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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
NASA NTRS2011

Should Pruning be a Pre-Processor of any Linear System?

There are many real-world problems whose mathematical models turn out to be linear systems Ax = b , where A is an m by x n matrix. Each equation of the linear system is an information. An information, in a physical problem, such as 4 mangoes, 6 bananas, and 5 oranges cost $10, is mathematically modeled as 4x(sub 1) + 6x(sub 2) + 5x (sub 3) = 10, where x(sub 1), x(sub 2), x(sub 3) are each cost of one mango, that of one banana, and that of one orange, respectively. All the information put together in a specified context, constitutes the physical problem and need not be all distinct. Some of these could be redundant, which cannot be readily identified by inspection. The resulting mathematical model will thus have equations corresponding to this redundant information and hence are linearly dependent and thus superfluous. Consequently, these equations once identified should be better pruned in the process of solving the system. The benefits are (i) less computation and hence less error and consequently a better quality of solution and (ii) reduced storage requirements. In literature, the pruning concept is not in vogue so far although it is most desirable. In a numerical linear system, the system could be slightly inconsistent or inconsistent of varying degree. If the system is too inconsistent, then we should fall back on to the physical problem (PP), check the correctness of the PP derived from the material universe, modify it, if necessary, and then check the corresponding mathematical model (MM) and correct it. In nature/material universe, inconsistency is completely nonexistent. If the MM becomes inconsistent, it could be due to error introduced by the concerned measuring device and/or due to assumptions made on the PP to obtain an MM which is relatively easily solvable or simply due to human error. No measuring device can usually measure a quantity with an accuracy greater that 0.005% or, equivalently with a relative error less than 0.005%. Hence measurement error is unavoidable in a numerical linear system when the quantities are continuous (or even discrete with extremely large number). Assumptions, though not desirable, are usually made when we find the problem sufficiently difficult to be solved within the available means/tools/resources and hence distort the PP and the corresponding MM. The error thus introduced in the system could (not always necessarily though) make the system somewhat inconsistent. If the inconsistency (contradiction) is too much then one should definitely not proceed to solve the system in terms of getting a least-squares solution or a minimum norm solution or the minimum-norm least-squares solution. All these solutions will be invariably of no real-world use. If, on the other hand, inconsistency is reasonably low, i.e. the system is near-consistent or, equivalently, has near-linearly-dependent rows, then the foregoing solutions are useful. Pruning in such a near-consistent system should be performed based on the desired accuracy and on the definition of near-linear dependence. In this article, we discuss pruning over various kinds of linear systems and strongly suggest its use as a pre-processor or as a part of an algorithm. Ideally pruning should (i) be a part of the solution process (algorithm) of the system, (ii) reduce both computational error and complexity of the process, and (iii) take into account the numerical zero defined in the context. These are precisely what we achieve through our proposed O(mn2) algorithm presented in Matlab, that uses a subprogram of solving a single linear equation and that has embedded in it the pruning.

Sen, Syamal K.↗
NASA NTRS2011

Should Pruning be a Pre-Processor of any Linear System?

