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NASA NTRS1999

Control Design Strategies to Enhance Long-Term Aircraft Structural Integrity

Over the operational lifetime of both military and civil aircraft, structural components are exposed to hundreds of thousands of low-stress repetitive load cycles and less frequent but higher-stress transient loads originating from maneuvering flight and atmospheric gusts. Micro-material imperfections in the structure, such as cracks and debonded laminates, expand and grow in this environment, reducing the structural integrity and shortening the life of the airframe. Extreme costs associated with refurbishment of critical load-bearing structural components in a large fleet, or altogether reinventoring the fleet with newer models, indicate alternative solutions for life extension of the airframe structure are highly desirable. Increased levels of operational safety and reliability are also important factors influencing the desirability of such solutions. One area having significant potential for impacting crack growth/fatigue damage reduction and structural life extension is flight control. To modify the airframe response dynamics arising from command inputs and gust disturbances, feedback loops are routinely applied to vehicles. A dexterous flight control system architecture senses key vehicle motions and generates critical forces/moments at multiple points distributed throughout the airframe to elicit the desired motion characteristics. In principle, these same control loops can be utilized to influence the level of exposure to harmful loads during flight on structural components. Project objectives are to investigate and/or assess the leverage control has on reducing fatigue damage and enhancing long-term structural integrity, without degrading attitude control and trajectory guidance performance levels. In particular, efforts have focused on the effects inner loop control parameters and architectures have on fatigue damage rate. To complete this research, an actively controlled flexible aircraft model and a new state space modeling procedure for crack growth have been utilized. Analysis of the analytical state space model for crack growth revealed the critical mathematical factors, and hence the physical mechanism they represent, that influenced high rates of airframe crack growth. The crack model was then exercised with simple load inputs to uncover and expose key crack growth behavior. To characterize crack growth behavior, both "short-term" laboratory specimen test type inputs and "long-term" operational flight type inputs were considered. Harmonic loading with a single overload revealed typical exponential crack growth behavior until the overload application, after which time the crack growth was retarded for a period of time depending on the overload strength. An optimum overload strength was identified which leads to maximum retardation of crack growth. Harmonic loading with a repeated overload of varying strength and frequency again revealed an optimum overload trait for maximizing growth retardation. The optimum overload strength ratio lies near the range of 2 to 3 with dependency on frequency. Experimental data was found to correlate well with the analytical predictions.

Newman, Brett A.↗

NASA NTRS1998

Simulation of Long Lived Tracers Using an Improved Empirically Based Two-Dimensional Model Transport Algorithm

We have developed a new empirically-based transport algorithm for use in our GSFC two-dimensional transport and chemistry model. The new algorithm contains planetary wave statistics, and parameterizations to account for the effects due to gravity waves and equatorial Kelvin waves. As such, this scheme utilizes significantly more information compared to our previous algorithm which was based only on zonal mean temperatures and heating rates. The new model transport captures much of the qualitative structure and seasonal variability observed in long lived tracers, such as: isolation of the tropics and the southern hemisphere winter polar vortex; the well mixed surf-zone region of the winter sub-tropics and mid-latitudes; the latitudinal and seasonal variations of total ozone; and the seasonal variations of mesospheric H2O. The model also indicates a double peaked structure in methane associated with the semiannual oscillation in the tropical upper stratosphere. This feature is similar in phase but is significantly weaker in amplitude compared to the observations. The model simulations of carbon-14 and strontium-90 are in good agreement with observations, both in simulating the peak in mixing ratio at 20-25 km, and the decrease with altitude in mixing ratio above 25 km. We also find mostly good agreement between modeled and observed age of air determined from SF6 outside of the northern hemisphere polar vortex. However, observations inside the vortex reveal significantly older air compared to the model. This is consistent with the model deficiencies in simulating CH4 in the northern hemisphere winter high latitudes and illustrates the limitations of the current climatological zonal mean model formulation. The propagation of seasonal signals in water vapor and CO2 in the lower stratosphere showed general agreement in phase, and the model qualitatively captured the observed amplitude decrease in CO2 from the tropics to midlatitudes. However, the simulated seasonal amplitudes were attenuated too rapidly with altitude in the tropics. Overall, the simulations with the new transport formulation are in substantially better agreement with observations compared with our previous model transport.

