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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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NASA NTRS1997

A Performance Comparison of Pulsed Plasma Thruster Electrode Configurations

Pulsed plasma thrusters are currently planned on two small satellite missions and proposed for a third. In these missions, the pulsed plasma thruster's unique characteristics will be used variously to provide propulsive attitude control, orbit raising, translation, and precision positioning. Pulsed plasma thrusters are attractive for small satellite applications because they are essentially stand alone devices which eliminate the need for toxic and/or distributed propellant systems. Pulsed plasma thrusters also operate at low power and over a wide power range without loss of performance. As part of the technical development required for the noted missions, an experimental program to optimize performance with respect to electrode configuration was undertaken. One of the planned missions will use pulsed plasma thrusters for orbit raising requiring relatively high thrust and previously tested configurations did not provide this. Also, higher capacitor energies were tested than previously tried for this mission. Multiple configurations were tested and a final configuration was selected for flight hardware development. This paper describes the results of the electrode optimization in detail.

Arrington, Lynn A.↗

NASA NTRS2008

Nano-Engineered Catalysts for Direct Methanol Fuel Cells

Nano-engineered catalysts, and a method of fabricating them, have been developed in a continuing effort to improve the performances of direct methanol fuel cells as candidate power sources to supplant primary and secondary batteries in a variety of portable electronic products. In order to realize the potential for high energy densities (as much as 1.5 W h/g) of direct methanol fuel cells, it will be necessary to optimize the chemical compositions and geometric configurations of catalyst layers and electrode structures. High performance can be achieved when catalyst particles and electrode structures have the necessary small feature sizes (typically of the order of nanometers), large surface areas, optimal metal compositions, high porosity, and hydrophobicity. The present method involves electrodeposition of one or more catalytic metal(s) or a catalytic-metal/polytetrafluoroethylene nanocomposite on an alumina nanotemplate. The alumina nanotemplate is then dissolved, leaving the desired metal or metal/polytetrafluoroethylene-composite catalyst layer. Unlike some prior methods of making fine metal catalysts, this method does not involve processing at elevated temperature; all processing can be done at room temperature. In addition, this method involves fewer steps and is more amenable to scaling up for mass production. Alumina nanotemplates are porous alumina membranes that have been fabricated, variously, by anodizing either pure aluminum or aluminum that has been deposited on silicon by electronbeam evaporation. The diameters of the pores (7 to 300 nm), areal densities of pores (as much as 7 x 10(exp 10)sq cm), and lengths of pores (up to about 100 nm) can be tailored by selection of fabrication conditions. In a given case, the catalytic metal, catalytic metal alloy, or catalytic metal/ polytetrafluoroethylene composite is electrodeposited in the pores of the alumina nanotemplate. The dimensions of the pores, together with the electrodeposition conditions, determine the sizes and surface areas of the catalytic particles. Hence, the small features and large surface areas of the porosity translate to the desired small particle size and large surface area of the catalyst (see figure). When polytetrafluoroethylene is included, it is for the purpose of imparting hydrophobicity in order to prevent water from impeding the desired diffusion of gases through the catalyst layer. To incorporate polytetrafluoroethylene into a catalytic-metal/polytetrafluoroethylene nanocomposite, one suspends polytetrafluoroethylene nanoparticles in the electrodeposition solution. The polytetrafluoroethylene content can be varied to obtain the desired degree of hydrophobicity and permeability by gas.

Myung, Nosang↗

DOE OSTI2023

Optimization of Marine Energy Conversion Systems Through Modeling, Optimization, and CHIL Validation

The work aims to achieve optimal tidal energy conversion through a comprehensive approach of modeling, optimization, and control hardware-in-the-loop (CHIL) validation. By developing accurate models and employing optimization techniques, it seeks to identify efficient system configurations and control strategies. HIL validation will ensure the performance and reliability of the optimized tidal energy conversion system. The preparation of the present manual has been supported by the U.S. Department of Energy.