There are many real-world problems whose mathematical models turn out to be linear systems Ax = b, where A is an m x n matrix. Each equation of the linear system is an information. An information, in a physical problem, such as 4 mangoes, 6 bananas, and 5 oranges cost $10, is mathematically modeled as an equation 4x(sub 1) + 6x(sub 2) + 5x(sub 3) = 10 , where x(sub 1), x(sub 2), x(sub 3) are each cost of one mango, that of one banana, and that of one orange, respectively. All the information put together in a specified context, constitutes the physical problem and need not be all distinct. Some of these could be redundant, which cannot be readily identified by inspection. The resulting mathematical model will thus have equations corresponding to this redundant information and hence are linearly dependent and thus superfluous. Consequently, these equations once identified should be better pruned in the process of solving the system. The benefits are (i) less computation and hence less error and consequently a better quality of solution and (ii) reduced storage requirements. In literature, the pruning concept is not in vogue so far although it is most desirable. It is assumed that at least one information, i.e. one equation is known to be correct and which will be our first equation. In a numerical linear system, the system could be slightly inconsistent or inconsistent of varying degree. If the system is too inconsistent, then we should fall back on to the physical problem (PP), check the correctness of the PP derived from the material universe, modify it, if necessary, and then check the corresponding mathematical model (MM) and correct it. In nature/material universe, inconsistency is completely nonexistent. If the MM becomes inconsistent, it could be due to error introduced by the concerned measuring device and/or due to assumptions made on the PP to obtain an MM which is relatively easily solvable or simply due to human error. No measuring device can usually measure a quantity with an accuracy greater that 0.005% or, equivalently with a relative error less than 0.005%. Hence measurement error is unavoidable in a numerical linear system when the quantities are continuous (or even discrete with extremely large number). Assumptions, though not desirable, are usually made when we find the problem sufficiently difficult to be solved within the available means/tools/resources and hence distort the PP and the corresponding MM. The . error thus introduced in the system could (not always necessarily though) make the system somewhat inconsistent. If the inconsistency (contradiction) is too much then one should definitely not proceed to solve the system in terms of getting a least-squares solution or the minimum-norm least-squares solution. All these solutions will be invariably of no real-world use. If, on the other hand, inconsistency is reasonably low, i.e. the system is near-consistent or, equivalently, has near-linearly-dependent rows, then the foregoing solutions are useful. Pruning in such a near-consistent system should be performed based on the desired accuracy and on the definition of near-linear dependence. In this article, we discuss pruning over various kinds of linear systems and strongly suggest its use as a pre-processor or as a part of an algorithm. Ideally pruning should (i) be a part of the solution process (algorithm) of the system, (ii) reduce both computational error and complexity of the process, and (iii) take into account the numerical zero defined in the context. These are precisely what we achieve through our proposed O(mn2) algorithm presented in Matlab, that uses a subprogram of solving a single linear equation and that has embedded in it the pruning.

Sen, Syamal K.↗
NASA NTRS2001

Automation of a N-S S and C Database Generation for the Harrier in Ground Effect

A method of automating the generation of a time-dependent, Navier-Stokes static stability and control database for the Harrier aircraft in ground effect is outlined. Reusable, lightweight components arc described which allow different facets of the computational fluid dynamic simulation process to utilize a consistent interface to a remote database. These components also allow changes and customizations to easily be facilitated into the solution process to enhance performance, without relying upon third-party support. An analysis of the multi-level parallel solver OVERFLOW-MLP is presented, and the results indicate that it is feasible to utilize large numbers of processors (= 100) even with a grid system with relatively small number of cells (= 10(exp 6)). A more detailed discussion of the simulation process, as well as refined data for the scaling of the OVERFLOW-MLP flow solver will be included in the full paper.

Murman, Scott M.↗
NASA NTRS2011

Preliminary Feasibility Testing of the BRIC Brine Water Recovery Concept

The Brine Residual In-Containment (BRIC) concept was developed as a new technology to recover water from spacecraft wastewater brines. Such capability is considered critical to closing the water loop and achieving a sustained human presence in space. The intention of the BRIC concept is to increase the robustness and efficiency of the dewatering process by performing drying inside the container used for the final disposal of the residual brine solid. Recent efforts in the development of BRIC have focused on preliminary feasibility testing using a laboratory- assembled pre-prototype unit. Observations of the drying behavior of actual brine solutions processed under BRIC-like conditions has been of particular interest. To date, experiments conducted with three types of analogue spacecraft wastewater brines have confirmed the basic premise behind the proposed application of in-place drying for these solutions. Specifically, the dried residual mass from these solutions have tended to exhibit characteristics of adhesion and flow that are expected to continue to challenge process stream management in spacecraft brine dewatering system designs. Yet, these same characteristics may favor the development of capillary- and surface-tension-based approaches envisioned as part of an ultimate microgravity-compatible BRIC design. In addition, preliminary feasibility testing of the BRIC pre-prototype confirmed that high rates of water recovery, up to 98% of the available brine water, may be possible while still removing the majority of the brine contaminants from the influent brine stream. These and other observations from testing are reported.

