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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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At least 37 records · Page 2

DeepDiagnostics: A Software Package for Streamlined Posterior Evaluation

Automated prediction techniques like simulation-based inference (SBI) are important tasks for science experiments that produce large amounts of complex, raw data. However, their development remains in its early stages because the uncertainties of these techniques lack sufficient trustworthiness and interpretability. Packages for SBI provide a growing set of diagnostics; however, the software requirements are substantial, as they are tied to the inference technology itself, and the APIs lack adaptability. We introduce the DeepDiagnostics package for diagnosing posteriors from analytic likelihood-based methods and SBI methods, such as neural posterior estimation. DeepDiagnostics produces a comprehensive set of high-quality visualizations and metrics in a highly accessible, easy-to-use, and flexible package. We address all of these goals by providing a command-line inference tool and a Python API that is controlled through a configuration file. The package includes common diagnostics, such as parity plots, corner (covariance) plots, simulation-based calibration (SBC) diagnostics (including posterior coverage and rank histograms), Lemos et al. s PQMass and TARP, Masserano et al. s WALDO, Linhart et al. s LC2ST, as well as credible region diagnostics developed by our group.

Voetberg, Maggie [Fermilab]↗

xesn: Echo state networks powered by Xarray and Dask

Xesn is a Python package that allows scientists to easily design Echo State Networks (ESNs) for forecasting problems. ESNs are a Recurrent Neural Network architecture introduced by Jaeger (2001) that are part of a class of techniques termed Reservoir Computing. One defining characteristic of these techniques is that all internal weights are determined by a handful of global, scalar parameters, thereby avoiding problems during backpropagation and reducing training time significantly. Because this architecture is conceptually simple, many scientists implement ESNs from scratch, leading to questions about computational performance. Xesn offers a straightforward, standard implementation of ESNs that operates efficiently on CPU and GPU hardware. The package leverages optimization tools to automate the parameter selection process, so that scientists can reduce the time finding a good architecture and focus on using ESNs for their domain application. Importantly, the package flexibly handles forecasting tasks for out-of-core, multi-dimensional datasets, eliminating the need to write parallel programming code. Xesn was initially developed to handle the problem of forecasting weather dynamics, and so it integrates naturally with Python packages that have become familiar to weather and climate scientists such as Xarray (Hoyer & Hamman, 2017). However, the software is ultimately general enough to be utilized in other domains where ESNs have been useful, such as in signal processing (Jaeger & Haas, 2004).

97 MATHEMATICS AND COMPUTING↗

PyCDFT: A Python package for constrained density functional theory

In this paper, we present PyCDFT, a Python package to compute diabatic states using constrained density functional theory (CDFT). PyCDFT provides an object-oriented, customizable implementation of CDFT, and allows for both single-point self-consistent-field calculations and geometry optimizations. PyCDFT is designed to interface with existing density functional theory (DFT) codes to perform CDFT calculations where constraint potentials are added to the Kohn–Sham Hamiltonian. Here, we demonstrate the use of PyCDFT by performing calculations with a massively parallel first-principles molecular dynamics code, Qbox, and we benchmark its accuracy by computing the electronic coupling between diabatic states for a set of organic molecules. We show that PyCDFT yields results in agreement with existing implementations and is a robust and flexible package for performing CDFT calculations. The program is available at https://dx.doi.org/10.5281/zenodo.3821097.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Additive Manufacturing with Cellulose-Based Composites: Materials, Modeling, and Applications

Recent advances in large-scale additive manufacturing (AM) with polymer-based composites have enabled efficient production of high-performance materials. Cellulose nanomaterials (CNMs) have emerged as bio-based feedstocks due to their exceptional strength and sustainability. However, challenges such as hornification and poor dispersion in polymer matrices still limit large-scale CNM–polymer composite manufacturing, requiring novel strategies. Here, this review outlines an approach starting with atomic-level simulations to link molecular composition to key parameters like bulk density, viscosity, and modulus. These simulations provide data for finite element analysis (FEA), which informs large-scale experiments and reduces the need for extensive trials. The strategy explores how atomic interactions impact the morphology, adhesion, and mechanical properties of CNM-based composites in AM processes. The review also discusses current developments in AM, along with predictions of mechanical and thermal properties for structural applications, packaging, flexible electronics, and hydrogel scaffolds. By integrating experimental findings with molecular dynamics (MD) simulations and finite element modeling (FEM), valuable insights for material design, process optimization, and performance enhancement in CNM-based AM are provided to address ongoing challenges.

