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Results for “Design, synthesis and processing”

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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Selectivity mechanisms of ion intercalation in Prussian blue analogs

Prussian blue analogs (PBAs) are a family of materials with facile, reversible, and selective ion transport capability for various ions via electrochemical intercalation, owing to their vacancy structure. The large tunable compositional space of PBAs allows for manipulation of intercalation behavior and selectivity by controlling structural vacancy level through choice of transition metal centers and modifications to the synthesis process. However, a lack of understanding of the mechanisms of ion selectivity hinders the material’s design process. Here, for this work, we investigated the origins of ion selectivity using a model PBA, copper hexacyanoferrate, and focused on eight technologically and biologically prominent ions, for which we determined a sequence of selectivity: Rb + > K + > Na + > Ba 2+ > Sr 2+ ≈ Ca 2+ > Mg 2+ > Li + . We provide electrochemical, structural, and redox evidence of strong correlation between the ion identity, the dominant charge-compensating redox, and preferred occupancy site. Specifically, using synchrotron anomalous X-ray diffraction (AXRD), we reveal that monovalent ions exhibit significant association with the corner sites of the unit cell and iron redox, whereas divalent ions display affinity toward the center site with higher ratios of copper redox. Informed by selectivity results, we applied CuHCFe to Li purification and achieved 99.9% purity. Our findings demonstrate an approach to elucidating ion intercalation behavior in order to distinguish and manipulate material properties to optimize separation performance.

Prussian blue analog↗
NASA NTRS1996

Potential Commercial Applications from Combustion and Fire Research in Space

The near-zero (microgravity) environment of orbiting spacecraft minimizes buoyant flows, greatly simplifying combustion processes and isolating important phenomena ordinarily concealed by the overwhelming gravity-driven forces and flows. Fundamental combustion understanding - the focus to date of the NASA microgravity-combustion program - has greatly benefited from analyses and experiments conducted in the microgravity environment. Because of the economic and commercial importance of combustion in practice, there is strong motivation to seek wider applications for the microgravity-combustion findings. This paper reviews selected technology developments to illustrate some emerging applications. Topics cover improved fire-safety technology in spacecraft and terrestrial systems, innovative combustor designs for aerospace and ground propulsion, applied sensors and controls for combustion processes, and self-sustaining synthesis techniques for advanced materials.

Friedman, Robert↗
NASA NTRS1996

Overview of Microgravity Combustion Research at NASA Lewis Research Center and its Potential Commercial Impact

The near-zero (microgravity) environment of orbiting spacecraft minimizes buoyant flows, greatly simplifying combustion processes and isolating important phenomena ordinarily concealed by the overwhelming gravity-driven forces and flows. Fundamental combustion understanding has greatly benefited from analyses and experiments conducted in the microgravity environment. Because of the economic and commercial importance of combustion in practice, there is strong motivation to seek wider applications for the microgravity-combustion findings. This paper reviews selected technology developments to illustrate some emerging applications. Topics cover improved fire-safety technology in spacecraft and terrestrial systems, innovative combustor designs for aerospace and ground propulsion, applied sensors and controls for combustion processes, and self-sustaining synthesis techniques for advanced materials.

Lyons, Valerie↗
NASA NTRS1998

Information Systems for NASA's Aeronautics and Space Enterprises

The aerospace industry is being challenged to reduce costs and development time as well as utilize new technologies to improve product performance. Information technology (IT) is the key to providing revolutionary solutions to the challenges posed by the increasing complexity of NASA's aeronautics and space missions and the sophisticated nature of the systems that enable them. The NASA Ames vision is to develop technologies enabling the information age, expanding the frontiers of knowledge for aeronautics and space, improving America's competitive position, and inspiring future generations. Ames' missions to accomplish that vision include: 1) performing research to support the American aviation community through the unique integration of computation, experimentation, simulation and flight testing, 2) studying the health of our planet, understanding living systems in space and the origins of the universe, developing technologies for space flight, and 3) to research, develop and deliver information technologies and applications. Information technology may be defined as the use of advance computing systems to generate data, analyze data, transform data into knowledge and to use as an aid in the decision-making process. The knowledge from transformed data can be displayed in visual, virtual and multimedia environments. The decision-making process can be fully autonomous or aided by a cognitive processes, i.e., computational aids designed to leverage human capacities. IT Systems can learn as they go, developing the capability to make decisions or aid the decision making process on the basis of experiences gained using limited data inputs. In the future, information systems will be used to aid space mission synthesis, virtual aerospace system design, aid damaged aircraft during landing, perform robotic surgery, and monitor the health and status of spacecraft and planetary probes. NASA Ames through the Center of Excellence for Information Technology Office is leading the effort in pursuit of revolutionary, IT-based approaches to satisfying NASA's aeronautics and space requirements. The objective of the effort is to incorporate information technologies within each of the Agency's four Enterprises, i.e., Aeronautics and Space Transportation Technology, Earth, Science, Human Exploration and Development of Space and Space Sciences. The end results of these efforts for Enterprise programs and projects should be reduced cost, enhanced mission capability and expedited mission completion.

