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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Understanding Solution State Conformation and Aggregate Structure of Conjugated Polymers via Small Angle X-ray Scattering

Donor-acceptor (D-A) conjugated polymers are high-performance organic electronic materials that exhibit complex aggregation behavior. Understanding the solution state conformation and aggregation of conjugated polymers is crucial for controlling morphology during thin-film deposition and the subsequent electronic performance. However, a precise multiscale structure of solution state aggregates is lacking. Here, we present an in-depth small-angle X-ray scattering (SAXS) analysis of the solution state structure of an isoindigo-bithiophene-based D-A polymer (PII-2T) in chlorobenzene and decane as our primary system. Modeling the system as a combination of hierarchical fibrillar aggregates mixed with dispersed polymers, we extract information about conformation and multiscale aggregation and also clarify the physical origin of features often observed but unaddressed or misinterpreted in small-angle scattering patterns of conjugated polymers. The persistence length of the D-A polymer extracted from SAXS agrees well with a theoretical model based on the dihedral potentials. Additionally, we show that the broad high q structure factor peak seen in scattering profiles can be attributed to lamellar stacking occurring within the fibril aggregates and that the low q aggregate scattering is strongly influenced by the polymer molecular weight. Overall, the SAXS profiles of D-A polymers in general exhibit a sensitive dependence on the co-existence of fibrillar aggregate and dispersed polymer chain populations. We corroborate our findings from SAXS with electron microscopy of freeze-dried samples for direct imaging of fibrillar aggregates. Finally, we demonstrate the generality of our approach by fitting the scattering profiles of a variety of D-A polymers based on thieno-isoindigo (PTII-2T), diketopyrrolopyrrole (DPP2T-TT, DPP-BTZ, PDPP2FT-C- 16 ), naphthalenediimide (P(NDI2OD-T2)), and a conjugated block copolymer P3HT-b-DPPT-T. The results presented here establish a picture of the D-A polymer solution state structure and provide a general method of interpreting and analyzing their scattering profiles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1995

Metrology: Measurement Assurance Program Guidelines

The 5300.4 series of NASA Handbooks for Reliability and Quality Assurance Programs have provisions for the establishment and utilization of a documented metrology system to control measurement processes and to provide objective evidence of quality conformance. The intent of these provisions is to assure consistency and conformance to specifications and tolerances of equipment, systems, materials, and processes procured and/or used by NASA, its international partners, contractors, subcontractors, and suppliers. This Measurement Assurance Program (MAP) guideline has the specific objectives to: (1) ensure the quality of measurements made within NASA programs; (2) establish realistic measurement process uncertainties; (3) maintain continuous control over the measurement processes; and (4) ensure measurement compatibility among NASA facilities. The publication addresses MAP methods as applied within and among NASA installations and serves as a guide to: control measurement processes at the local level (one facility); conduct measurement assurance programs in which a number of field installations are joint participants; and conduct measurement integrity (round robin) experiments in which a number of field installations participate to assess the overall quality of particular measurement processes at a point in time.

Eicke, W. G.↗
NASA NTRS2021

Frustration in Fuzzy Protein Complexes Leads to Interaction Versatility

Disordered proteins frequently serve as interaction hubs involving a constrained variety of partners. Complexes with different partners frequently exhibit distinct binding modes, involving regions that remain disordered in the bound state. While the conformational properties of disordered proteins are well-characterized in their free states, less is known about the molecular mechanisms by which specificity can be achieved not with one but with multiple partners. Using the energy landscape theory concept of protein frustration, we demonstrate that complexes of disordered proteins exhibit a high degree of local frustration, especially at the binding interface. These suboptimal interactions lead to the possibility of multiple bound substates, each displaying distinct frustration patterns, which are differently populated in complexes with different partners. These results explain how specificity of disordered proteins can be achieved without a single common bound conformation and how the conflict between different interactions can be used to control the binding to multiple partners.