36 MATERIALS SCIENCE↗

Biodegradable High-Molecular-Weight Poly(pentylene adipate- co -terephthalate): Synthesis, Thermo-Mechanical Properties, Microstructures, and Biodegradation

Poly(pentylene adipate-co-terephthalate) (PPAT) is a promising biobased and biodegradable polymer that can replace polyethylene in flexible packaging films where biodegradability is desired. High-molecular-weight (100K–145 KDa) aliphatic–aromatic polyester PPAT was successfully synthesized, and the effects of reaction conditions on molecular weight were reported. PPAT polyesters were characterized for polymer compositions, number-average unit length, thermal transitions, and rheological properties. PPAT compression-molded films were characterized for crystallinity and tensile properties to correlate micro- and macroproperties. PPAT compression-molded films exhibited up to a 76% higher tensile modulus than compression-molded films from poly(butylene adipate-co-terephthalate) (PBAT), making PPAT films potentially comparable with compression-molded films from linear low-density polyethylene (LLDPE). Finally, PPAT is biodegradable in soil and freshwater environments with estimated 90% biodegradation times of 504–580 and 604–845 days, respectively, while PBAT takes 971 days in soil and 395 days in freshwater.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

BioSTEAMDevelopmentGroup/biosteam

BioSTEAM is a fast and flexible package for the design, simulation, and techno-economic analysis of biorefineries under uncertainty. BioSTEAM’s framework is built to streamline and automate early-stage technology evaluations and to enable rigorous sensitivity and uncertainty analyses. Complete biorefinery configurations are available at the Bioindustrial-Park GitHub repository, BioSTEAM’s premier repository for biorefinery models and results. The long-term growth and maintenance of BioSTEAM is supported through both community-led development and the research institutions invested in BioSTEAM. Through the open-source and community-lead platform, BioSTEAM aims to foster communication and transparency within the biorefinery research community for an integrated effort to expedite the evaluation of candidate biofuels and bioproducts. Additionally, an agile life cycle assessment (LCA) platform has been designed to interface with BioSTEAM, BioSTEAM-LCA. This open-source, installable package allows users to perform streamlined LCAs of biorefineries. The focus of BioSTEAM-LCA is to streamline and automate early-stage environmental impact analyses of processes and technologies, and to enable rigorous sensitivity and uncertainty analyses linking process design, performance, economics, and environmental impacts.

Cortes-Peña, Yoel↗

Designing Recyclable Biomass-Based Polyesters (Final Technical Report)

This project successfully demonstrated the production of sustainable polyesters from biomass-derived monomers, offering properties on par with or superior to fossil-based plastics such as LLDPE and PBAT. Using renewable chemical platforms like furfural and HMF, we synthesized over eight novel monomers and nearly 100 aliphatic-aromatic polyesters. Among these, PPeAT and PDDF emerged as highly promising candidates for flexible packaging applications, exhibiting excellent mechanical performance, tunable thermal properties, and enhanced barrier characteristics. Key advances included the development of ring-opening polymerization strategies using cyclic monomer intermediates to produce high molecular weight materials with excellent control. The resulting polymers achieved biobased content of at least 44 wt.%. We also implemented chemical recycling via catalytic methanolysis, recovering over 90% of monomers from PPeAT at semi-pilot scale. This supports a circular economy approach by enabling material reuse without performance loss. Techno-economic and life cycle assessments confirmed that these polyesters can reduce greenhouse gas emissions by up to 50% compared to petroleum-derived alternatives. Favorable mechanical properties may further reduce material demand, and cost competitiveness was demonstrated under specific market conditions. Feedstock cost and environmental footprint were identified as primary levers for future optimization. In summary, the project met or closely approached all technical targets, including biodegradability, strength, and processing compatibility. While minor issues such as color and melting point variation remain, the results strongly support continued development and scale-up of these sustainable materials.

09 BIOMASS FUELS↗

Generalized plotting and contouring package

PLOTPAK is complete general purpose plotting and contouring package. Flexible and easy-to-use system, it produces line-printer, television-screen, and DICOMED plots. Plots, from quick and simple to complex and sophisticated, can be generated with only basic knowledge of FORTRAN and PLOTPAK commands.

Rubin, D.↗

Circuit protection devices for transient suppression

The Electromer Corporation has developed a series of transient voltage suppression components based on a patented, specially formulated PolyClamp (trademark) material. PolyClamp components are a new class of transient voltage surge suppressors that extend the range of protection offered by transients protectors. The PolyClamp transient surge suppressors provide low capacitance, high energy capability, and packaging flexibility. A wide variety of applications can be protected. A tube and ferrule configuration was designed to be used with MIL/Aerospace style connectors and is designed to meet the applicable environmental, mechanical, and electrical requirements as defined by the United States and European defence standards performance requirements. Here, PolyClamp is compared with current transient surge suppressors. Typical performance and design are discussed.