Kutler, Paul↗
NASA NTRS1990

Synthesizing information-update functions using off-line symbolic processing

This paper explores the synthesis of programs that track dynamic conditions in their environment. An approach is proposed in which the designer specifies, in a declarative language, aspects of the environment in which the program will be embedded. This specification is then automatically compiled into a program that, when executed, updates internal data structures so as to maintain as an invariant a desired correspondence between internal data structures and states of the external environment. This approach retains much of the flexibility of declarative programming while guaranteeing a hard bound on the execution time of information-update functions.

Rosenschein, Stanley J.↗
DOE OSTI2025

Computer-aided design of stability enhanced nicotinamide cofactor biomimetics for cell-free biocatalysis

Cell-free biocatalysis (CFB) is an efficient and environmentally friendly method to synthesize molecules such as pharmaceuticals, biochemicals, and biofuels through the in vitro use of enzyme cascades. These enzymes often require redox cofactors to drive chemical reactions. Natural redox cofactors (NAD(P)H) are expensive to isolate, motivating synthetic nicotinamide cofactor biomimetics (NCBs) as a cost-effective solution. A select handful of NCBs have been identified as potential NAD(P)H alternatives with comparable or improved redox capabilities, however, they display a tendency to degrade in common buffers. In this study, a library of 132 NCB candidates is systematically generated, over 85% of which have not been characterized in the literature, to expand the diversity of currently explored NCBs. The decomposition mechanism of NCBs in phosphate is evaluated using density functional theory (DFT), revealing protonation at the nicotinamide C5 position as a reporter of cofactor stability. Based on this result, we trained a linear regression model on DFT calculated descriptors to predict NCB stability in phosphate buffer, achieving mean absolute error (MAE) and root mean squared error (RMSE) values within computational accuracy. Analysis of key atomic descriptors and qualitative trends in our dataset informed the design of novel NCB candidates we propose with optimized stability. This work enables researchers to predict the relative stability of NCBs before synthesis, thereby streamlining the process to make CFB more affordable and viable at industry scales.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Selective Electrochemical End‐Group Removal Enhances Polymer Thermal Stability

Here we introduce an electrochemical strategy for the selective and quantitative removal of thiocarbonylthio end groups from polymers prepared by reversible addition–fragmentation chain transfer (RAFT) or photoiniferter polymerization. Our results indicate that applying a cathodic potential in an undivided cell promotes reductive cleavage of the thiocarbonylthio moiety, generating terminal polymer radicals that are efficiently capped with hydrogen atoms in the presence of benign donors. This transformation proceeds cleanly across diverse polymer backbones and end-group chemistries, including trithiocarbonates and dithiobenzoates, without chain coupling or degradation. Moreover, the applied potential can be tuned to enable chemoselective end-group removal in mixed-polymer systems, a level of control inaccessible by thermal, photochemical, or nucleophilic strategies. Beyond delivering colorless and optically transparent materials, electrochemical end-group removal significantly enhances polymer stability. Poly(methyl methacrylate) subjected to electrochemical end-group removal exhibited a T 95 of 342 °C, exceeding the stabilities of analogous polymers with end groups removed by aminolysis (T 95 = 260 °C) or radical-based methods (T 95 = 299 °C). These findings demonstrate redox-directed post-polymerization modification as a tool for designing robust, transparent, and thermally stable macromolecules and establish electrochemistry as a platform strategy in polymer synthesis and processing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

Extended H2 synthesis for multiple degree-of-freedom controllers

H2 synthesis techniques are developed for a general multiple-input-multiple-output (MIMO) system subject to both stochastic and deterministic disturbances. The H2 synthesis is extended by incorporation of anticipated disturbances power-spectral-density information into the controller-design process, as well as by frequency weightings of generalized coordinates and control inputs. The methodology is applied to a simple single-input-multiple-output (SIMO) problem, analogous to the type of vibration isolation problem anticipated in microgravity research experiments.

