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Results for “Synthesis Design”

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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Design Principles for the Synthesis of Self-Pillared ZSM-5 Zeolite Nanosheets

The design of next-generation materials for emerging energy and environmental applications heavily relies on empirical approaches to direct nonclassical nucleation and crystal growth pathways, polymorphism, intercrystalline transformations, and seed-assisted growth processes. A long-standing obstacle to nanoporous materials design is the complexity of their crystallization, which hinders the development of predictive models and/or physical descriptors that can guide their synthesis. In this study, we use a combination of state-of-the-art synthesis, characterization, and computational design to prepare hierarchical MFI-type zeolites, which we couple with benchmark catalytic testing to assess structure-property-performance relationships. These hierarchical materials are intergrowths of two commercially relevant zeolite frameworks, MFI and MEL, prepared as self-pillared pentasil (SPP) zeolites through seed-assisted, organic-free syntheses for which little theoretical guidance existed. Here, by comparing a large library of zeolite seeds with different pore sizes, dimensions, and structural composite building units, we determined the relative impact of seed and silica source selection, among other synthesis variables. Combined experimental and computational studies are used to test several hypotheses in literature to rationalize the choice of seed structure and establish a more robust selection criteria for seed-assisted synthesis of zeolites. Specifically, we show that a data-driven approach to develop structural descriptors correlates to new, facile routes to rationally design SPP zeolites, addressing knowledge gaps in the fundamental understanding of (non)classical crystal growth mechanisms that are characteristic of nanoporous aluminosilicates.

36 MATERIALS SCIENCE↗
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↗
DOE OSTI2014

Fundamental studies of energy-and hole/electron- transfer in hydroporphyrin architectures

The long-term objective of the Bocian/Holten/Lindsey research program is to design, synthesize, and characterize tetrapyrrole-based molecular architectures that absorb sunlight, funnel energy, and separate charge with high efficiency and in a manner compatible with current and future solar-energy conversion schemes. The synthetic tetrapyrroles include porphyrins and hydroporphyrins; the latter classes of molecules encompass analogues of the naturally occurring chlorophylls and bacteriochlorophylls (e.g., chlorins, bacteriochlorins, and their derivatives). The attainment of the goals of the research program requires the close interplay of molecular design and synthesis (Lindsey group), static and time-resolved optical spectroscopic measurements (Holten group), and electrochemical, electron paramagnetic resonance, and resonance Raman studies, as well as density functional theory calculations (Bocian Group). The proposed research encompasses four interrelated themes: (1) Determination of the rates of ground-state hole/electron transfer between (hydro)porphyrins in multipigment arrays as a function of array size, distance between components, linker type, site of linker connection, and frontier molecular orbital composition. (2) Examination of excited-state energy transfer among hydroporphyrins in multipigment arrrays, including both pairwise and non-adjacent transfer, with a chief aim to identify the relative contributions of through-space (Förster) and through-bond (Dexter) mechanisms of energy transfer, including the roles of site of linker connection and frontier molecular orbital composition. (3) Elucidation of the role of substituents in tuning the spectral and electronic properties of bacteriochlorins, with a primary aim of learning how to shift the long-wavelength absorption band deeper into the near-infrared region. (4) Continued development of the software package PhotochemCAD for spectral manipulations and calculations through the compilation of a database of spectra for naturally occurring and synthetic hydroporphyrins. The availability of such data should augment efforts in the design of light-harvesting systems where spectral coverage in the red and near-infrared regions is desired. Collectively, the proposed studies will provide fundamental insights into molecular properties, interactions, and processes relevant to the design of molecular architectures for solar-energy conversion. The accomplishment of these goals is only possible through a highly synergistic program that encompasses molecular design, synthesis, and characterization.

14 SOLAR ENERGY↗
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.↗