Childers, Richard↗

Numerical aperture limits on efficient ball lens coupling of laser diodes to single-mode fibers with defocus to balance spherical aberration

The potential capabilities and limitations of single ball lenses for coupling laser diode radiation to single-mode optical fibers have been analyzed; parameters important to optical communications were specifically considered. These parameters included coupling efficiency, effective numerical apertures, lens radius, lens refractive index, wavelength, magnification in imaging the laser diode on the fiber, and defocus to counterbalance spherical aberration of the lens. Limiting numerical apertures in object and image space were determined under the constraint that the lens perform to the Rayleigh criterion of 0.25-wavelength (Strehl ratio = 0.80). The spherical aberration-defocus balance to provide an optical path difference of 0.25 wavelength units was shown to define a constant coupling efficiency (i.e., 0.56). The relative numerical aperture capabilities of the ball lens were determined for a set of wavelengths and associated fiber-core diameters of particular interest for single-mode fiber-optic communication. The results support general continuing efforts in the optical fiber communications industry to improve coupling links within such systems with emphasis on manufacturing simplicity, system packaging flexibility, relaxation of assembly alignment tolerances, cost reduction of opto-electronic components and long term reliability and stability.

Wilson, R. Gale↗

Meals for the Elderly

The aim of Skylab's multi-agency cooperative project was to make simple but nutritious space meals available to handicapped and otherwise homebound senior adults, unable to take advantage of existing meal programs sponsored by federal, state and private organizations. As a spinoff of Meal Systems for the Elderly, commercial food processing firms are now producing astronaut type meals for public distribution. Company offers variety of freeze dried foods which are reconstituted by addition of water, and "retort pouch" meals which need no reconstitution, only heating. The retort pouch is an innovative flexible package that combines the advantage of boil-in bag and metal can. Foods retain their flavor, minerals and vitamins can be stored without refrigeration and are lightweight for easy transportation.

Source record↗

Spacesuit Data Display and Management System

A prototype embedded avionics system has been designed for the next generation of NASA extra-vehicular-activity (EVA) spacesuits. The system performs biomedical and other sensor monitoring, image capture, data display, and data transmission. An existing NASA Phase I and II award winning design for an embedded computing system (ZIN vMetrics - BioWATCH) has been modified. The unit has a reliable, compact form factor with flexible packaging options. These innovations are significant, because current state-of-the-art EVA spacesuits do not provide capability for data displays or embedded data acquisition and management. The Phase 1 effort achieved Technology Readiness Level 4 (high fidelity breadboard demonstration). The breadboard uses a commercial-grade field-programmable gate array (FPGA) with embedded processor core that can be upgraded to a space-rated device for future revisions.

Hall, David G.↗

Instrumentation for the Characterization of Inflatable Structures

Current entry, descent, and landing technologies are not practical for heavy payloads due to mass and volume constraints dictated by limitations imposed by launch vehicle fairings. Therefore, new technologies are now being explored to provide a mass- and volume-efficient solution for heavy payload capabilities, including Inflatable Aerodynamic Decelerators (IAD) [1]. Consideration of IADs for space applications has prompted the development of instrumentation systems for integration with flexible structures to characterize system response to flight-like environment testing. This development opportunity faces many challenges specific to inflatable structures in extreme environments, including but not limited to physical flexibility, packaging, temperature, structural integration and data acquisition [2]. In the spring of 2012, two large scale Hypersonic Inflatable Aerodynamic Decelerators (HIAD) will be tested in the National Full-Scale Aerodynamics Complex s 40 by 80 wind tunnel at NASA Ames Research Center. The test series will characterize the performance of a 3.0 m and 6.0 m HIAD at various angles of attack and levels of inflation during flight-like loading. To analyze the performance of these inflatable test articles as they undergo aerodynamic loading, many instrumentation systems have been researched and developed. These systems will utilize new experimental sensing systems developed by the HIAD ground test campaign instrumentation team, in addition to traditional wind tunnel sensing techniques in an effort to improve test article characterization and model validation. During the 2012 test series the instrumentation systems will target inflatable aeroshell static and dynamic deformation, structural strap loading, surface pressure distribution, localized skin deflection, and torus inflation pressure. This paper will offer an overview of inflatable structure instrumentation, and provide detail into the design and implementation of the sensors systems that will be utilized during the 2012 HIAD ground test campaign.