Chemical specificity↗
DOE OSTI2021

Zinc binding alters the conformational dynamics and drives the transport cycle of the cation diffusion facilitator YiiP

YiiP is a secondary transporter that couples Zn 2+ transport to the proton motive force. Structural studies of YiiP from prokaryotes and Znt8 from humans have revealed three different Zn 2+ sites and a conserved homodimeric architecture. These structures define the inward-facing and outward-facing states that characterize the archetypal alternating access mechanism of transport. To study the effects of Zn 2+ binding on the conformational transition, we use cryo-EM together with molecular dynamics simulation to compare structures of YiiP from Shewanella oneidensis in the presence and absence of Zn 2+ . To enable single-particle cryo-EM, we used a phage-display library to develop a Fab antibody fragment with high affinity for YiiP, thus producing a YiiP/Fab complex. To perform MD simulations, we developed a nonbonded dummy model for Zn 2+ and validated its performance with known Zn 2+ -binding proteins. Using these tools, we find that, in the presence of Zn 2+ , YiiP adopts an inward-facing conformation consistent with that previously seen in tubular crystals. After removal of Zn 2+ with high-affinity chelators, YiiP exhibits enhanced flexibility and adopts a novel conformation that appears to be intermediate between inward-facing and outward-facing states. This conformation involves closure of a hydrophobic gate that has been postulated to control access to the primary transport site. Comparison of several independent cryo-EM maps suggests that the transition from the inward-facing state is controlled by occupancy of a secondary Zn 2+ site at the cytoplasmic membrane interface. This work enhances our understanding of individual Zn 2+ binding sites and their role in the conformational dynamics that govern the transport cycle.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1984

Development of a thermal environment simulator for large test articles in a vacuum

The simulation of the thermal environment by varying the effective sink temperature about the test article was examined. The accuracy of this simulation depends upon the spectral emissivity/absorptivity, the number and size of the control zones, the temperature of each zone, and the geometry of the enclosure. A very large number of zones closely conforming to the surface of the test article quickly become prohibitive due to expense and control problems. A two zone low price enclosure does not have the fidelity required for thermal balance testing. The development of a simulator which for a reasonable cost, simulates the thermal balance environment for most large test articles in the future is described.

Storrs, H. B.↗
NASA NTRS1984

An analysis of Landsat-4 Thematic Mapper geometric properties

Landsat-4 Thematic Mapper data of Washington, DC, Harrisburg, PA, and Salton Sea, CA were analyzed to determine geometric integrity and conformity of the data to known earth surface geometry. Several tests were performed. Intraband correlation and interband registration were investigated. No problems were observed in the intraband analysis, and aside from indications of slight misregistration between bands of the primary versus bands of the secondary focal planes, interband registration was well within the specified tolerances. A substantial number of ground control points were found and used to check the images' conformity to the Space Oblique Mercator (SOM) projection of their respective areas. The means of the residual offsets, which included nonprocessing related measurement errors, were close to the one pixel level in the two scenes examined. The Harrisburg scene residual mean was 28.38 m (0.95 pixels) with a standard deviation of 19.82 m (0.66 pixels), while the mean and standard deviation for the Salton Sea scene were 40.46 (1.35 pixels) and 30.57 m (1.02 pixels), respectively. Overall, the data were judged to be a high geometric quality with errors close to those targeted by the TM sensor design specifications.

Walker, R. E.↗
NASA NTRS2001

En route Descent Advisor Concept for Efficient Arrival Metering Conformance

The En-route Descent Advisor (EDA) is a suite of decision support tool (DST) capabilities for en route sector subject to metering restrictions such as those generated by the Center TRACON Automation System (CTAS) Traffic Management Advisor. EDA assists controllers with high-density arrival metering by providing fuel-efficient metering-conformance advisories, integrated with conflict detection and resolution (CD&R) capabilities, to minimize deviations from the user s preferred trajectory. These DST capabilities will enable controllers to change their procedures from ones that are oriented towards sector management to procedures oriented towards trajectory management. Although adaptable to current procedures and airspace structure, EDA is intended as a tool for transitioning traffic from a Free Flight environment to an efficiently organized flow into terminal airspace. This paper describes the transition airspace problem and EDA concept, defines the key benefit mechanisms that will be enabled by EDA capabilities, and presents a traffic scenario to illustrate the use of the tool.

