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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Thioester synthesis by a designed nickel enzyme models prebiotic energy conversion

The formation of carbon–carbon bonds from prebiotic precursors such as carbon dioxide represents the foundation of all primordial life processes. In extant organisms, this reaction is carried out by the carbon monoxide dehydrogenase (CODH)/acetyl coenzyme A synthase (ACS) enzyme, which performs the cornerstone reaction in the ancient Wood–Ljungdahl metabolic pathway to synthesize the key biological metabolite, acetyl-CoA. Despite its significance, a fundamental understanding of this transformation is lacking, hampering efforts to harness analogous chemistry. To address these knowledge gaps, we have designed an artificial metalloenzyme within the azurin protein scaffold as a structural, functional, and mechanistic model of ACS. We demonstrate the intermediacy of the Ni I species and requirement for ordered substrate binding in the bioorganometallic carbon–carbon bond-forming reaction from the one-carbon ACS substrates. The electronic and geometric structures of the nickel-acetyl intermediate have been characterized using time-resolved optical, electron paramagnetic resonance, and X-ray absorption spectroscopy in conjunction with quantum chemical calculations. Moreover, we demonstrate that the nickel-acetyl species is chemically competent for selective acyl transfer upon thiol addition to biosynthesize an activated thioester. Drawing an analogy to the native enzyme, a mechanism for thioester generation by this ACS model has been proposed. The fundamental insight into the enzymatic process provided by this rudimentary ACS model has implications for the evolution of primitive ACS-like proteins. Ultimately, these findings offer strategies for development of highly active catalysts for sustainable generation of liquid fuels from one-carbon substrates, with potential for broad applications across diverse fields ranging from energy storage to environmental remediation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1973

Control law synthesis and sensor design for active flutter suppression.

Methods are presented for representing unsteady aerodynamic loadings, valid for arbitrary motion, for the two-dimensional typical section with a trailing-edge control surface in incompressible flow and a three-dimensional lifting surface with leading- or trailing-edge control surfaces in subsonic compressible flow. Loads for the two-dimensional incompressible case are obtained via analytic continuation of the Theodorsen function into the complex plane, with guidance from a time-domain approximation of the Wagner indicial function. For the three-dimensional case, it is proposed that oscillatory generalized aerodynamic forces be approximated by Pade fractions, thereby permitting an obvious continuation into the complex plane. A theoretical justification for this procedure is briefly outlined, and some practical aspects of its implementation are discussed.

Lyons, M. G.↗
NASA NTRS1980

Output feedback non-linear decoupled control synthesis and observer design for manoeuvring aircraft

A study of the applicability of nonlinear decoupling theory to the design of control systems using output feedback for maneuvering aircraft is presented. The response variables chosen for decoupled control were angular velocity components along roll, pitch, and yaw axes, angle of attack (p), and angle of sideslip, using aileron, rudder, and elevator controls. An observer design for a class of nonlinear systems was presented and this method was used to estimate angle of attack and sideslip; an approximate observer was obtained by neglecting derivatives of p and aileron deflection angles and it was used in a simulation study. A simulation study showed that precise rapid combined lateral and longitudinal maneuvers can be performed; it was also demonstrated that a bank-angle-command outer loop could be designed for precise bank angles changes and simultaneous large lift maneuvers.

Singh, S. N.↗
DOE OSTI2021

Towards Automatic and Agile AI/ML Accelerator Design with End-to-End Synthesis

Domain-specific designs offer greater energy efficiency and performance gain than general-purpose processors. For this reason, modern system-on-chips have a significant portion of their silicon area with custom accelerators. However, designing hardware by hand is laborious and time-consuming, given the large design space and the performance, power, and area constraints that are not realized in the software. Moreover, domain-specific algorithms (e.g., machine learning models) are evolving quickly, challenging the accelerator design further. To address these issues, this paper presents SODA Synthesizer, an automated open-source high-level ML framework to Verilog modular compiler targeting AI/ML Application-Specific Integrated Circuits (ASICs) accelerators. SODA tightly couples the Multi- Level Intermediate Representation (MLIR) compiler infrastructure [24] and open-source HLS approaches. Thus, SODA can support various ML frameworks and algorithms and can perform optimizations that combine specialized architecture templates and conventional HLS to generate the hardware modules. In addition, SODA’s closed-loop design space exploration (DSE) engine allows developers to perform end-to-end design space explorations on different metrics and technology nodes.