Callahan, Michael R.↗
NASA NTRS2012

Preliminary Feasibility Testing of the BRIC Brine Water Recovery Concept

The Brine Residual In-Containment (BRIC) concept is being developed as a new technology to recover water from spacecraft wastewater brines. Such capability is considered critical to closing the water loop and achieving a sustained human presence in space. The intention of the BRIC concept is to increase the robustness and efficiency of the dewatering process by performing drying inside the container used for the final disposal of the residual brine solid. Recent efforts in the development of BRIC have focused on preliminary feasibility testing using a laboratory- assembled pre-prototype unit. Observations of the drying behavior of actual brine solutions processed under BRIC-like conditions has been of particular interest. To date, experiments conducted with three types of analogue spacecraft wastewater brines have confirmed the basic premise behind the proposed application of in-place drying. Specifically, the dried residual mass from these solutions have tended to exhibit characteristics of adhesion and flow that are expected to continue to challenge process stream management designs typically used in spacecraft systems. Yet, these same characteristics may favor the development of capillary- and surface-tension-based approaches currently envisioned as part of an ultimate microgravity-compatible BRIC design. In addition, preliminary feasibility testing of the BRIC pre-prototype confirmed that high rates of water recovery, up to 98% of the available brine water, may be possible while still removing the majority of the brine contaminants from the influent brine stream. These and other early observations from testing are reported.

Callahan, Michael R.↗
DOE OSTI2025

Green solvent-processable poly(3-hexylthiophene) derivative maintains high hole mobility in diodes

The development of environmentally sustainable fabrication methods for organic solar cells (OSCs) is critical to enable their large-scale adoption. Conventional solution-processed OSCs often rely on halogenated, toxic solvents that pose health and environmental risks, limiting their scalability. This is because π-conjugated polymers tend to have a low solubility in non-halogenated solvents. A common strategy to enhance solubility in alternative solvents is through the incorporation of polar solubilizing groups, often on every repeat unit of at least one monomer. However, too many polar side chains tend to disrupt favorable morphology and decrease charge transport properties. In this study, we demonstrate that a minimal degree of side chain functionalization can improve green solvent processability while preserving electrical performance. We tested this hypothesis using our previously reported random copolymer derivative of poly(3-hexylthiophene) (P3HT) where ∼10 mol% of the side chains are 6-pentanoatehexyl side chains. We find that this low-level functionalization significantly broadens the solvents that can be used to process P3HT to less toxic solvents such as o-xylene and anisole. Furthermore, the copolymer processed from greener solvents showed high hole mobilities (∼10⁻ 3 cm 2 /Vs by the Space-Charge Limiting Current method in diodes), comparable to P3HT films cast from toxic chloroform. These findings suggest that minimal side-chain modification is a viable strategy for expanding green solvent compatibility while preserving electrical performance, paving the way toward more sustainable organic semiconductor designs.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Optimizing Perovskite Thin‐Film Parameter Spaces with Machine Learning‐Guided Robotic Platform for High‐Performance Perovskite Solar Cells

Abstract Simultaneously optimizing the processing parameters of functional thin films remains a challenge. The design and utilization of a fully automated platform called SPINBOT is presented for the engineering of solution‐processed functional thin films. The SPINBOT is capable of performing experiments with high sampling variability through the unsupervised processing of hundreds of substrates with exceptional experimental control. Through the iterative optimization process enabled by the Bayesian optimization (BO) algorithm, the SPINBOT explores an intricate parameter space, continuously improving the quality and reproducibility of the produced thin films. This machine learning (ML)‐guided reliable SPINBOT platform enables the acceleration of the optimization process of perovskite solar cells via a simple photoluminescence characterization of films. As a result, this study arrives at an optimal film that, when processed into a solar cell in an ambient atmosphere, immediately yields a champion power conversion efficiency (PCE) of 21.6% with satisfactory performance reproducibility. The unsealed devices retain 90% of their initial efficiency after 1100 h of continuous operation at 60–65 °C under metal‐halide lamps. It is anticipated that the integration of robotic platforms with the intelligent algorithm will facilitate the widespread adoption of effective autonomous experimentation to address the evolving needs and constraints within the materials science research community.