16 TIDAL AND WAVE POWER↗

DOE OSTI2016

Li-ion site disorder driven superionic conductivity in solid electrolytes: a first-principles investigation of β-Li 3 PS 4

The attractive safety and long-term stability of all solid-state batteries has added a new impetus to the discovery and development of solid electrolytes for lithium batteries. Recently several superionic lithium conducting solid electrolytes have been discovered. All the superionic lithium containing compounds (β-Li 3 PS 4 and Li 10 GeP 2 S 12 and oxides, predominantly in the garnet phase) have partially occupied sites. This naturally begs the question of understanding the role of partial site occupancies (or site disorder) in optimizing ionic conductivity in these family of solids. In this paper, we find that for a given topology of the host lattice, maximizing the number of sites with similar Li-ion adsorption energies, which gives partial site occupancy, is a natural way to increase the configurational entropy of the system and optimize the conductivity. For a given topology and density of Li-ion adsorption sites, the ionic conductivity is maximal when the number of mobile Li-ions are equal to the number of mobile vacancies, also the very condition for achieving maximal configurational entropy. We demonstrate applicability of this principle by elucidating the role of Li-ion site disorder and the local chemical environment in the high ionic conductivity of β-Li 3 PS 4 . In addition, for β-Li 3 PS 4 we find that a significant density of vacancies in the Li-ion sub-lattice (~25%) leads to sub-lattice melting at (~600 K) leading to a molten form for the Li-ions in an otherwise solid anionic host. This gives a lithium site occupancy that is similar to what is measured experimentally. We further show that quenching this disorder can improve conductivity at lower temperatures. As a consequence, we discover that (a) one can optimize ionic conductivity in a given topology by choosing a chemistry/composition that maximizes the number of mobile-carriers i.e. maximizing both mobile Li-ions and vacancies, and (b) when the concentration of vacancies becomes significant in the Li-ion sub-lattice, it becomes energetically as well as entropically favorable for it to remain molten well below the bulk decomposition temperature of the solid. Finally, this principle may already apply to several known superionic conducting solids.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

A cautionary tale: Problems in the valence-CASSCF description of the ground state (X1Σ+) of BF

In the full optimized reaction space and valence-complete active space self-consistent field (vCAS) methods, a set of active orbitals is defined as the union of the valence orbitals on the atoms, all possible configurations involving the active orbitals are generated, and the orbitals and configuration coefficients are self-consistently optimized. Such wave functions have tremendous flexibility, which makes these methods incredibly powerful but can also lead to inconsistencies in the description of the electronic structure of molecules. In this paper, the problems that can arise in vCAS calculations are illustrated by calculations on the BH and BF molecules. BH is well described by the full vCAS wave function, which accounts for molecular dissociation and 2s–2p near-degeneracy in the boron atom. The same is not true for the full vCAS wave function for BF. There is mixing of core and active orbitals at short internuclear distances and swapping of core and active orbitals at large internuclear distances. In addition, the virtual 2π orbitals, which were included in the active space to account for the 2s–2p near degeneracy effect, are used instead to describe radial correlation of the electrons in the F2pπ-like pairs. Although the above changes lead to lower vCAS energies, they lead to higher vCAS+1+2 energies as well as irregularities and/or discontinuities in the potential energy curves. All of the above problems can be addressed by using the spin-coupled generalized valence bond-inspired vCAS wave function for BF, which includes only a subset of the atomic valence orbitals in the active space.

Xu, Lu T. (ORCID:0000000182064902)↗

DOE OSTI2025

Automated shaker placement and regularized input estimation for MIMO testing.

Multi-input, multi-output (MIMO) testing is used in component qualification to reproduce operational responses in the laboratory. It is often preferred to single-input and base-shake testing because of the potential for equivalent or better tests using smaller actuators and shorter test suites. Given a target response, two key steps in MIMO test design are selecting actuator locations and solving for input loads. Actuator locations are often manually selected using expert judgment. If an automatic method is used, locations are usually determined by simulating the vibration control problem and minimizing a combination of the input energy and control residuals. To select a configuration, the relative importance of input energy and residuals must be specified. Specifying relative weights is, in general, a manual and subjective process. This paper develops an objective function that compares actuator configurations based on control accuracy and required input energy without any manual parameter tuning. The objective function uses an optimally selected tradeoff parameter for each candidate configuration. To choose actuator locations using the new objective function, a pivoting algorithm for integer programming problems is developed. Starting with an initial configuration (such as the one generated by a greedy algorithm), the pivoting algorithm guarantees an objective function decrease in each iteration until convergence is reached. In a simulation featuring a structure excited by a diffuse acoustic field, electrodynamic shaker locations and regularized inputs are solved for without any analyst-specified parameters. Simulations are performed in MIMO configurations where the number of target responses is less than, equal to, and greater than the number of actuators.

