Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “solution processable”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
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.↗
NASA NTRS1990

Combined design of structures and controllers for optimal maneuverability

Approaches to the combined design of structures and controllers for achieving optimal maneuverability are presented. A maneuverability index which directly reflects the minimum time required to perform a given set of maneuvers is introduced. By designing the flexible appendages, the maneuver time of the spacecraft is minimized under the constraints of structural properties, and post maneuver spillover is kept within a specified bound. The spillover reduction is achieved by making use of an appropriate reduced order model. The distributed parameter design problem is approached using assumed shape functions, and finite element analysis with dynamic reduction. Solution procedures have been investigated. Approximate design methods have been developed to overcome the computational difficulties. Some new constraints on the modal frequencies of the spacecraft are introduced in the original optimization problem to facilitate the solution process. It is shown that the global optimal design may be obtained by tuning the natural frequencies to satisfy specific constraints. Researchers quantify the difference between a lower bound to the solution for maneuver time associated with the original problem and the estimate obtained from the modified problem, for a specified application requirement. Numerical examples are presented to demonstrate the capability of this approach.

Ling, Jer↗
DOE OSTI2024

Colloidal AInSe 2 (A = K, Rb, Cs) Nanocrystals with Tunable Crystal and Band Structures

Wide band gap AInSe 2 (A = K, Rb, Cs) is an important interlayer material for improving the efficiency of Cu(In,Ga)(S,Se) 2 (CIGS) solar cells. Compared to high-vacuum deposition and solid-state synthesis, a less energyintensive method is of interest for its fabrication. Herein, we present the rapid, low-temperature colloidal synthesis of AInSe 2 nanocrystals that opens a pathway for convenient solution processing. The crystal structures and electronic band structures of the nanocrystals were studied, and their particle morphology was found to be dependent on the choice of alkali metal and selenium precursors. Homogeneous solid solution (K,Rb,Cs)InSe 2 nanocrystals were synthesized using a mixture of alkali metal precursors. Their compositions, lattice parameters, and band gaps were easily tuned based on the K:Rb:Cs precursor ratio, providing potential for interface engineering of CIGS nanocrystal-based solar cells.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Porous and Amorphous Mn x Mo 3 S 13 Chalcogel Electrode for High-Capacity Conversion-Based Lithium-Ion Batteries

While Li-ion batteries (LIBs) are a leading energy storage technology, their energy densities are limited by the low capacity of conventional intercalation cathodes, driving interest in high energy-density Li–S batteries that make use of conversion chemistry. Achieving high capacity, reversibility, and cycle stability, and controlling volume changes in conversion batteries during the charge–discharge process, however, remains challenging. Here, in this study, we present a porous, amorphous, sulfide-based Mn x Mo 3 S 13 chalcogel, which concurrently offers high capacity and cycle stability. The solution-processable room temperature synthesized Mn x Mo 3 S 13 (x = 0.25) chalcogel exhibits a local structure that resembles the Mo 3 S 13 cluster with Mn 2+ distributed across the Mo 3 S 13 matrix, as determined by synchrotron X-ray pair distribution function (PDF) and extended X-ray absorption fine structure (EXAFS). Ab initio molecular dynamics (AIMD) simulations reveal that Mn 2+ incorporation shortens the polysulfide chain in the gel matrix compared to the Mo 3 S 13 chalcogel, while forming a coordination environment with disulfide groups, analogous to the experimental findings. A Li/Mn 0.25 Mo 3 S 13 half-cell delivers 897 mAh g –1 capacity during the first discharge and retains 571 mAh g –1 capacity after 100 cycles at a C/3 rate. Distribution of relaxation time (DRT) unveils a stable solid–electrolyte interphase (SEI) formation upon cycling that enables charge–discharge reversibility. Here, the enhanced capacity retention and cycle stability compared to those of the Li/Mo 3 S 13 cell are attributed to the reduced dissolution of active mass into the electrolyte, facilitated by the formation of shorter polysulfide chains within the Mn 0.25 Mo 3 S 13 structure and the strong affinity of Lewis-acidic Mn 2+ for polysulfide anions generated during the charge–discharge process of the Li/Mn 0.25 Mo 3 S 13 cell. Thus, this work illustrates a design principle of material for high-capacity and cycle-stable Li-metal sulfide batteries.