Hampton, R. David↗
NASA NTRS1996

Improving Conceptual Design for Launch Vehicles

This report summarizes activities performed during the second year of a three year cooperative agreement between NASA - Langley Research Center and Georgia Tech. Year 1 of the project resulted in the creation of a new Cost and Business Assessment Model (CABAM) for estimating the economic performance of advanced reusable launch vehicles including non-recurring costs, recurring costs, and revenue. The current year (second year) activities were focused on the evaluation of automated, collaborative design frameworks (computation architectures or computational frameworks) for automating the design process in advanced space vehicle design. Consistent with NASA's new thrust area in developing and understanding Intelligent Synthesis Environments (ISE), the goals of this year's research efforts were to develop and apply computer integration techniques and near-term computational frameworks for conducting advanced space vehicle design. NASA - Langley (VAB) has taken a lead role in developing a web-based computing architectures within which the designer can interact with disciplinary analysis tools through a flexible web interface. The advantages of this approach are, 1) flexible access to the designer interface through a simple web browser (e.g. Netscape Navigator), 2) ability to include existing 'legacy' codes, and 3) ability to include distributed analysis tools running on remote computers. To date, VAB's internal emphasis has been on developing this test system for the planetary entry mission under the joint Integrated Design System (IDS) program with NASA - Ames and JPL. Georgia Tech's complementary goals this year were to: 1) Examine an alternate 'custom' computational architecture for the three-discipline IDS planetary entry problem to assess the advantages and disadvantages relative to the web-based approach.and 2) Develop and examine a web-based interface and framework for a typical launch vehicle design problem.

John R. Olds↗
NASA NTRS1999

The Design of Future Airbreathing Engine Systems within an Intelligent Synthesis Environment

This paper describes a new Initiative proposed by the National Aeronautics and Space Administration (NASA). The purpose of this initiative is to develop a future design environment for engineering and science mission synthesis for use by NASA scientists and engineers. This new initiative is called the Intelligent Synthesis Environment (ISE). The paper describes the mission of NASA, future aerospace system characteristics, the current engineering design process, the ISE concept, and concludes with a description of possible ISE applications for the decision of air-breathing propulsion systems.

Malone, J. B.↗
NASA NTRS1994

Cell Libraries

A NASA contract led to the development of faster and more energy efficient semiconductor materials for digital integrated circuits. Gallium arsenide (GaAs) conducts electrons 4-6 times faster than silicon and uses less power at frequencies above 100-150 megahertz. However, the material is expensive, brittle, fragile and has lacked computer automated engineering tools to solve this problem. Systems & Processes Engineering Corporation (SPEC) developed a series of GaAs cell libraries for cell layout, design rule checking, logic synthesis, placement and routing, simulation and chip assembly. The system is marketed by Compare Design Automation.

Source record↗
NASA NTRS2002

Fundamental Studies of Crystal Growth of Microporous Materials

Microporous materials are framework structures with well-defined porosity, often of molecular dimensions. Zeolites contain aluminum and silicon atoms in their framework and are the most extensively studied amongst all microporous materials. Framework structures with P, Ga, Fe, Co, Zn, B, Ti and a host of other elements have also been made. Typical synthesis of microporous materials involve mixing the framework elements (or compounds, thereof) in a basic solution, followed by aging in some cases and then heating at elevated temperatures. This process is termed hydrothermal synthesis, and involves complex chemical and physical changes. Because of a limited understanding of this process, most synthesis advancements happen by a trial and error approach. There is considerable interest in understanding the synthesis process at a molecular level with the expectation that eventually new framework structures will be built by design. The basic issues in the microporous materials crystallization process include: (1) Nature of the molecular units responsible for the crystal nuclei formation; (2) Nature of the nuclei and nucleation process; (3) Growth process of the nuclei into crystal; (4) Morphological control and size of the resulting crystal; (5) Surface structure of the resulting crystals; (6) Transformation of frameworks into other frameworks or condensed structures. The NASA-funded research described in this report focuses to varying degrees on all of the above issues and has been described in several publications. Following is the presentation of the highlights of our current research program. The report is divided into five sections: (1) Fundamental aspects of the crystal growth process; (2) Morphological and Surface properties of crystals; (3) Crystal dissolution and transformations; (4) Modeling of Crystal Growth; (5) Relevant Microgravity Experiments.