Fleming, E. L.↗

NASA NTRSDate not supplied

Composites From in-Situ Consolidation Automated Fiber Placement of Thermoplastics for High-Rate Aircraft Manufacturing

The National Aeronautics and Space Administration (NASA) project Hi-Rate Composites Aircraft Manufacturing (HiCAM) aims to significantly increase commercial aircraft composite structures manufacturing rate. Thermoplastic composites offer attractive solutions to rapid manufacturing due to their ability to be formed and consolidated quickly. NASA has a particular interest in assessing composite structure manufacturing utilizing an in-situ consolidation automated fiber placement (AFP) of thermoplastics (ICAT) process employing current state-of-the-art laser heating systems. Three semi-crystalline polyaryletherketone (PAEK) thermoplastic tape materials were characterized to ascertain the ICAT process parameters. The required laser power settings were determined at Electroimpact, Inc., measuring material temperatures utilizing a forward looking infrared (FLIR) thermal imaging camera and thermocouples. The material temperature, tool temperature, and placement speed were varied for resulting consolidation quality assessment. The resulting temperature data were also utilized to calibrate thermal analysis models under development at NASA. The experimental temperature data confirmed analytical results. The quality of the resulting test panels was evaluated by both non-destructive evaluation as well as destructively by photo-microscopy. The effect on interlaminar strength was determined by short beam strength testing. Test results of carbon fiber laminates fabricated by ICAT using polyetheretherketone (PEEK), polyetherketoneketone (PEKK), and low-melt polyaryletherketone (LM-PAEK) at various placement temperatures and placement speeds are presented.

thermoplastic composites↗

DOE OSTI2020

Relative Permeability for Offshore Enhanced Oil Recovery

Relative permeability (kr ) is the description of multiphase transport through porous media that is most widely accepted and utilized to scale relationships up to the field scale through simulations. Previous research at NETL has shown a dependence of kr on the flow rates and porous media structure that is poorly captured in most descriptions of this process. Our project was originally scoped to be a 3-year project to (2019-2021): (1) determine if this poor literature description is true for offshore EOR; (2) collect data on the generation of relevant kr curves for offshore EOR; and (3) distribute this collected data, methodology and resultant curves.

Crandall, Dustin↗

DOE OSTI2025

Developing Microalgae-Based Non-Isocyanate Polyurethane Foam Materials

Polyurethane is a versatile material with a wide range of applications in the production of foam products such as car seats, mattresses, footwear, insulation foam, and more. The traditional process for producing polyurethane foam involves the fast reaction of isocyanate with water, which generates CO2 as a blowing agent. However, the use of isocyanate has raised concerns due to its potential for causing allergic reactions and aspiration symptoms. This has led to increased regulation of isocyanate, leading to a growing interest in developing alternatives. Non-isocyanate polyurethane (NIPU) has emerged as a promising alternative to traditional toxic PU production. The most promising approach for producing NIPU is the aminolysis of cyclic carbonate with diamine. The NIPU produced through this process has a polyhydroxyurethane structure, which is similar to traditional PU chemistry. We have demonstrated that microalgal oil is a favored feedstock, as it can provide high reactivity for industrial applications. However, the NIPU production process does not generate gas, and a blowing agent is required to achieve the desired foam structure. One of the challenges in producing NIPU foam is to match the bubble formation and curing rates. We have developed a novel approach to producing NIPU foam that utilizes carbamate as a bifunctional blowing and crosslinking agent. We have used vegetable oil and microalgal oil as feedstocks to produce various NIPU for characterization. The development of microalgal NIPU provides an exciting opportunity for reducing the environmental impact of foam production and improving the safety of the materials used in the production process. The production of value-added NIPU foam can also drive down the cost of microalgal biorefinery, advancing the commercialization of microalgal biofuel.

