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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

U(1) fields from qubits: An approach via D-theory algebra

A new quantum link microstructure was proposed for the lattice quantum chromodynamics (QCD) Hamiltonian, replacing the Wilson gauge links with a bilinear of fermionic qubits, later generalized to D-theory. This formalism provides a general framework for building lattice field theory algorithms for quantum computing. We focus mostly on the simplest case of a quantum rotor for a single compact U(1) field. We also make some progress for non-Abelian setups, making it clear that the ideas developed in the U(1) case extend to other groups. These in turn are building blocks for 1 + 0 -dimensional ( 1 + 0 -D) matrix models, 1 + 1 -D sigma models and non-Abelian gauge theories in 2 + 1 and 3 + 1 dimensions. By introducing multiple flavors for the U(1) field, where the flavor symmetry is gauged, we can efficiently approach the infinite-dimensional Hilbert space of the quantum O(2) rotor with increasing flavors. The emphasis of the method is on preserving the symplectic algebra exchanging fermionic qubits by sigma matrices (or hard bosons) and developing a formal strategy capable of generalization to a SU ( 3 ) field for lattice QCD and other non-Abelian 1 + 1 -D sigma models or 3 + 1 -D gauge theories. For U(1), we discuss briefly the qubit algorithms for the study of the discrete 1 + 1 -D sine-Gordon equation. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
NASA NTRS1997

Analysis of Stub Loaded Microstrip Patch Antennas

A microstrip patch antenna fed by a coaxial probe and reactively loaded by a open circuited microstrip line has been used previously to produce circular polarization and also as a building block for a series fed microstrip patch array. Rectangular and circular patch antennas loaded with a microstrip stub were previously analyzed using the generalized Thevenin theorem. In the Thevenin theorem approach, the mutual coupling between the patch current and the surface current on the stub was not taken into account. Also, the Thevenin theorem approach neglects continuity of current at the patch-stub junction. The approach in this present paper includes the coupling between the patch and stub currents as well as continuity at the patch-stub junction. The input impedance for a stub loaded microstrip patch is calculated by the general planar dielectric dyadic Green's function approach in the spectral domain, as was initiated much earlier and has been extensively expanded upon and utilized successfully throughout the literature for microstrip antenna configurations. Using the spectral domain dyadic Green s function derived earlier with the electric field integral equation (EFIE), the problem is formulated by using entire domain basis functions to represent the surface current densities on the patch, the loading stub and the attachment mode at the junction. Galerkin's procedure is used to reduce the EFIE to a matrix equation, which is then solved to obtain the amplitudes of the surface currents. These surface currents are then used for calculating the input impedance of stub loaded rectangular and circular microstrip patches. Numerical results are compared with measured results and with previous results calculated by the Thevenin's theorem approach.

Deshpande, M. D.↗
NASA NTRS2014

Development of a Twin-spool Turbofan Engine Simulation Using the Toolbox for Modeling and Analysis of Thermodynamic Systems (T-MATS)

The Toolbox for Modeling and Analysis of Thermodynamic Systems (T-MATS) is a tool that has been developed to allow a user to build custom models of systems governed by thermodynamic principles using a template to model each basic process. Validation of this tool in an engine model application was performed through reconstruction of the Commercial Modular Aero-Propulsion System Simulation (C-MAPSS) (v2) using the building blocks from the T-MATS (v1) library. In order to match the two engine models, it was necessary to address differences in several assumptions made in the two modeling approaches. After these modifications were made, validation of the engine model continued by integrating both a steady-state and dynamic iterative solver with the engine plant and comparing results from steady-state and transient simulation of the T-MATS and C-MAPSS models. The results show that the T-MATS engine model was accurate within 3 of the C-MAPSS model, with inaccuracy attributed to the increased dimension of the iterative solver solution space required by the engine model constructed using the T-MATS library. This demonstrates that, given an understanding of the modeling assumptions made in T-MATS and a baseline model, the T-MATS tool provides a viable option for constructing a computational model of a twin-spool turbofan engine that may be used in simulation studies.

thermodynamic simulation↗
NASA NTRS2014

Development of a Twin-Spool Turbofan Engine Simulation Using the Toolbox for the Modeling and Analysis of Thermodynamic Systems (T-MATS)