Dutta, P.↗
NASA NTRS2003

Fundamental Studies of Crystal Growth of Microporous Materials

Microporous materials are framework structures with well-defined porosity, often of molecular dimensions. Zeolites contain aluminum and silicon atoms in their framework and are the most extensively studied amongst all microporous materials. Framework structures with P, Ga, Fe, Co, Zn, B, Ti and a host of other elements have also been made. Typical synthesis of microporous materials involve mixing the framework elements (or compounds, thereof) in a basic solution, followed by aging in some cases and then heating at elevated temperatures. This process is termed hydrothermal synthesis, and involves complex chemical and physical changes. Because of a limited understanding of this process, most synthesis advancements happen by a trial and error approach. There is considerable interest in understanding the synthesis process at a molecular level with the expectation that eventually new framework structures will be built by design. The basic issues in the microporous materials crystallization process include: (a) Nature of the molecular units responsible for the crystal nuclei formation; (b) Nature of the nuclei and nucleation process; (c) Growth process of the nuclei into crystal; (d) Morphological control and size of the resulting crystal; (e) Surface structure of the resulting crystals; and (f) Transformation of frameworks into other frameworks or condensed structures.

Singh, Ramsharan↗
NASA NTRS2018

Comparison of Aircraft Conceptual Design Weight Estimation Methods to the Flight Optimization System

Weight estimation is critical in the aircraft conceptual design process. The Flight Optimization System (FLOPS) is an aircraft conceptual design tool that has been the primary aircraft synthesis software used by the Systems Analysis and Concepts Directorate at NASA Langley Research Center. FLOPS includes multiple modules that represent aircraft design disciplines. The FLOPS weight module includes estimation methods that are similar in nature to other regression based aircraft preliminary weight estimation methods, however the FLOPS methods were created to use a minimum number of input parameters to limit the effort required by the designer to apply it. As FLOPS has recently been made publically available, this work compares the FLOPS weight estimation methods with several similar methods with the goal of explaining the differences in FLOPS, providing conceptual designers with a brief introduction to the method before attempting to apply it, and providing a reference to inform the development of future weight estimating relationships. In this paper, the Boeing 737-200 is used as a test case to highlight to differences and similarities in the methods.

Horvath, Bryce L.↗
NASA NTRS1981

Adaptive Finite Element Technology in Integrated Design and Analysis

An assessment of the potential impact of adaptive finite element technology on the analysis part of the aircraft structural synthesis process is presented. The main conclusion is that adaptive application of the p-version of the finite element method based on indirect error estimation procedures results in substantial cost reduction and increased reliability of the computed data. Adaptivity based on direct a posteriori error estimation has the potential for additional savings.

Szabo, B. A.↗
DOE OSTI2025

Revealing the Crystalline Architecture of Semicrystalline Ion Exchange Membranes for the Design of Conductive and Durable Alkaline Anion Exchange Membranes

Alkaline anion exchange membrane (AAEM) fuel cells offer a cost-effective alternative to proton exchange membrane (PEM) fuel cells by eliminating the need for expensive precious metal catalysts. In both PEMs and AAEMs, semicrystalline polymers are a common choice, as the crystalline domains can act as mechanical reinforcements that limit swelling and promote mechanical durability in the material. However, spatially resolved characterization of crystalline organization in ion exchange membranes beyond ensemble-averaged X-ray scattering is underrepresented, likely in part due to ionization damage limitations in soft materials. Here, in this study, we resolve the nanometer-size crystallites in semicrystalline ion exchange membranes by applying cryogenic four-dimensional scanning transmission electron microscopy (cryo-4D-STEM) along with data-processing algorithms designed to optimize signals at a low dose to minimize radiation damage. We investigate the effects of synthesis components, including molecular weight and thermal treatment, on a model system of AAEMs in comparison to Nafion, the most commonly used and commercially successful PEM today. We find that excess water uptake in polymer membranes, a property directly associated with weak mechanical durability and with possible negative impacts on ion conductivity, can be reduced by over 30% by varying the polymer's crystalline morphology through changes in synthesis parameters such as molecular weight and thermal history. Our results indicate that this improvement is correlated with smaller crystalline domains with a more homogeneous distribution. More broadly, these results demonstrate how the crystalline architecture of polymer membranes can be tuned through their chemistry and thermal treatment in order to improve their conductivity and durability for commercial fuel cell performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1985

Video image processing

Current technology projections indicate a lack of availability of special purpose computing for Space Station applications. Potential functions for video image special purpose processing are being investigated, such as smoothing, enhancement, restoration and filtering, data compression, feature extraction, object detection and identification, pixel interpolation/extrapolation, spectral estimation and factorization, and vision synthesis. Also, architectural approaches are being identified and a conceptual design generated. Computationally simple algorithms will be research and their image/vision effectiveness determined. Suitable algorithms will be implimented into an overall architectural approach that will provide image/vision processing at video rates that are flexible, selectable, and programmable. Information is given in the form of charts, diagrams and outlines.

Murray, N. D.↗