Multi-input multi-output↗

NASA NTRS1992

Improving the efficiency of aerodynamic shape optimization procedures

The computational efficiency of an aerodynamic shape optimization procedure which is based on discrete sensitivity analysis is increased through the implementation of two improvements. The first improvement involves replacing a grid point-based approach for surface representation with a Bezier-Bernstein polynomial parameterization of the surface. Explicit analytical expressions for the grid sensitivity terms are developed for both approaches. The second improvement proposes the use of Newton's method in lieu of an alternating direction implicit (ADI) methodology to calculate the highly converged flow solutions which are required to compute the sensitivity coefficients. The modified design procedure is demonstrated by optimizing the shape of an internal-external nozzle configuration. A substantial factor of 8 decrease in computational time for the optimization process was achieved by implementing both of the design improvements.

Burgreen, Greg W.↗

NASA NTRS2000

An Enhanced Multi-Objective Optimization Technique for Comprehensive Aerospace Design

An enhanced multiobjective formulation technique, capable of emphasizing specific objective functions during the optimization process, has been demonstrated on a complex multidisciplinary design application. The Kreisselmeier-Steinhauser (K-S) function approach, which has been used successfully in a variety of multiobjective optimization problems, has been modified using weight factors which enables the designer to emphasize specific design objectives during the optimization process. The technique has been implemented in two distinctively different problems. The first is a classical three bar truss problem and the second is a high-speed aircraft (a doubly swept wing-body configuration) application in which the multiobjective optimization procedure simultaneously minimizes the sonic boom and the drag-to-lift ratio (C(sub D)/C(sub L)) of the aircraft while maintaining the lift coefficient within prescribed limits. The results are compared with those of an equally weighted K-S multiobjective optimization. Results demonstrate the effectiveness of the enhanced multiobjective optimization procedure.

Chattopadhyay, Aditi↗

NASA NTRS2018

Second-Generation Design of Micro-Spec: A Medium-Resolution, Submillimeter-Wavelength Spectrometer-on-a-Chip

Micro-Spec (μ-Spec) is a direct-detection spectrometer which integrates all the components of a diffraction-grating spectrometer onto a ∼10-cm2 chip through the use of superconducting microstrip transmission lines on a single-crystal silicon substrate. A second-generation μ-Spec is being designed to operate with a spectral resolution of 512 in the submillimeter (500-1000 μm, 300-600 GHz) wavelength range, a band of interest for several spectroscopic applications in astrophysics. High altitude balloon missions would provide the first test bed to demonstrate the μ-Spec technology in a space-like environment and would be an economically viable venue for multiple observation campaigns. This work reports on the current status of the instrument design and will provide a brief overview of each instrument subsystem. Particular emphasis will be given to the design of the spectrometer's two-dimensional diffractive region, through which the light of different wavelengths is focused on the detectors along the focal plane. An optimization process is employed to generate geometrical configurations of the diffractive region that satisfy specific requirements on spectrometer size, operating spectral range, and performance. An optical design optimized for balloon missions will be presented in terms of geometric layout, spectral purity, and efficiency.

Cataldo, G.↗

NASA NTRS1994

Portable parallel stochastic optimization for the design of aeropropulsion components