Green, Steven↗
DOE OSTI2025

Structure–Function Relationships in Sequence-Controlled Copolymers for Rare Earth Element Chelation

The ability to tune material function through primary sequence is a defining feature of biological macromolecules, allowing precise control over structure and target interactions in complex aqueous environments. However, translating sequence–structure–function relationships to synthetic macromolecules is challenging due to their dispersity in sequence, conformation, and composition. Here, we report systematic studies of amphiphilic polymer chelators designed to probe how composition and patterning influence binding affinity and selectivity for rare earth elements (REEs), a series of technologically relevant metals with challenging separation profiles. A library of copolymers varying hydrophobic monomer composition and patterning was synthesized via reversible addition–fragmentation chain transfer (RAFT) polymerization, spanning statistical, gradient, and block architectures. REE binding was quantified using a high-throughput colorimetric assay, and reconstruction of polymer ensembles using kinetic stochastic simulations enabled quantitative comparisons of sequence heterogeneity, linking local monomer colocalization to emergent REE binding. Further, we investigated the role of different hydrophobic comonomers in tuning metal coordination, with binding trends linked to structural features that influence binding site desolvation. Complementary dynamic light scattering (DLS) and small-angle X-ray scattering (SAXS) measurements showed that both polymer and monomer architecture modulate metal-induced conformational changes, and that multichain assembly behavior emerges beyond critical hydrophobic thresholds. Sequence control also altered REE selectivity, with nonmonotonic differences observed across compositionally identical polymers with different sequence architectures. Together, these findings establish design principles that connect polymer sequence and structure to binding performance, guiding the design of macromolecular chelators with enhanced affinity and selectivity for applications in separations, sensing, and catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1986

Forebody vortex management for yaw control at high angles of attack

The yaw-control potential of deployable forebody strakes at angles of attack above the range of conventional rudder effectiveness has been investigated. The conformally-stored strakes when deployed force asymmetrical vortex shedding from the forebody, thereby generating a controlled yawing moment. The concept was explored through low-speed wind tunnel tests on a conical forebody in isolation and in a generic fighter configuration. Force and moment measurements on the complete model were supplemented with circumferential pressure and flow-visualization surveys on an isolated forebody, in order to gain insight into the vortex flow mechanisms resulting from forced asymmetrical separations and to quantify the obtainable yaw power at angles of attack to 80 deg. This preliminary, low-Reynolds-number study showed asymmetrically-deployed forebody strakes to have considerable yaw control potential, whose sensitivity to scale effects needs further investigation.

Rao, D. M.↗
DOE OSTI2020

Advanced control sequences and FDD technology. Just shiny objects, or ready for scale?

Innovations in commercial building control sequences (ASHRAE guideline 36) and fault detection and diagnostics (FDD) technology have the potential to transform existing building operational efficiency by realizing whole-building level savings on the order of 15% and higher. However, several technical and market barriers related to up-front estimation of achievable savings, verifying implementation, and ensuring persistence are slowing down their adoption as a core offering through diverse owner-funded initiatives and rate-payer funded programs. This paper describes a suite of solutions to overcome these barriers to program delivery of advanced HVAC controls integrated with FDD energy management and information system (EMIS) technology. First, the Guideline 36 conformance test offers an automated method to confirm correct sequence implementation by the manufacturer, before field deployment. A successful test of a controller was conducted using a new manufacturer-independent hardware-in-the-loop testbed demonstrating the viability and scalability of this approach. Second, the Guideline 36 energy savings calculator uses modeling paired with high-level user inputs to estimate building-specific savings potential, target cost effective implementation and minimize uncertainty. Initial results indicate the baseline control sequences significantly impact energy savings, however, as much as 50% savings may be possible for the worst-case baseline scenario. Third, a functional specification provides minimum recommended EMIS-FDD capabilities, and best practices to integrate the technology into organizational practice and ensure that advanced control sequences provide persistent savings.