The Toolbox for the Modeling and Analysis of Thermodynamic Systems (T-MATS) is a tool that has been developed to allow a user to build custom models of systems governed by thermodynamic principles using a template to model each basic process. Validation of this tool in an engine model application was performed through reconstruction of the Commercial Modular Aero-Propulsion System Simulation (C-MAPSS) (v2) using the building blocks from the T-MATS (v1) library. In order to match the two engine models, it was necessary to address differences in several assumptions made in the two modeling approaches. After these modifications were made, validation of the engine model continued by integrating both a steady-state and dynamic iterative solver with the engine plant and comparing results from steady-state and transient simulation of the T-MATS and C-MAPSS models. The results show that the T-MATS engine model was accurate within 3% of the C-MAPSS model, with inaccuracy attributed to the increased dimension of the iterative solver solution space required by the engine model constructed using the T-MATS library. This demonstrates that, given an understanding of the modeling assumptions made in T-MATS and a baseline model, the T-MATS tool provides a viable option for constructing a computational model of a twin-spool turbofan engine that may be used in simulation studies.

numerical simulation↗
NASA NTRS2017

NASA's Space Launch System: Systems Engineering Approach for Affordability and Mission Success

NASA is working toward the first launch of a new, unmatched capability for deep space exploration, with launch readiness planned for 2018. The initial Block 1 configuration of the Space Launch System will more than double the mass and volume to Low Earth Orbit (LEO) of any launch vehicle currently in operation - with a path to evolve to the greatest capability ever developed. The program formally began in 2011. The vehicle successfully passed Preliminary Design Review (PDR) in 2013, Key Decision Point C (KDPC) in 2014 and Critical Design Review (CDR) in October 2015 - nearly 40 years since the last CDR of a NASA human-rated rocket. Every major SLS element has completed components of test and flight hardware. Flight software has completed several development cycles. RS-25 hotfire testing at NASA Stennis Space Center (SSC) has successfully demonstrated the space shuttle-heritage engine can perform to SLS requirements and environments. The five-segment solid rocket booster design has successfully completed two full-size motor firing tests in Utah. Stage and component test facilities at Stennis and NASA Marshall Space Flight Center are nearing completion. Launch and test facilities, as well as transportation and other ground support equipment are largely complete at NASA's Kennedy, Stennis and Marshall field centers. Work is also underway on the more powerful Block 1 B variant with successful completion of the Exploration Upper Stage (EUS) PDR in January 2017. NASA's approach is to develop this heavy lift launch vehicle with limited resources by building on existing subsystem designs and existing hardware where available. The systems engineering and integration (SE&I) of existing and new designs introduces unique challenges and opportunities. The SLS approach was designed with three objectives in mind: 1) Design the vehicle around the capability of existing systems; 2) Reduce work hours for nonhardware/ software activities; 3) Increase the probability of mission success by focusing effort on more critical activities.

Hutt, John J.↗
DOE OSTI2024

Final Technical Report

The capture of CO2 and its simultaneously conversion to useful chemical fuels driven by solar energy represents one of the best solutions to resolve our growing energy and environmental concerns. The most critical challenge to this endeavor is the rational design of a photocatalytic architecture that can effectively couple a given photosensitizer (PS) with an appropriate catalyst, thereby enabling efficient photosensitization of a multi-electron reduction catalysis. This research program aims to address this challenge using an interdisciplinary approach that combines innovative material design and synthesis, fundamental mechanistic studies, and photocatalytic performance evaluation. The strategies include 1) constructing and investigating a novel class of 2D COF hybrid photocatalysts with an effective photoactive organic building block as PS and a precisely incorporated CO2 reduction molecular catalyst (MC); and 2) mechanistic origins of CO2 photoreduction using a set of complementary time-resolved and in situ spectroscopic techniques. The novelty of the proposed hybrid system lies in the unprecedented combination of the unique advantage of porous crystalline COF PS with the precise catalytic function of MC for photocatalytic CO2 reduction. In the periods of the support (09/01/2019-12/31/2022), we have made research progress in four projects: 1) Exploring 2D COFs with incorporated Mn complex for light driven CO2 reduction; 2) The dependence of excited state and charge transfer dynamics on monomer structure of 2D COFs; and 3) Control over Charge Separation by Imine Structural Isomerization in Covalent Organic Frameworks with Implications on CO2 Photoreduction; and 4) The impact of monomer structure on the photoluminescence properties of COFs. We found that both monomer structure and linker chemistry can effectively impact the excited state dynamics, charge transfer properties, and photoluminescence quantum yields, the important properties that dictate their applications in photocatalysis. In addition, we found that the direction of imine linker determines charge transfer direction and thus controls the types of catalytic reactions (e.g. water oxidation or CO2 reduction reactions). The result from these fundamental studies provides important information for correlating the structure of the COF photocatalysts with their photophysical properties and catalytic functions, paving the way for their novel application in photocatalysis. We expect that our findings will contribute to addressing current shortcomings of semiconductor- and molecular-based photocatalytic systems that suffer from inefficient light harvesting and charge separation and poor adsorption and activation of reactants. In turn, this research will contribute towards the development of novel photocatalytic systems for CO2 reduction to generate renewable chemical fuels and simultaneously address the problem of mitigating climate change due to CO2 accumulation. In addition, the experimental approaches employed in this research can be easily transferred to other energy technologies and are expected to broadly impact fields involving photocatalysis, optoelectronic devices, and solar energy conversion. The proposed research has also been integrated with educational activities and serve as a basis to raise awareness around the critical issues of global energy production and consumption, and to develop the next generation of solar energy scientists.