25 ENERGY STORAGE↗
NASA NTRS1977

Charge coupled devices

The results are presented of a program to design, fabricate, and test CCD arrays suitable for operation in an electron-bombarded mode. These intensified charge coupled devices have potential application to astronomy as photon-counting arrays. The objectives of this program were to deliver arrays of 250 lines of 400 pixels each and some associated electronics. Some arrays were delivered on tube-compatible headers and some were delivered after incorporation in vacuum tubes. Delivery of these devices required considerable improvements to be made in the processing associated with intensified operation. These improvements resulted in a high yield in the thinning process, reproducible results in the accumulation process, elimination of a dark current source in the accumulation process, solution of a number of header related problems, and the identification of a remaining major source of dark current. Two systematic failure modes were identified and protective measures established. The effects of tube processing on the arrays in the delivered ICCDs were determined and are reported along with the characterization data on the arrays.

Walker, J. W.↗
NASA NTRS2003

Preliminary Planar Formation: Flight Dynamics Near Sun-Earth L2 Point

NASA's Goddard Space Flight Center is planning a series of missions in the vicinity of the Sun-Earth L2 libration point. Some of these projects will involve a distributed space system of telescope spacecraft acting together as a single telescope for high-resolution. The individual telescopes will be configured in a plane, surrounding a hub, where the telescope plane can be aimed toward various astronomical targets of interest. In preparation for these missions, it is necessary to develop an improved understanding of the dynamical behavior of objects in a planar configuration near L2. The classical circular restricted three body problem is taken as the basis for the analysis. At first order, the motion of such a telescope relative to the hub is described by a system of linear second order differential equations. These equations are identical to the circular restricted problem's linear equations describing the hub motion about L2. Therefore, the fundamental frequencies, both parallel to and normal to the ecliptic plane, are the same for the relative telescope motion as for the hub motion. To maintain the telescope plane for the duration necessary for the planned observations, a halo-type orbit of the telescopes about the hub is investigated. By using a halo orbit, the individual telescopes remain in approximately the same plane over the observation duration. For such an orbit, the fundamental periods parallel to and normal to the ecliptic plane are forced to be the same by careful selection of the initial conditions in order to adjust the higher order forces. The relative amplitudes of the resulting oscillations are associated with the orientation of the telescope plane relative to the ecliptic. As in the circular restricted problem, initial conditions for the linearized equations must be selected so as not to excite the convergent or divergent linear modes. In a higher order analysis, the telescope relative motion equations include the effects of the position of the hub relative to L2. In this paper, the differential equations are developed through second order in the distance of the hub from the libration point. A modified Lindstedt-Poincad perturbation method is employed to construct the solution of these differential equations through that same order of magnitude. In the course of the solution process, relationships are determined between the initial conditions of the telescopes, selected in order to avoid resonance excitation. As the differential equations include the hub position, it is necessary to simultaneously develop the solution for the hub. As has been done in past analyses of the circular restricted problem, the hub position is written in a power series formulation in terms of its distance from L2. Then, in order to be included in the telescope equations, the hub solution is cast in terms of the nonlinear frequency of the relative telescope motion. In the course of the analysis, it is determined that the hub should also maintain a halo orbit - about L2. Additionally, relationships are formed between the initial conditions of the telescopes and the hub. These relationships may be used to associate sets of initial conditions with particular orientations of the telescope plane. The accuracy of the analytical solution is verified through various simulations and comparison to numerical integration of the differential equations. The results of the simulations are presented, along with a graphical representation of the relationships between the initial conditions of the telescopes and hub.

Segerman, Alan M.↗
NASA NTRS2003

Automated CFD Database Generation for a 2nd Generation Glide-Back-Booster

A new software tool, AeroDB, is used to compute thousands of Euler and Navier-Stokes solutions for a 2nd generation glide-back booster in one week. The solution process exploits a common job-submission grid environment using 13 computers located at 4 different geographical sites. Process automation and web-based access to the database greatly reduces the user workload, removing much of the tedium and tendency for user input errors. The database consists of forces, moments, and solution files obtained by varying the Mach number, angle of attack, and sideslip angle. The forces and moments compare well with experimental data. Stability derivatives are also computed using a monotone cubic spline procedure. Flow visualization and three-dimensional surface plots are used to interpret and characterize the nature of computed flow fields.