Swanson, Gregory T.↗

The Challenges of Integrating Instrumentation with Inflatable Aerodynamic Decelerators

To realize the National Aeronautics and Space Administration s (NASA) goal of landing humans on Mars, development of technologies to facilitate the landing of heavy payloads are being explored. Current entry, decent, and landing technologies are not practical when utilizing these heavy payloads due to mass and volume constraints dictated by limitations imposed by current launch vehicle fairings. Therefore, past and present technologies are now being considered to provide a mass and volume efficient solution, including Inflatable Aerodynamic Decelerators (IADs) [1]. IAD ground and flight tests are currently being conducted to develop and characterize their performance under flight-like conditions. The integrated instrumentation systems, which are key to the performance characterization in each of these tests, have proven to be a challenge compared to the instrumentation of traditional rigid aeroshells. To overcome these challenges, flexible and embedded sensing systems have been developed, along with improved instrumenting techniques. This development opportunity faces many difficult aspects specific to inflatable structures in extreme environments. These include but are not limited to: physical flexibility, packaging, temperature, structural integration and data acquisition [2]. To better define the instrumentation challenges posed by IAD technology development, a survey was conducted to identify valuable measurements for ground and flight testing. From this survey many sensing technologies were explored, resulting in a down-selection to the most viable prospects. These systems were then iterated upon in design to determine the best integration techniques specific to a 3m and 6m stacked torus IAD. Each sensing system was then integrated and employed to support the IAD testing in the National Full-Scale Aerodynamics Complex 40 x 80 wind tunnel at NASA Ames Research Center in the summer of 2012. Another challenge that has been explored is the data acquisition of IAD sensing technologies. Traditionally all space based sensing systems transmit their data through a wired interface. This limits the amount of sensors able to be integrated within the IAD due to volume and routing restrictions of the supporting signal and excitation wires. To alleviate this situation, multiple wireless data acquisition technologies have been researched and developed through rapid prototyping efforts. The final custom multi-nodal wireless system utilized during the summer 2012 IAD test series consisted of four remote nodes and one receiving base station. The system reliably conditioned and acquired 20+ sensors over the course of the wind tunnel test series. These developments in wireless data acquisition techniques can eliminate the need for structural feedthroughs and reduce system mass associated with wiring and wire harnesses. This makes the utilization of flight instrumentation more attractive to future missions, which would result in further improved characterization of IAD technology, and overall, increased scientific knowledge regarding the response of inflatable structures to extreme entry environments. [

Swanson, Gregory T.↗

Advanced Sensor Platform to Evaluate Manloads For Exploration Suit Architectures

Space suit manloads are defined as the outer bounds of force that the human occupant of a suit is able to exert onto the suit during motion. They are defined on a suit-component basis as a unit of maximum force that the suit component in question must withstand without failure. Existing legacy manloads requirements are specific to the suit architecture of the EMU and were developed in an iterative fashion; however, future exploration needs dictate a new suit architecture with bearings, load paths, and entry capability not previously used in any flight suit. No capability currently exists to easily evaluate manloads imparted by a suited occupant, which would be required to develop requirements for a flight-rated design. However, sensor technology has now progressed to the point where an easily-deployable, repeatable and flexible manloads measuring technique could be developed leveraging recent advances in sensor technology. INNOVATION: This development positively impacts schedule, cost and safety risk associated with new suit exploration architectures. For a final flight design, a comprehensive and accurate man loads requirements set must be communicated to the contractor; failing that, a suit design which does not meet necessary manloads limits is prone to failure during testing or worse, during an EVA, which could cause catastrophic failure of the pressure garment posing risk to the crew. This work facilitates a viable means of developing manloads requirements using a range of human sizes & strengths. OUTCOME / RESULTS: Performed sensor market research. Highlighted three viable options (primary, secondary, and flexible packaging option). Designed/fabricated custom bracket to evaluate primary option on a single suit axial. Manned suited manload testing completed and general approach verified.