algae↗

DOE OSTI2020

Gold‐Catalyzed C−H Functionalization Polycondensation for the Synthesis of Aromatic Polymers

Abstract Homogeneous gold (Au) complexes have demonstrated tremendous utility in modern organic chemistry; however, their application for the synthesis of polymers remains rare. Herein, we demonstrate the first catalytic application of Au complexes toward the polycondensation of alkyne‐containing comonomers and heteroarene nucleophiles. Polymerization occurs through successive intermolecular hydroarylation reactions to produce high molecular weight aromatic copolymers with 1,1‐disubstituted alkene backbone linkages. Clear correlations between the rate and degree of polymerization (DP) were established based on catalyst structure and counterion pairing, thus enabling polymerization reactions that proceeded with remarkable efficiency, high reactivity, and exceptional DPs. The reactivity is broad in scope, enabling the copolymerization of highly functionalized aromatic and aliphatic monomers. These results highlight the untapped utility of Au catalysis in providing access to new macromolecular constructs.

King, Eric R.↗

NASA NTRS1981

Generic functional requirements for a NASA general-purpose data base management system

Generic functional requirements for a general-purpose, multi-mission data base management system (DBMS) for application to remotely sensed scientific data bases are detailed. The motivation for utilizing DBMS technology in this environment is explained. The major requirements include: (1) a DBMS for scientific observational data; (2) a multi-mission capability; (3) user-friendly; (4) extensive and integrated information about data; (5) robust languages for defining data structures and formats; (6) scientific data types and structures; (7) flexible physical access mechanisms; (8) ways of representing spatial relationships; (9) a high level nonprocedural interactive query and data manipulation language; (10) data base maintenance utilities; (11) high rate input/output and large data volume storage; and adaptability to a distributed data base and/or data base machine configuration. Detailed functions are specified in a top-down hierarchic fashion. Implementation, performance, and support requirements are also given.

Lohman, G. M.↗

DOE OSTI2020

Cofactor Complexes of DesD, a Model Enzyme in the Virulence-related NIS Synthetase Family

The understudied nonribosomal-peptide-synthetase-independent siderophore (NIS) synthetase family has been increasingly associated with virulence in bacterial species due to its key role in the synthesis of hydroxamate and carboxylate "stealth" siderophores. We have identified a model family member, DesD, from Streptomyces coelicolor , to structurally characterize using a combination of a wild-type and a Arg306Gln variant in apo , cofactor product AMP-bound, and cofactor reactant ATP-bound complexes. The kinetics in the family has been limited by solubility and reporter assays, so we have developed a label-free kinetics assay utilizing a single-injection isothermal-titration-calorimetry-based method. We report second-order rate constants that are 50 times higher than the previous estimations for DesD. Our Arg306Gln DesD variant was also tested under identical buffer and substrate conditions, and its undetectable activity was confirmed. These are the first reported structures for DesD, and they describe the critical cofactor coordination. This is also the first label-free assay to unambiguously determine the kinetics for an NIS synthetase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Gold–Catalyzed C–H Functionalization Polycondensation for the Synthesis of Aromatic Polymers

Homogeneous gold (Au) complexes have demonstrated tremendous utility in modern organic chemistry; however, their application for the synthesis of polymers remains rare. Herein, we demonstrate the first catalytic application of Au complexes toward the polycondensation of alkyne-containing comonomers and heteroarene nucleophiles. Polymerization occurs through successive intermolecular hydroarylation reactions to produce high molecular weight aromatic copolymers with 1,1-disubstituted alkene backbone linkages. Clear correlations between the rate and degree of polymerization (DP) were established based on catalyst structure and counterion pairing, thus enabling polymerization reactions that proceeded with remarkable efficiency, high reactivity, and exceptional DPs. The reactivity is broad in scope, enabling the copolymerization of highly functionalized aromatic and aliphatic monomers. Furthermore, these results highlight the untapped utility of Au catalysis in providing access to new macromolecular constructs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Experimental and computational studies of the kinetics of the reaction of hydrogen peroxide with the amidogen radical