Chaderjian, Neal M.↗
DOE OSTI2024

Scalable and Quench-Free Processing of Metal Halide Perovskites in Ambient Conditions

With the rise of global warming and the growing energy crisis, scientists have pivoted from typical resources to look for new materials and technologies. Perovskite materials hold the potential for making high-efficiency, low-cost solar cells through solution processing of Earth-abundant materials; however, scalability, stability, and durability remain key challenges. In order to transition from small-scale processing in inert environments to higher throughput processing in ambient conditions, the fundamentals of perovskite crystallization must be understood. Classical nucleation theory, the LaMer relation, and nonclassical crystallization considerations are discussed to provide a mechanism by which a gellan gum (GG) additive—a nontoxic polymeric saccharide—has enabled researchers to produce quality halide perovskite thin-film blade coated in ambient conditions without a quench step. Furthermore, we report on the improved stability and durability properties inherent to these films, which feature improved morphologies and optoelectronic properties compared to films spin-coated in a glovebox with antisolvent. We tune the amount of GG in the perovskite precursor and study the interplay between GG concentration and processability, morphological control, and increased stability under humidity, heat, and mechanical testing. The simplicity of this approach and insensitivity to environmental conditions enable a wide process window for the production of low-defect, mechanically robust, and operationally stable perovskites with fracture energies among the highest obtained for perovskites.

14 SOLAR ENERGY↗
DOE OSTI2021

Optimizing the self-assembly of conjugated polymers and small molecules through structurally programmed non-covalent control

Organic conjugated polymers and oligomers are key electronic materials for applications such as transistors, photovoltaics, and light emitting devices due to their potential for solution processability, mechanical flexibility, and precise structure-based tuning compared to inorganic materials. In dilute environments, the optoelectronic properties of conjugated polymers are largely governed by their constitutional structure and, to a lesser degree, their solution-state intramolecular configuration. In the solid state, intramolecular conformation and intermolecular electronic coupling impact these properties substantially, especially in relation to device performance. Therefore, an increasingly important area of research concerning conjugated materials is developing design strategies aimed at optimizing the solid-state packing for electronic applications. Programming solid-state packing arrangements through discrete non-covalent interactions is an emerging strategy within the context of conjugated polymers. This review focuses on the use of the two most prevalent discrete and directional interactions used to dictate the self-assembly of conjugated polymers and oligomers—hydrogen bonds and chalcogen bonds. Further, we also discuss how these design motifs can imbue conjugated materials with appealing physical properties while simultaneously retaining or improving electronic capabilities.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Truncating 2D Framework Materials Down to a Single Pore: Synthetic Approaches and Opportunities

Here, in this Accounts article, we summarize our recent work on truncating conjugated two-dimensional framework materials down to a single pore, or a single macrocycle. Conjugated 2D architectures have emerged as one of the most synthetically adaptable motifs for coupling semiconductivity and porosity in metal–organic frameworks (MOFs) and covalent organic frameworks (COFs). However, despite their prevalence, 2D architectures have several limitations. In particular, the strong interlayer π–π stacking can limit both processability and the accessibility of internal active sites. We have found that simple macrocycles preserve key aspects of 2D framework structure and function, including porosity and out-of-plane electrical conductivity, while providing improved processability, surface tunability, and mass transport properties. In this article, we first describe our synthetic approach and general design considerations. Specifically, we show how ditopic analogues of the tritopic ligands commonly found in the synthesis of 2D MOFs and COFs can be used to achieve a diverse library of conjugated macrocycles that resemble fragments of semiconducting frameworks in both form and function. The length of the peripheral side chains, the size of the aromatic core, and the solubility of intermediates are all key variables in favoring selective macrocycle formation over undesired linear polymers and oligomers. Next, we highlight the unique advantages that macrocycles provide, including improved processability, atomically precise surface tunability, and greater active site accessibility. In particular, the identity of the peripheral side chains dramatically impacts both solubility and colloidal stability as well as crystal size and morphology. We further show how the solution processability and nanoscale dimensions of macrocycles can simplify electronic device fabrication and improve electrochemical performance. Finally, we end with a forward-looking discussion on how macrocycles offer a unique bridge between conjugated molecules and extended frameworks, enabling new application areas and fundamental science.