Zhang, Jeff↗
DOE OSTI2022

Interfacing DNA nanotechnology and biomimetic photonic complexes: advances and prospects in energy and biomedicine

Abstract Self-assembled photonic systems with well-organized spatial arrangement and engineered optical properties can be used as efficient energy materials and as effective biomedical agents. The lessons learned from natural light-harvesting antennas have inspired the design and synthesis of a series of biomimetic photonic complexes, including those containing strongly coupled dye aggregates with dense molecular packing and unique spectroscopic features. These photoactive components provide excellent features that could be coupled to multiple applications including light-harvesting, energy transfer, biosensing, bioimaging, and cancer therapy. Meanwhile, nanoscale DNA assemblies have been employed as programmable and addressable templates to guide the formation of DNA-directed multi-pigment complexes, which can be used to enhance the complexity and precision of artificial photonic systems and show the potential for energy and biomedical applications. This review focuses on the interface of DNA nanotechnology and biomimetic photonic systems. We summarized the recent progress in the design, synthesis, and applications of bioinspired photonic systems, highlighted the advantages of the utilization of DNA nanostructures, and discussed the challenges and opportunities they provide. Graphical Abstract

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1994

Microgravity isolation system design: A modern control synthesis framework

Manned orbiters will require active vibration isolation for acceleration-sensitive microgravity science experiments. Since umbilicals are highly desirable or even indispensable for many experiments, and since their presence greatly affects the complexity of the isolation problem, they should be considered in control synthesis. In this paper a general framework is presented for applying extended H2 synthesis methods to the three-dimensional microgravity isolation problem. The methodology integrates control and state frequency weighting and input and output disturbance accommodation techniques into the basic H2 synthesis approach. The various system models needed for design and analysis are also presented. The paper concludes with a discussion of a general design philosophy for the microgravity vibration isolation problem.

Hampton, R. D.↗
NASA NTRS1994

Microgravity isolation system design: A modern control synthesis framework

Manned orbiters will require active vibration isolation for acceleration-sensitive microgravity science experiments. Since umbilicals are highly desirable or even indispensable for many experiments, and since their presence greatly affects the complexity of the isolation problem, they should be considered in control synthesis. A general framework is presented for applying extended H2 synthesis methods to the three-dimensional microgravity isolation problem. The methodology integrates control and state frequency weighting and input and output disturbance accommodation techniques into the basic H2 synthesis approach. The various system models needed for design and analysis are also presented. The paper concludes with a discussion of a general design philosophy for the microgravity vibration isolation problem.

Hampton, R. D.↗
NASA NTRS1981

Multivariable feedback design - Concepts for a classical/modern synthesis

This paper presents a practical design perspective on multivariable feedback control problems. It reviews the basic issue - feedback design in the face of uncertainties - and generalizes known single-input, single-output (SISO) statements and constraints of the design problem to multiinput, multioutput (MIMO) cases. Two major MIMO design approaches are then evaluated in the context of these results.

Doyle, J. C.↗
DOE OSTI2021

Synthesis and Processing by Design of High-Nickel Cathode Materials

The high demand of lightweight, high energy density batteries for energy storage promotes new materials discovery and development. Despite the large number of battery materials being discovered, very few of them have been commercially deployed, mostly bottlenecked by synthesis and processing – namely, making certain phases with the desired structure and properties to meet the multifaceted performance requirements. Alternative to the traditional trial and error, we present here an in situ study aided synthesis- and processing-by-design approach. With specific examples, we illustrate how to use the approach to identify reaction pathways in synthesis and processing of high-Nickel (Ni) cathode materials for next-generation lithium-ion batteries, thereby ensuring precise control of their structure, morphology, and surface properties. Furthermore, perspectives are provided on the wide applicability of the approach to solving critical issues inherent to high-Ni cathodes and the new directions and opportunities in the area.