This report presents the results of Phase 1 research to develop a methodology for performing large-scale Multi-disciplinary Stochastic Optimization (MSO) for the design of aerospace systems ranging from aeropropulsion components to complete aircraft configurations. The current research recognizes that such design optimization problems are computationally expensive, and require the use of either massively parallel or multiple-processor computers. The methodology also recognizes that many operational and performance parameters are uncertain, and that uncertainty must be considered explicitly to achieve optimum performance and cost. The objective of this Phase 1 research was to initialize the development of an MSO methodology that is portable to a wide variety of hardware platforms, while achieving efficient, large-scale parallelism when multiple processors are available. The first effort in the project was a literature review of available computer hardware, as well as review of portable, parallel programming environments. The first effort was to implement the MSO methodology for a problem using the portable parallel programming language, Parallel Virtual Machine (PVM). The third and final effort was to demonstrate the example on a variety of computers, including a distributed-memory multiprocessor, a distributed-memory network of workstations, and a single-processor workstation. Results indicate the MSO methodology can be well-applied towards large-scale aerospace design problems. Nearly perfect linear speedup was demonstrated for computation of optimization sensitivity coefficients on both a 128-node distributed-memory multiprocessor (the Intel iPSC/860) and a network of workstations (speedups of almost 19 times achieved for 20 workstations). Very high parallel efficiencies (75 percent for 31 processors and 60 percent for 50 processors) were also achieved for computation of aerodynamic influence coefficients on the Intel. Finally, the multi-level parallelization strategy that will be needed for large-scale MSO problems was demonstrated to be highly efficient. The same parallel code instructions were used on both platforms, demonstrating portability. There are many applications for which MSO can be applied, including NASA's High-Speed-Civil Transport, and advanced propulsion systems. The use of MSO will reduce design and development time and testing costs dramatically.

Sues, Robert H.↗

NASA NTRS2019

Second-Generation Micro-Spec: A Compact Spectrometer for Far-Infrared and Submillimeter Space Missions

Micro-Spec is a direct-detection spectrometer which integrates all the components of a diffraction-grating spectrometer onto a ≈ 10-sq.cm chip through the use of superconducting microstrip transmission lines on a single- crystal silicon substrate. The second generation of Micro-Spec is being designed to operate with a spectral re- solution of at least 512 in the far-infrared and submillimeter (420–540 GHz, 714–555 μm) wavelength range, a band of interest for NASA's experiment for cryogenic large-aperture intensity mapping called EXCLAIM. EXCLAIM will be a balloon-borne telescope that is being designed to map the emission of redshifted carbon monoxide and singly-ionized carbon lines over a redshift range 0 < z < 3.5 and it will be the first demonstration of the Micro-Spec technology in a space-like environment. This work reviews the status of the Micro-Spec design for the EXCLAIM telescope, with emphasis on the spectrometer's two-dimensional diffractive region, through which light of different wavelengths is focused on kinetic inductance detectors along the instrument focal plane. An optimization process is used to generate a geometrical configuration of the diffractive region that satisfies l range and performance. An initial optical design optimized for n terms of geometric layout, spectral purity and efficiency.

Cataldo, Giuseppe↗

NASA NTRS2006

Rapid Assessment of Aircraft Structural Topologies for Multidisciplinary Optimization and Weight Estimation

Algorithms for rapid generation of moderate-fidelity structural finite element models of air vehicle structures to allow more accurate weight estimation earlier in the vehicle design process have been developed. Application of these algorithms should help to rapidly assess many structural layouts before the start of the preliminary design phase and eliminate weight penalties imposed when actual structure weights exceed those estimated during conceptual design. By defining the structural topology in a fully parametric manner, the structure can be mapped to arbitrary vehicle configurations being considered during conceptual design optimization. Recent enhancements to this approach include the porting of the algorithms to a platform-independent software language Python, and modifications to specifically consider morphing aircraft-type configurations. Two sample cases which illustrate these recent developments are presented.

Samareh, Jamshid A.↗

DOE OSTI2025

TEX-Chlorine Assemblies: Highly Enriched Uranium Plates with Sodium Chloride Absorbers Using Polyethylene Moderator and Polyethylene Reflector

