the paper discusses the design and implementation of a present prototype reference implementation of High-Rate DTN (HDTN), which is intended to demonstrate future high-rate networking concepts as part of a coherent demonstration on the International Space Station (ISS). The goal, of both the research and of this implementation, is to help develop a ready-made toolbox of ideas, approaches, and examples from which mission designers can draw when putting together new missions. Assuming all goes as planned, this should not only work to reduce the cost of individual mission design, but also improve the rate at which science data can be returned for mission participants to review.

Hylton, Alan↗

Design, characterization and control of the Unique Mobility Corporation robot

Space and mass are at a premium on any space mission, and thus any machinery designed for space use should be lightweight and compact, without sacrificing strength. It is for this reason that NASA/LeRC contracted Unique Mobility Corporation to exploit their novel actuator designs to build a robot that would advance the present state of technology with respect to these requirements. Custom-designed motors are the key feature of this robot. They are compact, high-performance dc brushless servo motors with a high pole count and low inductance, thus permitting high torque generation and rapid phase commutation. Using a custom-designed digital signal processor-based controller board, the pulse width modulation power amplifiers regulate the fast dynamics of the motor currents. In addition, the programmable digital signal processor (DSP) controller permits implementation of nonlinear compensation algorithms to account for motoring vs. regeneration, torque ripple, and back-EMF. As a result, the motors produce a high torque relative to their size and weight, and can do so with good torque regulation and acceptably high velocity saturation limits. This paper presents the Unique Mobility Corporation robot prototype: its actuators, its kinematic design, its control system, and its experimental characterization. Performance results, including saturation torques, saturation velocities and tracking accuracy tests are included.

Velasco, Virgilio B., Jr.↗

Optimal Synthesis of Compliant Mechanisms using Subdivision and Commercial FEA (DETC2004-57497)

The field of distributed-compliance mechanisms has seen significant work in developing suitable topology optimization tools for their design. These optimal design tools have grown out of the techniques of structural optimization. This paper will build on the previous work in topology optimization and compliant mechanism design by proposing an alternative design space parameterization through control points and adding another step to the process, that of subdivision. The control points allow a specific design to be represented as a solid model during the optimization process. The process of subdivision creates an additional number of control points that help smooth the surface (for example a C(sup 2) continuous surface depending on the method of subdivision chosen) creating a manufacturable design free of some traditional numerical instabilities. Note that these additional control points do not add to the number of design parameters. This alternative parameterization and description as a solid model effectively and completely separates the design variables from the analysis variables during the optimization procedure. The motivation behind this work is to create an automated design tool from task definition to functional prototype created on a CNC or rapid-prototype machine. This paper will describe the proposed compliant mechanism design process and will demonstrate the procedure on several examples common in the literature.

Hull, Patrick V.↗