36 MATERIALS SCIENCE↗
NASA NTRS1988

A parametric LQ approach to multiobjective control system design

The synthesis of a constant parameter output feedback control law of constrained structure is set in a multiple objective linear quadratic regulator (MOLQR) framework. The use of intuitive objective functions such as model-following ability and closed-loop trajectory sensitivity, allow multiple objective decision making techniques, such as the surrogate worth tradeoff method, to be applied. For the continuous-time deterministic problem with an infinite time horizon, dynamic compensators as well as static output feedback controllers can be synthesized using a descent Anderson-Moore algorithm modified to impose linear equality constraints on the feedback gains by moving in feasible directions. Results of three different examples are presented, including a unique reformulation of the sensitivity reduction problem.

Kyr, Douglas E.↗
NASA NTRS1988

A parametric LQ approach to multiobjective control system design

The synthesis of a constant parameter output feedback control law of constrained structure is set in a multiple-objective linear quadratic regulator (MOLQR) framework. The use of intuitive objective functions such as model-following ability and closed-loop trajectory sensitivity allows multiple-objective decision-making techniques, such as the surrogate worth tradeoff method, to be applied. For the continuous-time deterministic problem with an infinite time horizon, dynamic compensators as well as static output feedback controllers can be synthesized using a descent Anderson-Moore algorithm modified to impose linear equality constraints on the feedback gains by moving in feasible directions. Results of three different examples are presented, including a unique reformulation of the sensitivity reduction problem.

Kyr, Doug↗
DOE OSTI2022

Structurally Defined Water‐Soluble Metallofullerene Derivatives towards Biomedical Applications

Abstract Endohedral metallofullerenes (EMFs) are excellent carriers of rare‐earth element (REE) ions in biomedical applications because they preclude the release of toxic metal ions. However, existing approaches to synthesize water‐soluble EMF derivatives yield mixtures that inhibit precise drug design. Here we report the synthesis of metallobuckytrio (MBT), a three‐buckyball system, as a modular platform to develop structurally defined water‐soluble EMF derivatives with ligands by choice. Demonstrated with PEG ligands, the resulting water‐soluble MBTs show superb biocompatibility. The Gd MBTs exhibit superior T 1 relaxivity than typical Gd complexes, potentially superseding current clinical MRI contrast agents in both safety and efficiency. The Lu MBTs generated reactive oxygen species upon light irradiation, showing promise as photosensitizers. With their modular nature to incorporate other ligands, we anticipate the MBT platform to open new paths towards bio‐specific REE drugs.

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

Efficient frequency conversion of laser sources in nonlinear crystals

The use of nonlinear crystals to extend the frequency range of solid-state laser sources is proposed. The harmonic generation of high-average-power laser sources and CW-laser-sources nonlinear crystals is considered. The development of Nd:YAG pumped parametric oscillators and optical parametric amplifiers using LiNbO3 or AgGaS2 is studied. The LiNbO3 oscillator has tunable output over the 1.4-4.0 micron range and is applicable for remote sensing measurements of molecules and of humidity and temperature; AgGaS2 oscillators provide the potential for 3-15 micron infrared generation. Advances in material synthesis techniques related to the design and synthesis of nonlinear media are discussed. Various procedures for the synthesis of nonlinear crystals are described.

Byer, R. L.↗
NASA NTRS2004

Designing Domain-Specific HUMS Architectures: An Automated Approach

The HUMS automation system automates the design of HUMS architectures. The automated design process involves selection of solutions from a large space of designs as well as pure synthesis of designs. Hence the whole objective is to efficiently search for or synthesize designs or parts of designs in the database and to integrate them to form the entire system design. The automation system adopts two approaches in order to produce the designs: (a) Bottom-up approach and (b) Top down approach. Both the approaches are endowed with a Suite of quantitative and quantitative techniques that enable a) the selection of matching component instances, b) the determination of design parameters, c) the evaluation of candidate designs at component-level and at system-level, d) the performance of cost-benefit analyses, e) the performance of trade-off analyses, etc. In short, the automation system attempts to capitalize on the knowledge developed from years of experience in engineering, system design and operation of the HUMS systems in order to economically produce the most optimal and domain-specific designs.