14 SOLAR ENERGY↗
NASA NTRS2001

Vibrational Spectroscopy and Astrobiology

Role of vibrational spectroscopy in solving problems related to astrobiology will be discussed. Vibrational (infrared) spectroscopy is a very sensitive tool for identifying molecules. Theoretical approach used in this work is based on direct computation of anharmonic vibrational frequencies and intensities from electronic structure codes. One of the applications of this computational technique is possible identification of biological building blocks (amino acids, small peptides, DNA bases) in the interstellar medium (ISM). Identifying small biological molecules in the ISM is very important from the point of view of origin of life. Hybrid (quantum mechanics/molecular mechanics) theoretical techniques will be discussed that may allow to obtain accurate vibrational spectra of biomolecular building blocks and to create a database of spectroscopic signatures that can assist observations of these molecules in space. Another application of the direct computational spectroscopy technique is to help to design and analyze experimental observations of ice surfaces of one of the Jupiter's moons, Europa, that possibly contains hydrated salts. The presence of hydrated salts on the surface can be an indication of a subsurface ocean and the possible existence of life forms inhabiting such an ocean.

Chaban, Galina M.↗
NASA NTRS1997

Analysis of Stub Loaded Microstrip Patch Antennas

A microstrip patch antenna fed by a coaxial probe and reactively loaded by a open circuited microstrip line has been used previously to produce circular polarization[ l] and also as a building block for a series fed microstrip patch array [2]. Rectangular and circular patch antennas loaded with a microstrip stub were previously analyzed using the generalized Thevenin theorem [2,3]. In the Thevenin theorem approach, the mutual coupling between the patch current and the surface current on the stub was not taken into account. Also, the Thevenin theorem approach neglects continuity of current at the patch-stub junction. The approach in this present paper includes the coupling between the patch and stub currents as well as continuity at the patch-stub junction.

Bailey, M. C.↗
DOE OSTI2024

Schema Elements for Granta Annual Report: FY2024

Granta: Materials Intelligence (Granta: MI) is a commercial database software distributed by Ansys, Inc. that is utilized by the Nuclear Security Enterprise (NSE) to organize and store relevant materials data. Lack of standard and well-documented database schema is the primary obstacle to an NSE materials data management solution, so the objective of this project is to create and document such a schema. In FY21, an approach for designing, documenting, and managing a standard database schema was described based on the creation of schema elements (collections of attributes used to describe particular aspects of the data) to be used as building blocks for creating various database tables without duplication. In FY22, these methods were applied through a multi-site collaboration to create and document the schema elements necessary to build a thermogravimetric analysis (TGA) testing table. In FY23 the schema was expanded to include elements for a differential scanning calorimetry (DSC) table, along with schema for supporting metadata tables including Instruments, Projects, Documents, and Testing Series. In FY24 the following progress was made, again through multi-site collaboration: • The existing schema elements were modified to accommodate thermomechanical analysis (TMA) data, and a table, Test Data: TMA, was created for managing TMA data. • The elements necessary for the following additive manufacturing (AM) data tables (directed at data specific to selective laser sintering AM technology) were created: • AM Builds • AM Processes • AM Part Designs • Built AM Parts • AM Feedstock Materials • AM Feedstock Material Batches • The elements necessary for creating a Calibrated Material Models table were created, and the Calibrated Material Models table was created. In FY25 the existing schema will be deployed on the production enterprise Granta instance on the enterprise secure network. Schema elements will be appended, and new elements created as necessary, to allow the creation of tables specifically to support materials testing, AM process development, and design and analysis for modernization programs.