In this work, the pulsed-laser photolysis/laser-induced fluorescence method is used to study the kinetics of the reaction of NH 2 with H 2 O 2 to yield a second-order rate constant of (2.42 ± 0.55) × 10 –14 cm 3 molecule –1 s –1 at 412 K in 10–22 mbar of Ar bath gas. There are no prior measurements for comparison. To check this value and enable reliable extrapolation to other temperatures, we also compute thermal rate constants for this process over the temperature range 298–3000 K via multi-structural canonical variational transition-state theory with small-curvature multidimensional tunneling (MS-CVT/SCT). The CVT/SCT rate constants are derived using a dual-level direct dynamics approach utilizing single-point CCSD(T)-F12b/cc-pVQZ-F12 energies—corrected for core-valence and scalar relativistic effects—and M06-2X/MG3S geometries, gradients, and Hessians—for all stationary and non-stationary points along the reaction path. The multistructural method with torsional anharmonicity, based on a coupled torsional potential, is then employed to calculate correction factors for the rate constants, accounting for the comprehensive effects of torsional anharmonicity on the kinetics of this reaction system. The final MS-CVT/SCT rate constants are found to be in good agreement with our measurements and can be expressed in modified Arrhenius form as 2.13 × 10 –15 (T/298 K) 4.02 exp(–513 K/T) cm 3 molecule –1 s –1 over the temperature range of 298–3000 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

High Energy Density and Stable Three-Dimensionally Structured Se-Loaded Bicontinuous Porous Carbon Battery Electrodes

Here, 3D structured Se-loaded bicontinuous porous carbon (BPC) electrodes were fabricated through colloidal templating of BPC followed by pulsed-voltage Se electrodeposition. The resultant electrodes were found to deliver a specific capacity of 665 mA h g -1 at a rate of 0.1 C, near the theoretical value for Se. When a vinylene carbonate containing electrolyte was utilized, the capacity fade over 500 cycles at 1 C rate was as small as a few percent. Impedance measurements and physical characterization of cycled electrodes indicated the exceptionally stable cycling performance was possibly due to vinylene carbonate resulting in formation of a stable SEI during cycling. Along with cycling stability, the rate performance of the 3D Se/BPC electrodes was also good. Due to the bicontinuous structure of carbonaceous current collector at rates as high as 5 C, the deliverable capacity was about 300 mA h g -1 .

25 ENERGY STORAGE↗

DOE OSTI2026

Bench-Scale Development of Promoted High-Capacity Structured Sorbents (Final Technical Report)