Pritoni, Marco↗
DOE OSTI2020

Atomically Precise Membranes for the Separation of Gases

Industrial separations require enormous amounts of energy, accounting for approximately half the industrial energy use and 10–15% of the total energy consumption. Distillation alone accounts for about half the energy demand for industrial separations. If these processes could be replaced by an energy-efficient membrane separation process, this energy demand could be reduced by 90%. However, although some membrane processes have made inroads into thermal distillation, for membrane-based separations to replace the distillation process to a far more significant and practical level, new membranes with higher robustness, selectivity, and flux still need be developed. In this membrane development program, we leveraged Temple University’s prior work in spiroligomers to develop robust membrane structures. These structures can be formed into atomically precise pores by controlling the chemical synthesis and the oligomer building blocks to first build precisely controlled macrocycles and then subsequently crosslinking these macrocycles to produce a membrane. Furthermore, through the highly controllable chemistry of our molecular building blocks, not only can we integrate pores with highly controllable and reproducible size and morphology, but we can also target internal functionalization. By using a range of scalable membrane synthesis approaches, combined with control of each and every pores internal chemistry and molecular conformation we can achieve membrane structures that can display the ultimate in high selectivity and permeance. The Mainstream-Temple University membranes can be designed to achieve ultra-selective separations based on the key factors of molecular size, shape, and functionality. In our approach to fabricate scalable atomically precise membranes, we used our molecular Lego nanostructures. We demonstrated an approach to create atomically precise pores within the membrane with pores that are the dimensions of the molecule we are trying to separate. Moreover, in addition to controlling the morphology of the membrane structure by controlling the size of every pore, we can also decorate every pore with precisely targeted and placed functional groups. These accurately placed functional groups can provide selective binding to molecules and provide enhanced selectivity via a facilitated transport mechanism. In Phase II, the Mainstream-Temple University team demonstrated the scalable synthesis of oligomers and the ability to control the pore internal and external functionality, or chemistry, to allow the fabrication of a thin-film membrane. The initial steps of the spiroligomer synthesis to produce the two key bis-amino enantiomer building blocks were scaled from the gram scale to the kilogram scale, obtaining 25 kg of the materials by transferring the procedure to a toll manufacturer. Finally, we successfully optimized the fabrication of these macrocycles into robust membranes. We successfully transitioned from a laboratory based, hard-to-scale Langmuir trough synthesis to a highly scalable, roll-to-roll applicable, interfacial polymerization process. During this Phase II program, we established a platform of atomically precise membranes where our highly controllable, atomically precise macrocycles served as a scaffold with precisely and uniformly controlled pores. Furthermore, this layer can be tailored to accommodate a diverse range of functional groups, which both further controlled the pore size to enhance the sieving effect as well as imparting precisely controlled targeted selectivity through biomimetic molecular interactions. In this Phase II, we established and scaled up a platform approach to both tune the pore size and chemistry as well as scale it to produce membranes that can be applied to a wide range of industries. In future development, the project team expects to scale up both the macrocycle building block production and interfacial polymerization process to produce the atomically precise membrane with targeted pore sizes and pore chemistries.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Encapsulation of highly viscous CO 2 capture solvents for enhanced capture kinetics: Modeling investigation of mass transfer mechanisms