Mukkamala, Ravi↗
DOE OSTI2020

Computationally aided, entropy-driven synthesis of highly efficient and durable multi-elemental alloy catalysts

Multi-elemental alloy nanoparticles (MEA-NPs) hold great promise for catalyst discovery in a virtually unlimited compositional space. However, rational and controllable synthesize of these intrinsically complex structures remains a challenge. Here, we report the computationally aided, entropy-driven design and synthesis of highly efficient and durable catalyst MEA-NPs. The computational strategy includes prescreening of millions of compositions, prediction of alloy formation by density functional theory calculations, and examination of structural stability by a hybrid Monte Carlo and molecular dynamics method. Selected compositions can be efficiently and rapidly synthesized at high temperature (e.g., 1500 K, 0.5 s) with excellent thermal stability. We applied these MEA-NPs for catalytic NH 3 decomposition and observed outstanding performance due to the synergistic effect of multi-elemental mixing, their small size, and the alloy phase. We anticipate that the computationally aided rational design and rapid synthesis of MEA-NPs are broadly applicable for various catalytic reactions and will accelerate material discovery.

36 MATERIALS SCIENCE↗
NASA NTRS1997

Hierarchical Modeling and Robust Synthesis for the Preliminary Design of Large Scale Complex Systems

Large-scale complex systems are characterized by multiple interacting subsystems and the analysis of multiple disciplines. The design and development of such systems inevitably requires the resolution of multiple conflicting objectives. The size of complex systems, however, prohibits the development of comprehensive system models, and thus these systems must be partitioned into their constituent parts. Because simultaneous solution of individual subsystem models is often not manageable iteration is inevitable and often excessive. In this dissertation these issues are addressed through the development of a method for hierarchical robust preliminary design exploration to facilitate concurrent system and subsystem design exploration, for the concurrent generation of robust system and subsystem specifications for the preliminary design of multi-level, multi-objective, large-scale complex systems. This method is developed through the integration and expansion of current design techniques: Hierarchical partitioning and modeling techniques for partitioning large-scale complex systems into more tractable parts, and allowing integration of subproblems for system synthesis; Statistical experimentation and approximation techniques for increasing both the efficiency and the comprehensiveness of preliminary design exploration; and Noise modeling techniques for implementing robust preliminary design when approximate models are employed. Hierarchical partitioning and modeling techniques including intermediate responses, linking variables, and compatibility constraints are incorporated within a hierarchical compromise decision support problem formulation for synthesizing subproblem solutions for a partitioned system. Experimentation and approximation techniques are employed for concurrent investigations and modeling of partitioned subproblems. A modified composite experiment is introduced for fitting better predictive models across the ranges of the factors, and an approach for constructing partitioned response surfaces is developed to reduce the computational expense of experimentation for fitting models in a large number of factors. Noise modeling techniques are compared and recommendations are offered for the implementation of robust design when approximate models are sought. These techniques, approaches, and recommendations are incorporated within the method developed for hierarchical robust preliminary design exploration. This method as well as the associated approaches are illustrated through their application to the preliminary design of a commercial turbofan turbine propulsion system. The case study is developed in collaboration with Allison Engine Company, Rolls Royce Aerospace, and is based on the Allison AE3007 existing engine designed for midsize commercial, regional business jets. For this case study, the turbofan system-level problem is partitioned into engine cycle design and configuration design and a compressor modules integrated for more detailed subsystem-level design exploration, improving system evaluation. The fan and low pressure turbine subsystems are also modeled, but in less detail. Given the defined partitioning, these subproblems are investigated independently and concurrently, and response surface models are constructed to approximate the responses of each. These response models are then incorporated within a commercial turbofan hierarchical compromise decision support problem formulation. Five design scenarios are investigated, and robust solutions are identified. The method and solutions identified are verified by comparison with the AE3007 engine. The solutions obtained are similar to the AE3007 cycle and configuration, but are better with respect to many of the requirements.

Koch, Patrick N.↗