charge transport↗
DOE OSTI2021

Utilizing the unique charge extraction properties of antimony tin oxide nanoparticles for efficient and stable organic photovoltaics

Simultaneously enhancing device performance and longevity, as well as balancing the requirements on cost, scalability, and simplification of processing, is the goal of interface engineering of organic solar cells (OSCs). In our work, we strategically introduce antimony (Sb 3+ ) cations into an efficient and generic n-type SnO 2 nanoparticles (NPs) host during the scalable flame spray pyrolysis synthesis. Accordingly, a significant switch of conduction property from an n-type character to a p-type character is observed, with a corresponding shift in the work function (WF) from 4.01 ± 0.02 eV for pristine SnO 2 NPs to 5.28 ± 0.02 eV for SnO 2 NPs with 20 mol. % Sb content (ATO). Both pristine SnO 2 and ATO NPs with fine-tuned optoelectronic properties exhibit remarkable charge carrier extraction properties, excellent UV resistance and photo-stability being compatible with various state-of-the-art OSCs systems. The reliable and scalable pristine SnO 2 and ATO NPs processed by doctor-blading in air demand no complex post-treatment. Our work offers a simple but unique approach to accelerate the development of advanced interfacial materials, which could circumvent the major existing interfacial problems in solution-processed OSCs.

14 SOLAR ENERGY↗
NASA NTRS1999

HSCT Propulsion Airframe Integration Studies

The Lockheed Martin spillage study was a substantial effort and is worthy of a separate paper. However, since a paper was not submitted a few of the most pertinent results have been pulled out and included in this paper. The reader is urged to obtain a copy of the complete Boeing Configuration Aerodynamics final 1995 contract report for the complete Lockheed documentation of the spillage work. The supersonic cruise studies presented here focus on the bifurcated - axisymmetric inlet drag delta. In the process of analyzing this delta several test/CFD data correlation problems arose that lead to a correction of the measured drag delta from 4.6 counts to 3.1 counts. This study also lead to much better understanding of the OVERFLOW gridding and solution process, and to increased accuracy of the force and moment data. Detailed observations of the CFD results lead to the conclusion that the 3.1 count difference between the two inlet types could be reduced to approximately 2 counts, with an absolute lower bound of 1.2 counts due to friction drag and the bifurcated lip bevel.

Chaney, Steve↗
DOE OSTI2021

Measuring Hydroxylammonium, Nitrate, and Nitrite Concentration with Raman Spectroscopy for 238 Pu Supply Program

Optical spectroscopy has great potential to improve the timeliness of important analytical measurements for the 238 Pu Supply Program by enabling real-time analysis of process solutions within radiochemical hot cells. Hydroxylammonium (H 3 NOH + ]), nitrate (NO 3 - ), and nitrite (NO 2 - ) are three important molecular species present in multiple aqueous streams throughout the program’s flow sheet. The concentration of each species normally goes uncharacterized during processing. However, rapid quantification may benefit the program because uncertainties in kinetic redox expressions describing hydroxylammonium (HA) and nitrite reactions with Np and Pu leads to uncertainty in process model predictions for solvent extraction runs. HA concentration is normally quantified using ion chromatography, a technique that requires diluted grab samples taken out of the hot cell and analyzed off-line. Here we evaluate Raman spectroscopy for determining the concentration of H 3 NOH + , NO 3 - , and NO 2 - in benchtop tests to determine limits of detection. We also consider the possibility of using Raman spectroscopy in both glove box and hot cell environments for rapid analysis and pinpoint additional development opportunities needed to make this application successful.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
NASA NTRS1980

Implicit computations of unsteady transonic flow governed by the full-potential equation in conservation form

An alternating-direction implicit algorithm is presented for solving the conservative, full-potential equation for unsteady, transonic flow. A new development is the time-linearization of the density function. This linearization reduces the solution process from one of solving a system of two equations at each mesh point to one of solving a single equation. Two sample cases are computed. First, a one-dimensional traveling shock wave is computed and compared with the analytic solution. Second, a two-dimensional case is computed of a flow field that results from a thickening and subsequently thinning airfoil. The resulting flow field, which includes a traveling shock wave, is compared to the flow field obtained from the low-frequency, small-disturbance, transonic equation.

Goorjian, P. M.↗