The encapsulation of highly viscous liquid-like Nanoparticle Organic Hybrid Materials (NOHMs) inside a gas permeable polymer to form SIPs (Solvent Impregnated Polymers) significantly enhanced the CO 2 capture kinetics of NOHMs, leading to a remarkable 50-fold increase in CO 2 flux compared to the neat NOHMs. To understand the mechanism for enhanced CO 2 mass transfer within these hybrid materials, kinetic modeling of CO 2 uptake into SIPs containing polyethylenimine functionalized NOHMs, denoted NPEI-SIP, was conducted. CO 2 mass transfer into NPEI-SIP films was found to conform, both qualitatively and quantitatively, with a diffusion-controlled moving front model. The diffusion-controlled model was also used to simulate CO 2 uptake within a fixed bed containing polydisperse NPEI-SIP particles, and this model accurately predicted experimentally measured breakthrough curves at 25 °C and 50 °C. The 50-fold increase in gas flux was shown to be a consequence of the very large CO 2 permeability within the polymer–solvent composite. Furthermore, the increase in gas flux is also dependent on the diffusion–reaction regime in which the chemical solvent operates, and the largest improvement will occur when immobilizing solvents, such as NOHMs, which operate in the instantaneous-reaction regime. The CO 2 capacity (~3 mol CO 2 /kg) and saturation time (~5 min) of 430 μm SIP particles were comparable to popular CO 2 chemisorption materials such as amine grafted silicates, in spite of the slow kinetics of NOHM-I-PEI in liquid form (CO 2 saturation time ~24 h for a 1 mm thin film).

36 MATERIALS SCIENCE↗
DOE OSTI2025

High-Throughput In-Line Deposition of Silicon Oxide for Polycrystalline Silicon Passivating Contacts

Polycrystalline silicon passivating contacts rely on an ultrathin (1–2 nm) silicon oxide layer to minimize recombination at the wafer/oxide interface and regulate dopant diffusion. Traditionally formed by thermal or chemical oxidation, this oxide is herein replaced by silicon oxide deposited via aerosol impact-driven assembly (AIDA), enabling high wafer-per-hour throughput and precise thickness control. In this study, we show that AIDA coatings conformally cover planar or textured substrates and achieve a SiO x /poly-Si(n) structure with an implied open-circuit voltage (iV oc = 726 mV) and contact saturation current density (J 0 = 8.8 fA/cm 2 ). Furthermore, annealing AIDA SiO x films at elevated temperatures desorbs hydroxyl groups while the stoichiometry transitions toward SiO 2 , improving passivation quality. Together, these results highlight AIDA’s potential for scalable, high-throughput manufacturing of advanced passivating contacts, offering a cost-effective alternative to conventional low-pressure chemical vapor deposition and plasma-enhanced chemical vapor deposition-based silicon and oxide processes.

TOPcon↗
NASA NTRS1991

Transformation of two and three-dimensional regions by elliptic systems

A reliable linear system is presented for grid generation in 2-D and 3-D. The method is robust in the sense that convergence is guaranteed but is not as reliable as other nonlinear elliptic methods in generating nonfolding grids. The construction of nonfolding grids depends on having reasonable approximations of cell aspect ratios and an appropriate distribution of grid points on the boundary of the region. Some guidelines are included on approximating the aspect ratios, but little help is offered on setting up the boundary grid other than to say that in 2-D the boundary correspondence should be close to that generated by a conformal mapping. It is assumed that the functions which control the grid distribution depend only on the computational variables and not on the physical variables. Whether this is actually the case depends on how the grid is constructed. In a dynamic adaptive procedure where the grid is constructed in the process of solving a fluid flow problem, the grid is usually updated at fixed iteration counts using the current value of the control function. Since the control function is not being updated during the iteration of the grid equations, the grid construction is a linear procedure. However, in the case of a static adaptive procedure where a trial solution is computed and used to construct an adaptive grid, the control functions may be recomputed at every step of the grid iteration.