This evaluation documents highly enriched uranium (HEU) experimental critical configurations with polyethylene moderators and sodium chloride absorbers conducted as part of the United States Nuclear Criticality Safety Program’s Thermal/Epithermal eXperiments (TEX) program. HEU-MET-MIXED-021 provides the benchmark evaluation of five TEX experiments designed to establish baseline configurations with HEU Jemima plates moderated by high density polyethylene (HDPE). The TEX-HEU experiments were designed to cover five different fission energy regimes by varying the thickness of the interstitial HDPE moderator, with varying fractions of thermal, intermediate, and fast fissions, and to be easily modified to accommodate test materials of interest. HEU-MET-INTER-013 documents the first TEX-HEU variation, incorporating hafnium in seven different experimental configurations. This evaluation covers an additional variant that incorporates absorber plates of compacted high-purity sodium chloride salt. These experiments were motivated by a criticality safety need for validation data for uranium purification by means of electrorefining with chloride salts, especially thermal and intermediate energy configurations resulting from moderator upset conditions, and their design was optimized by matching sensitivity profiles from application cases. All three experimental configurations are judged to be acceptable as benchmark cases. The main parameter varied between the configurations is the thickness of the polyethylene moderators and the sodium chloride absorbers between the HEU plates. Varying the thickness of the polyethylene tunes the neutron energy spectrum between majority thermal (Case 1 and 2) and intermediate (Case 3). The fission fractions, presented in Table 1, are determined calculationally. Case 3 is cross listed as HEU-MET-INTER-014.

42 ENGINEERING↗

NASA NTRSDate not supplied

Aeroelastic Trim Drag Optimization of Mach 0.745 Transonic Truss-Braced Wing Aircraft with Variable-Camber Continuous Trailing-Edge Flap

This paper presents an aeroelastic trim drag optimization study of the Mach 0.745 Transonic Truss-Braced Wing (TTBW) aircraft with the Variable-Camber Continuous Trailing-Edge Flap (VCCTEF). An aero-structural analysis solver VSPAERO with transonic small disturbance, integral boundary-layer, and wing-strut interference corrections coupled to finite-element code BEAM3D is developed to provide a rapid aircraft aeroelastic performance evaluation. The VSPAERO model has been validated against wind tunnel test data. Aeroelastic trim drag optimization studies are conducted for a VCCTEF configuration with 6-spanwise sections. Three different flight conditions corresponding to Mach 0.745 are selected for the TTBW aircraft aeroelastic trim drag optimization at the design and off-design cruise lift coefficients. The preliminary optimization results show that the TTBW aircraft with the optimized VCCTEF deflection achieves a drag reduction of about 9.1 counts, 5.9 counts, and 11.8 counts corresponding to the lift coefficients 0.68, 0.73, and 0.78, respectively. A high-fidelity CFD solver FUN3D is used to validate the aeroelastic trim drag optimization.

Aeroelastic trim drag↗

NASA NTRS1998

High-Lift Optimization Design Using Neural Networks on a Multi-Element Airfoil

The high-lift performance of a multi-element airfoil was optimized by using neural-net predictions that were trained using a computational data set. The numerical data was generated using a two-dimensional, incompressible, Navier-Stokes algorithm with the Spalart-Allmaras turbulence model. Because it is difficult to predict maximum lift for high-lift systems, an empirically-based maximum lift criteria was used in this study to determine both the maximum lift and the angle at which it occurs. Multiple input, single output networks were trained using the NASA Ames variation of the Levenberg-Marquardt algorithm for each of the aerodynamic coefficients (lift, drag, and moment). The artificial neural networks were integrated with a gradient-based optimizer. Using independent numerical simulations and experimental data for this high-lift configuration, it was shown that this design process successfully optimized flap deflection, gap, overlap, and angle of attack to maximize lift. Once the neural networks were trained and integrated with the optimizer, minimal additional computer resources were required to perform optimization runs with different initial conditions and parameters. Applying the neural networks within the high-lift rigging optimization process reduced the amount of computational time and resources by 83% compared with traditional gradient-based optimization procedures for multiple optimization runs.