McFarland, Shane↗

Packages of Distributed Energy Technologies Demonstrating Demand Flexibility at Community Scale

The combination of increased electric load growth across all sectors, deferred electrical infrastructure investment, and other factors resulting in variable electric power supply, has created technical challenges to maintaining a resilient and reliable grid. Many federal, regional, and local efforts are in play to modernize the electric grid, including advancing building technologies and distributed energy resources (DERs) that are utilizing smarter controls to become responsive to both occupant and grid needs. This report reviews ten pilot projects demonstrating how groups of buildings combined with behind-the-meter (BTM) DERs such as electric vehicle (EV) charging, battery storage, flexible HVAC and domestic hot water systems, and photovoltaic systems can reliably and cost effectively provide grid services. Each of the ten pilot projects aim to deliver both energy efficiency and demand flexibility (DF) while supporting load growth. The ten demonstration teams are piloting flexible DER packages across diverse communities of residential and commercial buildings to address a variety of regional grid needs. The outcomes of these pilot projects will be used to inform future scaling through utility program development. This paper characterizes the ten teams, showcasing the decision-making process used by each group to develop their packages (Section 2), the grid services they plan to deliver (Section 3), the types of DER packages selected for deployment within building sectors (Section 4) and trends between building sector, DER types, and grid services In order to achieve community scale benefits, the pilot projects must utilize aggregated control mechanisms for coordinating buildings and DERs together. Several types of coordinated control architectures have evolved amongst the teams, influenced by use type, existing market conditions, and integration type. Three coordinated controls architectures have been characterized, highlighting their use cases, benefits, challenges, and tradeoffs in their design. These insights can aid utilities, control vendors, and developers in scaling community-level energy systems (Paul, 2024). Ultimately, the technology packages selected by the ten teams will be coordinated to provide power system services, also known as grid services. Insights from these demonstrations will be useful for grid operators, regulators, aggregators and other stakeholders as they look to deploy demand flexible resources as grid services in the future. The grid services that each team is targeting for demonstration are described in Section 3 and Section 4. Methods for evaluating the grid services have been described in the paper Metrics for Evaluating Grid Service Provision from Communities of Grid-interactive and Efficient Buildings and other DER (MacDonald, 2023). To identify technology packages for demonstration, Section 2 shows that project teams used a range of analysis approaches, including building energy modeling, AMI data analysis, cost-benefit frameworks, and utility pilot data. Some teams emphasized technical modeling to quantify grid impacts and demand reduction potential, while others prioritized economic evaluations, stakeholder input, or exploratory pilots to inform deployment decisions. This diversity reflects the need to tailor selection methods to project goals, available data, and organizational context. Section 5 discusses trends between the DER technologies deployed and the grid service provisions from each team. Residential buildings (multifamily and single family) lean towards technologies that enhance energy efficiency (e.g. weatherization upgrades, smart thermostats) and onsite power generation integration (e.g. solar PV). Commercial building demonstrations prioritize technologies that ensure operational reliability (e.g. battery storage) and centralized energy management systems and optimization solutions. Teams that are deploying controllable storage-based technologies are more likely to provide grid services that require a near real-time response. Teams incorporating load shifting technologies like smart thermostats with HEMs are likely to include energy markets participation and customer bill management offerings. Campus demonstrations are adopting diverse sets of DERs to emphasize renewable generation, paired with centralized control. This section also describes technologies that were considered during project planning but ultimately excluded from final deployment. These demonstrations reveal that effective DER package design should be tailored to building type, customer segment, and construction vintage. Multifamily buildings benefit from centralized HVAC upgrades and supervisory controls, while single-family homes are well-suited for individualized technologies like solar, storage, and smart home energy monitors. Commercial and campus settings prioritize EMIS integration and load optimization. New construction enables cost-effective integration of DER-ready infrastructure, whereas retrofits require deployments aligned with owner and tenant value streams. For utility program planners, early coordination with developers and building owners, paired with segmented and modular program offerings, can improve adoption, scalability, and grid impact.

24 POWER TRANSMISSION AND DISTRIBUTION↗

PLATSIM: A Simulation and Analysis Package for Large-Order Flexible Systems

The software package PLATSIM provides efficient time and frequency domain analysis of large-order generic space platforms. PLATSIM can perform open-loop analysis or closed-loop analysis with linear or nonlinear control system models. PLATSIM exploits the particular form of sparsity of the plant matrices for very efficient linear and nonlinear time domain analysis, as well as frequency domain analysis. A new, original algorithm for the efficient computation of open-loop and closed-loop frequency response functions for large-order systems has been developed and is implemented within the package. Furthermore, a novel and efficient jitter analysis routine which determines jitter and stability values from time simulations in a very efficient manner has been developed and is incorporated in the PLATSIM package. In the time domain analysis, PLATSIM simulates the response of the space platform to disturbances and calculates the jitter and stability values from the response time histories. In the frequency domain analysis, PLATSIM calculates frequency response function matrices and provides the corresponding Bode plots. The PLATSIM software package is written in MATLAB script language. A graphical user interface is developed in the package to provide convenient access to its various features.

Maghami, Peiman G.↗