14 SOLAR ENERGY↗
NASA NTRS1979

Computations of unsteady transonic flow governed by the conservative full potential equation using an alternating direction implicit algorithm

A development was the time linearization of the density function. This linearization reduces the solution process from solving just a single equation. Two sample cases were computed. First, a one dimensional traveling shock wave was computed and compared with the analytic solution. Second, a two dimensional case was calculated for a flow field which resulted from a thickening and subsequently, thinning airfoil. The resulting flow field, which included a traveling shock wave, was compared to the flow field obtained from the low frequency, small disturbance, transonic equation.

Goorjian, P. M.↗
NASA NTRS1986

Free vibration characteristics of multiple load path blades by the transfer matrix method

The determination of free vibrational characteristics is basic to any dynamic design, and these characteristics can form the basis for aeroelastic stability analyses. Conventional helicopter blades are typically idealized as single-load-path blades, and the transfer matrix method is well suited to analyze such blades. Several current helicopter dynamic programs employ transfer matrices to analyze the rotor blades. In this paper, however, the transfer matrix method is extended to treat multiple-load-path blades, without resorting to an equivalent single-load-path approximation. With such an extension, these current rotor dynamic programs which employ the transfer matrix method can be modified with relative ease to account for the multiple load paths. Unlike the conventional blades, the multiple-load-path blades require the introduction of the axial degree-of-freedom into the solution process to account for the differential axial displacements of the different load paths. The transfer matrix formulation is validated through comparison with the finite-element solutions.

Murthy, V. R.↗
NASA NTRS2012

Method for exfoliation of hexagonal boron nitride

A new method is disclosed for the exfoliation of hexagonal boron nitride into mono- and few-layered nanosheets (or nanoplatelets, nanomesh, nanoribbons). The method does not necessarily require high temperature or vacuum, but uses commercially available h-BN powders (or those derived from these materials, bulk crystals) and only requires wet chemical processing. The method is facile, cost efficient, and scalable. The resultant exfoliated h-BN is dispersible in an organic solvent or water thus amenable for solution processing for unique microelectronic or composite applications.

Lin, Yi↗
DOE OSTI2023

Ultrahigh‐Flux X‐ray Detection by a Solution‐Grown Perovskite CsPbBr 3 Single‐Crystal Semiconductor Detector

Abstract Solution‐processed perovskites are promising for hard X‐ray and gamma‐ray detection, but there are limited reports on their performance under extremely intense X‐rays. Here, a solution‐grown all‐inorganic perovskite CsPbBr 3 single‐crystal semiconductor detector capable of operating at ultrahigh X‐ray flux of 10 10 photons s −1 mm −2 is reported. High‐quality solution‐grown CsPbBr 3 single crystals are fabricated into detectors with a Schottky diode structure of eutectic gallium indium/CsPbBr 3 /Au. A high reverse‐bias voltage of 1000 V (435 V mm − 1 ) can be applied with a small and stable dark current of ≈60–70 nA (≈9–10 nA mm − 2 ), which enables a high sensitivity larger than 10 000 µC Gy air −1 cm − 2 and a simultaneous low detection limit of 22 nGy air s − 1 . The CsPbBr 3 semiconductor detector shows an excellent photocurrent linearity and reproducibility under 58.61 keV synchrotron X‐rays with flux from 10 6 to 10 10 photons s − 1 mm − 2 . Defect characterization by thermally stimulated current spectroscopy shows a similar low defect density of a synchrotron X‐ray and a lab X‐ray irradiated device. Solid‐state nuclear magnetic resonance spectroscopy suggests that the excellent performance of the solution‐grown CsPbBr 3 single crystal may be associated with its good short‐range order, comparable to the spectrometer‐grade melt‐grown CsPbBr 3 .