36 MATERIALS SCIENCE↗
NASA NTRS2003

Bio-Organic Nanotechnology: Using Proteins and Synthetic Polymers for Nanoscale Devices

While the ability of proteins to self-assemble makes them powerful tools in nanotechnology, in biological systems protein-based structures ultimately depend on the context in which they form. We combine the self-assembling properties of synthetic diblock copolymers and proteins to construct intricately ordered, three-dimensional polymer protein structures with the ultimate goal of forming nano-scale devices. This hybrid approach takes advantage of the capabilities of organic polymer chemistry to build ordered structures and the capabilities of genetic engineering to create proteins that are selective for inorganic or organic substrates. Here, microphase-separated block copolymers coupled with genetically engineered heat shock proteins are used to produce nano-scale patterning that maximizes the potential for both increased structural complexity and integrity.

Molnar, Linda K.↗
NASA NTRS2020

Space-Based Observations for Understanding Changes in the Arctic-Boreal Zone

Observations taken over the last few decades indicate that dramatic changes are occurring in the ArcticBoreal Zone (ABZ), which are having significant impacts on ABZ inhabitants, infrastructure, flora and fauna, and economies. While suitable for detecting overall change, the current capability is inadequate for systematic monitoring and for improving processbased and largescale understanding of the integrated components of the ABZ, which includes the cryosphere, biosphere, hydrosphere, and atmosphere. Such knowledge will lead to improvements in Earth system models, enabling more accurate prediction of future changes and development of informed adaptation and mitigation strategies. In Duncan et al. (2020), we review the strengths and limitations of current spacebased observational capabilities for several important ABZ components and make recommendations for improving upon these current capabilities. We recommend an interdisciplinary and stepwise approach to develop a comprehensive ABZ Observing Network (ABZON), beginning with an initial focus on observing networks designed to gain processbased understanding for individual ABZ components and systems that can then serve as the building blocks for a comprehensive ABZON.

Artic-Boreal↗
DOE OSTI2025

SNoGloDe: A Structured Nonlinear Global Decomposition Solver

Large-scale optimization problems often require decomposition strategies and customized algorithms to achieve optimal solutions within a reasonable time. Building on the work of Cao and Zavala (2019) for solving nonlinear two-stage stochastic programs to global optimality, we implement and extend their approach. We generalize to optimization problems reformulated with a block-angular constraint structure (e.g., temporal decomposition). Our framework, written in Python using Pyomo, is highly customizable and enables parallel execution of the decomposition. SNoGloDe allows tailored branching strategies, lower bounding problems, and candidate generators to leverage problem-specific knowledge. To demonstrate effectiveness, we compare SNoGloDe’s performance with Gurobi on a temporally decomposed produced water case study.

algorithms↗
NASA NTRS2004

X-37 Flight Demonstrator: A Building Block in NASA's Future Access to Space

X-37 is a fully automated winged vehicle designed to go into low-Earth orbit, maneuver, reenter Earth's atmosphere, and glide back to a landing site. This viewgraph presentation gives an overview of the X-37 flight demonstrator, including cut-away diagrams of its interior, the phased approach to its orbital flight demonstrations, and the experience the program will give aerospace engineers. The presentation also lists X-37 applications, partners, and milestones.

Jacobson, David↗
DOE OSTI2025

Molecular Simulation of Functionalized Covalent Organic Framework Membranes for Inorganic Salt Separation

Covalent organic frameworks (COFs) enable molecular-level design of nanochannels for selective separation in pressure-driven membrane processes. Through variation of building blocks and, subsequently, the pore structure and chemistry, membrane performance can be tailored. This study employs nonequilibrium molecular dynamics simulations to theoretically demonstrate the tunable selectivity of COF membranes through a bottom-up functionalization approach. Water and salt transport are evaluated for six β-ketoenamine-linked COFs with varying multilayer thicknesses. For the thinnest multilayer (0.64–0.72 nm), all COFs exhibit low sodium sulfate (Na 2 SO 4 ) rejection (55–66%). However, 20 stacked sheets (6.4–7.2 nm) provide 67–98% rejection, with the sulfonated COF providing the highest Na 2 SO 4 rejection. Analysis of time-resolved ion density profiles reveals that solute rejection is primarily governed by interfacial exclusion arising from pore size and functional group chemistry. Although increasing salt rejection compromises water permeance, the permeance of all COF membranes is at least two orders of magnitude greater than that of a commercially available nanofiltration membrane. Overall, this work guides the rational design of COF membranes for aqueous salt separation.