Mastin, C. Wayne↗
NASA NTRS2004

Pilot in Command: An Illustration of Autonomous Flight Management

Several years of NASA research have produced the concept for air traffic management called "Distributed Air/Ground Traffic Management," a major operational advancement that should significantly increase the capacity of the National Airspace System. A key component, "Autonomous Flight Management," introduces a new class of aircraft operations in which pilots are authorized to freely maneuver and execute optimal trajectories independent from air traffic controllers. These aircraft operators would benefit from significant increases in flexibility to optimize all flight operations and from avoiding most of the delays associated with ground-controlled operations. Responsibilities for aircraft separation and arrival flow conformance are transferred to the flight deck, and the pilots use computerized decision-support tools to accomplish these tasks. A research prototype of these tools called the "Autonomous Operations Planner" is being developed at the NASA Langley Research Center. This 14-minute video illustrates Autonomous Flight Management from the airline pilot's perspective.

Wing, David J.↗
NASA NTRS2018

Modification of Radiator Pigments by Atomic Layer Deposition (ALD)

The optical and physical properties of spacecraft radiator coatings are dictated by orbital environmental conditions. For example, coatings must adequately dissipate charge buildup when orbital conditions, such as polar, geostationary or gravity neutral, result in surface charging. Current dissipation techniques include depositing a layer of ITO (indium tin oxide) on the radiator surface in a high temperature process. Other examples include the application of variable emittance coatings such as the use of VO2 to optimize radiator size, allowing for a decrease in heater power budget. The application of these enhanced coatings must be such that the properties in question are tailored to mission-specific requirements. Modification of these coatings can be accomplished during coating application preprocessing by using a deposition technique prevalent in the semiconductor micro processing industry called Atomic Layer Deposition (ALD). The preprocessing is rendered directly on the coating dry pigment before binding. ALD is a cost effective nano-manufacturing technique that allows for the conformal coating of substrates with atomic-level thickness control in a benign temperature and pressure environment. Through the introduction of paired precursor gases, thin films can be deposited on a myriad of substrates ranging from glass, polymers, aerogels, metals, powders, and other high aspect-ratio micro- and nano-structures. By providing atomic-level control, where single layers of atoms can be deposited, the fabrication of metal transparent films, precise nano-laminates, and coatings of nano-channels and pores is achievable. We have demonstrated a method for the ALD of In2O3 and ITO films on a variety of substrates from Si(100) wafers, glass slides, and on Z93P pigments (patent pending). The results indicate excellent growth of 4-22 nm thick films demonstrating an order of magnitude decrease in resistivity on the pigments.

ITO↗
DOE OSTI2023

Vertical control of DIII-D discharges with strong negative triangularity

Through predictive modeling validated by a series of experiments on DIII-D, the vertical stability of low β diverted plasmas with strong negative triangularity (NT) ($\delta\sim-0.6$) is assessed. As a result of their unique magnetic geometry, NT plasmas feature larger Shafranov shifts and more elongated inner flux surfaces than positive triangularity counterparts, typically leading to enhanced vertical instability growth rates. However, coupling with the non-conformal vessel DIII-D wall reduces these growth rates to controllable values, providing a path forward for stabilizing strongly NT plasma with a diverted geometry. These discharges are used to validate GSdesign (part of the TokSys code suite) stability calculations in strong NT plasmas on DIII-D, with errors of no more than ~20% observed between modeled and experimentally measured growth rates. Additions of diagnostic noise and power supply tuning to the TokSys model are needed to accurately capture the time dependence of DIII-D NT discharges, assisting with the design of control schemes specific to the DIII-D poloidal field coils. Lastly, implications of these results on a future NT reactor are briefly described.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1973

Operations manual for the patient assist device

Quadriplegic patients and multiple amputee patients are almost totally dependent on nursing personnel for any activities or interests in which they participate. A patient assist device is reported which provides patient control over electrical devices in his environment. The patient operates three switches to acquire control over a desired electrical appliance. The type switches employed are chosen to conform to patient capabilities, even when such capabilities are as limited as eye or head movements. The switch operations are sensed and converted into command signals by the patient assist device to control ten electrical appliances simulataneously and independently.

Schrader, M. A.↗