Pan, Lei↗
NASA NTRS1993

Real-time dynamics and control strategies for space operations of flexible structures

This project (NAG9-574) was meant to be a three-year research project. However, due to NASA's reorganizations during 1992, the project was funded only for one year. Accordingly, every effort was made to make the present final report as if the project was meant to be for one-year duration. Originally, during the first year we were planning to accomplish the following: we were to start with a three dimensional flexible manipulator beam with articulated joints and with a linear control-based controller applied at the joints; using this simple example, we were to design the software systems requirements for real-time processing, introduce the streamlining of various computational algorithms, perform the necessary reorganization of the partitioned simulation procedures, and assess the potential speed-up realization of the solution process by parallel computations. The three reports included as part of the final report address: the streamlining of various computational algorithms; the necessary reorganization of the partitioned simulation procedures, in particular the observer models; and an initial attempt of reconfiguring the flexible space structures.

Park, K. C.↗
DOE OSTI2022

Metal-like Charge Transport in PEDOT(OH) Films by Post-processing Side Chain Removal from a Soluble Precursor Polymer

Herein, a route to produce highly electrically conductive doped hydroxymethyl functionalized poly(3,4-ethylenedioxythiophene) (PEDOT) films, termed PEDOT(OH) with metal-like charge transport properties using a fully solution processable precursor polymer is reported. Further, this is achieved via an ester-functionalized PEDOT derivative [PEDOT(EHE)] that is soluble in a range of solvents with excellent film-forming ability. PEDOT(EHE) demonstrates moderate electrical conductivities of 20–60 S cm -1 and hopping-like (i.e., thermally activated) transport when doped with ferric tosylate (FeTos 3 ). Upon basic hydrolysis of PEDOT(EHE) films, the electrically insulative side chains are cleaved and washed from the polymer film, leaving a densified film of PEDOT(OH). These films, when optimally doped, reach electrical conductivities of ≈1200 S cm -1 and demonstrate metal-like (i.e., thermally deactivated and band-like) transport properties and high stability at comparable doping levels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Ligand assisted growth of perovskite single crystals with low defect density

A low defect density in metal halide perovskite single crystals is critical to achieve high performance optoelectronic devices. Here we show the reduction of defect density in perovskite single crystals grown by a ligand-assisted solution process with 3-(decyldimethylammonio)-propane-sulfonate inner salt (DPSI) as an additive. DPSI ligands anchoring with lead ions on perovskite crystal surfaces not only suppress nucleation in solution, but also regulate the addition of proper ions to the growing surface, which greatly enhances the crystal quality. The grown CH 3 NH 3 PbI 3 crystals show better crystallinity and a 23-fold smaller trap density of 7 × 10 10 cm -3 than the optimized control crystals. The enhanced material properties result in significantly suppressed ion migration and superior X-ray detection sensitivity of CH 3 NH 3 PbI 3 detectors of (2.6 ± 0.4) × 10 6 µC Gy -1 air cm -2 for 60 kVp X-ray and the lowest detectable dose rate reaches (5.0 ± 0.7) nGy s -1 , which enables reduced radiation dose to patients in medical X-ray diagnostics.

36 MATERIALS SCIENCE↗
DOE OSTI2021

The efficacy of Lewis affinity scale metrics to represent solvent interactions with reagent salts in all-inorganic metal halide perovskite solutions

Solvents employed in the solution processing of metal halide perovskites are known to play a key role in defining the morphology and properties of the resulting thin film, and thus the performance of perovskite solar cell devices. Accurate metrics are needed that are capable of differentiating among candidates, finding solvents that adequately solubilize the various precursor species in solution and facilitate the nucleation and growth of these materials. Existing metrics such as the unsaturated Mayer bond order (UMBO) and the Gutmann donor number (DN) have been tested for lead iodide perovskite systems; but there has yet to be a comprehensive study on their transferability to lead-free perovskite solutions. Here, we use ab initio methods (density functional theory) and regression analysis tools to study the usefulness of DN and BF 3 affinity scales in this regard. We compared the relative effectiveness of these scales to describe interactions between solvents and BXn perovskite salts of lead (Pb 2+ ), tin (Sn 2+ and Sn 4+ ), germanium (Ge 2+ ), bismuth (Bi 3+ ), and antimony (Sb 3+ and Sb 5+ ). The DN proved to be a better representation than the BF 3 of such interactions, reflecting the closer similarity of these species to the “parent” SbCl 5 Lewis acid than to BF 3 . In addition, we have uncovered the usefulness of the lithium cation affinity metric (LCA) to describe the strength of interactions between solvents and A-site cations (e.g. Na + , K + , Rb + and Cs + ) in all-inorganic metal halide perovskite solutions. We find that the coordination strengths of solvents towards species in all-inorganic metal halide perovskite solutions are best described by two different metrics with distinct modes of action: DN differentiates among BX n salt complexes, and LCA among A-site cation species. This revelation can help guide the choice of solvent to optimize processing conditions. It also emphasizes the importance of selecting solvents whose DN and LCA optimize coordination to key Lewis acid species in all-inorganic perovskite solutions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1972