Nanofiltration↗
DOE OSTI2024

Generating Euler Diagrams Through Combinatorial Optimization

Abstract Can a given set system be drawn as an Euler diagram? We present the first method that correctly decides this question for arbitrary set systems if the Euler diagram is required to represent each set with a single connected region. If the answer is yes, our method constructs an Euler diagram. If the answer is no, our method yields an Euler diagram for a simplified version of the set system, where a minimum number of set elements have been removed. Further, we integrate known wellformedness criteria for Euler diagrams as additional optimization objectives into our method. Our focus lies on the computation of a planar graph that is embedded in the plane to serve as the dual graph of the Euler diagram. Since even a basic version of this problem is known to be NP‐hard, we choose an approach based on integer linear programming (ILP), which allows us to compute optimal solutions with existing mathematical solvers. For this, we draw upon previous research on computing planar supports of hypergraphs and adapt existing ILP building blocks for contiguity‐constrained spatial unit allocation and the maximum planar subgraph problem. To generate Euler diagrams for large set systems, for which the proposed simplification through element removal becomes indispensable, we also present an efficient heuristic. We report on experiments with data from MovieDB and Twitter. Over all examples, including 850 non‐trivial instances, our exact optimization method failed only for one set system to find a solution without removing a set element. However, with the removal of only a few set elements, the Euler diagrams can be substantially improved with respect to our wellformedness criteria.

Computer Science↗
NASA NTRS2019

Space-Based Observations for Understanding Changes in the Arctic-Boreal Zone

Observations taken over the last few decades indicate that dramatic changes are occurring in the ArcticBoreal Zone (ABZ), which are having significant impacts on ABZ inhabitants, infrastructure, flora and fauna, and economies. While suitable for detecting overall change, the current capability is inadequate for systematic monitoring and for improving process based and large scale understanding of the integrated components of the ABZ, which includes the cryosphere, biosphere, hydrosphere, and atmosphere. Such knowledge will lead to improvements in Earth system models, enabling more accurate prediction of future changes and development of informed adaptation and mitigation strategies. In this article, we review the strengths and limitations of current space based observational capabilities for several important ABZ components and make recommendations for improving upon these current capabilities. We recommend an interdisciplinary and stepwise approach to develop a comprehensive ABZ Observing Network (ABZON), beginning with an initial focus on observing networks designed to gain process based understanding for individual ABZ components and systems that can then serve as the building blocks for a comprehensive ABZON.

Bryan N Duncan↗
NASA NTRS1993

Dryden lectureship in research, a perspective on CFD validation

A comprehensive approach to CFD validation is presented. Requirements from computational and experimental perspectives are given. Experimental validation is emphasized because it ultimately determines the accuracy of CFD modeling and its application to complex problems. The concepts of building block and benchmark experiments are introduced. The types of measurements required of these experiments and their accuracy determination are explained. Contributions from such experiments toward the development and validation of CFD are reviewed and examples provided. Future challenges and strategies for validation are discussed.

Marvin, Joseph G.↗
NASA NTRS2003

Using Proteins to Build Nanocomputers

How low can we go? This is the question challenging scientists who want to build ever-smaller electronic components. As famed physicist Richard Feynmann said in 1959, 'there is plenty of room at the bottom,' meaning at the atomic or nanometric scale. But even Feynmann could only guess at how we might eventually build things 'down there.' As current lithographic techniques for etching semiconductor circuits rapidly approach their physical limits, scientists are looking for new and less expensive ways to fabricate circuits at infinitesimally small scales. NASA scientists have discovered a new tool that may help accomplish this goal - proteins. The basic building blocks of life may be harnessed to build computers and sensors on the nanoscale. Proteins provide self-assembling structures that can be engineered to build ordered arrays of quantum dots.

Laufenberg, Larry↗