Greenman, Roxana M.↗

NASA NTRS1993

Applying design principles to fusion reactor configurations for propulsion in space

The application of fusion power to space propulsion requires rethinking the engineering-design solution to controlled-fusion energy. Whereas the unit cost of electricity (COE) drives the engineering-design solution for utility-based fusion reactor configurations; initial mass to low earth orbit (IMLEO), specific jet power (kW(thrust)/kg(engine)), and reusability drive the engineering-design solution for successful application of fusion power to space propulsion. We applied three design principles (DP's) to adapt and optimize three candidate-terrestrial-fusion-reactor configurations for propulsion in space. The three design principles are: provide maximum direct access to space for waste radiation, operate components as passive radiators to minimize cooling-system mass, and optimize the plasma fuel, fuel mix, and temperature for best specific jet power. The three candidate terrestrial fusion reactor configurations are: the thermal barrier tandem mirror (TBTM), field reversed mirror (FRM), and levitated dipole field (LDF). The resulting three candidate space fusion propulsion systems have their IMLEO minimized and their specific jet power and reusability maximized. We performed a preliminary rating of these configurations and concluded that the leading engineering-design solution to space fusion propulsion is a modified TBTM that we call the Mirror Fusion Propulsion System (MFPS).

Carpenter, Scott A.↗

NASA NTRS2013

Elastically Shaped Wing Optimization and Aircraft Concept for Improved Cruise Efficiency

This paper presents the findings of a study conducted tn 2010 by the NASA Innovation Fund Award project entitled "Elastically Shaped Future Air Vehicle Concept". The study presents three themes in support of meeting national and global aviation challenges of reducing fuel burn for present and future aviation systems. The first theme addresses the drag reduction goal through innovative vehicle configurations via non-planar wing optimization. Two wing candidate concepts have been identified from the wing optimization: a drooped wing shape and an inflected wing shape. The drooped wing shape is a truly biologically inspired wing concept that mimics a seagull wing and could achieve about 5% to 6% drag reduction, which is aerodynamically significant. From a practical perspective, this concept would require new radical changes to the current aircraft development capabilities for new vehicles with futuristic-looking wings such as this concept. The inflected wing concepts could achieve between 3% to 4% drag reduction. While the drag reduction benefit may be less, the inflected-wing concept could have a near-term impact since this concept could be developed within the current aircraft development capabilities. The second theme addresses the drag reduction goal through a new concept of elastic wing shaping control. By aeroelastically tailoring the wing shape with active control to maintain optimal aerodynamics, a significant drag reduction benefit could be realized. A significant reduction in fuel burn for long-range cruise from elastic wing shaping control could be realized. To realize the potential of the elastic wing shaping control concept, the third theme emerges that addresses the drag reduction goal through a new aerodynamic control effector called a variable camber continuous trailing edge flap. Conventional aerodynamic control surfaces are discrete independent surfaces that cause geometric discontinuities at the trailing edge region. These discontinuities promote vorticities which result in drag rises as well as noise sources. The variable camber trailing edge flap concept could provide a substantial drag reduction benefit over a conventional discrete flap system. Aerodynamic simulations show a drag reduction of over 50% could be achieved with the flap concept over a conventional discrete flap system.

Nguyen, Nhan↗

DOE OSTI2021

Learning with Delayed Rewards—A Case Study on Inverse Defect Design in 2D Materials

Defect dynamics in materials are of central importance to a broad range of technologies from catalysis to energy storage systems to microelectronics. Material functionality depends strongly on the nature and organization of defects-their arrangements often involve intermediate or transient states that present a high barrier for transformation. The lack of knowledge of these intermediate states and the presence of this energy barrier presents a serious challenge for inverse defect design, especially for gradient-based approaches. Here, we present a reinforcement learning (RL) [Monte Carlo Tree Search (MCTS)] based on delayed rewards that allow for efficient search of the defect configurational space and allows us to identify optimal defect arrangements in low-dimensional materials. Using a representative case of two-dimensional MoS 2 , we demonstrate that the use of delayed rewards allows us to efficiently sample the defect configurational space and overcome the energy barrier for a wide range of defect concentrations (from 1.5 to 8% S vacancies)-the system evolves from an initial randomly distributed S vacancies to one with extended S line defects consistent with previous experimental studies. Detailed analysis in the feature space allows us to identify the optimal pathways for this defect transformation and arrangement. Comparison with other global optimization schemes like genetic algorithms suggests that the MCTS with delayed rewards takes fewer evaluations and arrives at a better quality of the solution. The implications of the various sampled defect configurations on the 2H to 1T phase transitions in MoS 2 are discussed. In this study, we introduce a RL strategy employing delayed rewards that can accelerate the inverse design of defects in materials for achieving targeted functionality.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