Stationary conditions for stochastic differential equations

This is a preliminary study of possible necessary and sufficient conditions to insure stationarity in the solution process for a stochastic differential equation. It indirectly sheds some light on ergodicity properties and shows that the spectral density is generally inadequate as a statistical measure of the solution. Further work is proceeding on a more general theory which gives necessary and sufficient conditions in a form useful for applications.

Adomian, G.↗
NASA NTRS1991

Freeze-drying for morphological control of high performance semi-interpenetrating polymer networks. III

The feasibility of using a freeze-drying (solvent removal by sublimation) approach for controlling the morphology of a high-performance semi-IPN is assessed. A high-performance thermoplastic polyimide and commercially available 4,4'-bismaleimide diphenylenemethane were dissolved in a solvent, 1,3,5-trioxane. The solvent was removed from the constituents by freeze-drying. For purposes of comparison, the constituents were dissolved in a high-boiling-point solvent, N,N-dimethylformamide. The solvent was removed from the solution by evaporation. The physical and mechanical properties and phase morphology of the neat resins and composites prepared by freeze-drying and traditional solution methods are presented and compared. It is concluded that the TG is higher and that the magnitude of minor constituent separation is less in the freeze-dry processed materials than for the processed solution.

Hsiung, H. J.↗
NASA NTRS2000

Reduction of Effective Acceleration to Microgravity Levels

Acceleration due to earth's gravity causes buoyancy driven convection and sedimentation in solutions. In addition. pressure gradients occur as a function of the height within a liquid column. Hence gravity effects both equilbria conditions and phase transitions as a result of hydrostatic pressure gradients. The affect of gravity on the rate of heat and man transfer in solutal processes can be particularly important in polymer processing due to the high sensitivity of polymeric materials to processing conditions. The term microgravity has been coined to describe an environment in which the affects of gravitational acceleration am greatly reduced. It may seem odd to talk in term of reducing the effects of gravitational acceleration since gravitational attraction is a basic property of matter. However, die presence of gravity on in situ processing or measurements can be negated by achieving conditions in which the laboratory, or more specifically the container of the experimental materials, a subjected to the same acceleration as the materials themselves. With regard to the laboratory reference frame, there is virtually no force on the experimental solutions. This is difficult to achieve but can be done. A short review of Newtonian physics provides an explanation on both how processes we affected by gravity and how microgravity conditions are achieved. The fact that fluids deform when subject to a force bid solids do not indicates that solids have a structure able to exert an opposing force that negates an externally applied force. Liquids deform when a force is applied, indicating that a liquid structure cannot completely negate an applied force. Just how easily a liquid resists deformation is related to its viscosity. Spaceflight provides an environment in which the laboratory reference frame i.e. the spacecraft and all the equipment therein an experiencing virtually identical forces. There is no solid foundation underneath such a laboratory, so the laboratory accelerates according to the force of gravity as do the experimental fluids within the lab. Hence, the magnitude of the form excited by the laboratory on the experimental solutions within are greatly reduced. When compared with a laboratory on the ground and averaged over time, the fluids in a spaceflight laboratory experience approximately a 10 (sup -6)decrease in acceleration relative to their laboratory reference frame hence the term microgravity.

Downey, James P.↗