The project objective was to develop high-capacity structured sorbent capable of achieving low CO 2 removal from air. The sorbent framework consists of an amine-functionalized onto hydrophobic polymer backbone with an added promoter. The functionalized amine provides high CO 2 capacity and adsorption rates and the polymer backbone to reduce water uptake. For the sorbent development, multiple functionalized amines and promoters were assessed to select a candidate that achieved high CO 2 capacity, high adsorption rate, and high stability. A sorbent-coated filter design was selected as the structured sorbent, which provides high sorbent loading capacity and contains an electrically conductive nonwoven filter substrate that can be Joule-heated to provide efficient utilization of available electricity for sorbent regeneration. A commercial partner operated a pilot filter manufacturing line to produce the filter panels coated with the developed sorbent. A 1 kg CO 2 /day bench unit was designed and fabricated to test the structured filter sorbent. The key achievements from the structured sorbent development activity were demonstrating that existing filter industrial-scale processes can be used for manufacturing Susteon’s structured sorbent and completing a proof-of-concept demonstration of the commercially manufactured structured sorbent filters for CO 2 capture from air with direct, Joule-heated regeneration. A techno-economic assessment with sensitivity analysis was conducted on a 100,000 TPY facility with 85% operating capacity. Through sorbent optimization and process design improvements, it is estimated that the cost of capture was reduced from $\$$349/tCO 2 to $\$$241/tCO 2 . The TEA projects further reductions to $165/tCO 2 through enhancements in CO 2 adsorption rate and sorbent capacity and reducing manufacturing and scale up risks. A life cycle analysis was conducted on the same 100,000 TPY facility and confirmed that the facility’s electricity demand drives its greenhouse gas impact. It was determined that electricity supplied through the current grid mix would result in net-positive CO 2 emissions and that achieving net-negative emissions is only possible by powering the system with renewable electricity or fossil fuel sources equipped with carbon capture and sequestration.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Discovery, characterization, and metabolic engineering of Rieske non-heme iron monooxygenases for guaiacol O-demethylation

Aryl-O-demethylation is a common rate-limiting step in the catabolism of lignin-related compounds, including guaiacol. In this work, we used randomly barcoded transposon insertion sequencing (RB-TnSeq) in the bacterium Novosphingobium aromaticivorans to identify a Rieske-type guaiacol O-demethylase, GdmA. Similarity searches identified GdmA homologs in other bacteria, along with candidate reductase partners, denoted GdmB. GdmAB combinations were biochemically characterized for activity with several lignin-related substrates. Structural and sequence comparisons of vanillate- and guaiacol-specific O-demethylase active sites revealed conserved hallmarks of substrate specificity. GdmAB combinations were also evaluated in Pseudomonas putida KT2440, which does not natively utilize guaiacol. GdmAB from Cupriavidus necator N-1 demonstrated the highest rate of guaiacol turnover in vitro and in engineered P. putida strains and notably higher catalytic efficiency than a cytochrome P450 system (GcoAB) and the vanillate Rieske-type O-demethylase from P. putida (VanAB). The GdmAB O-demethylases described here expand the suite of options for microbial conversion of a model lignin-derived substrate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Fatigue crack growth resistance of a mesoscale composite microstructure Haynes 282 fabricated via electron beam melting additive manufacturing

Materials synthesis via additive manufacturing gives unprecedented control over the solidified microstructure. While a number of studies have demonstrated the ability to produce spatially varying microstructures, little work exists to understand the behavior of such “composite” materials. In this work, we utilized electron beam melting to process Ni-based superalloy Haynes 282 and produce compact tension samples with a spatially varying mesoscale structure. Fatigue crack growth experiments reveal that the crack growth rate is dependent on the degree of microstructural heterogeneity. This work demonstrates that the crack growth resistance can be tailored within a component using electron beam melting additive manufacturing.

36 MATERIALS SCIENCE↗

NASA NTRS1990

Vector Sum Excited Linear Prediction (VSELP) speech coding at 4.8 kbps

Code Excited Linear Prediction (CELP) speech coders exhibit good performance at data rates as low as 4800 bps. The major drawback to CELP type coders is their larger computational requirements. The Vector Sum Excited Linear Prediction (VSELP) speech coder utilizes a codebook with a structure which allows for a very efficient search procedure. Other advantages of the VSELP codebook structure is discussed and a detailed description of a 4.8 kbps VSELP coder is given. This coder is an improved version of the VSELP algorithm, which finished first in the NSA's evaluation of the 4.8 kbps speech coders. The coder uses a subsample resolution single tap long term predictor, a single VSELP excitation codebook, a novel gain quantizer which is robust to channel errors, and a new adaptive pre/postfilter arrangement.

Gerson, Ira A.↗

NASA NTRS2002

An Efficient Scheme for Updating Sparse Cholesky Factors

Raghavan had earlier developed the software package DCSPACK which can be used for solving sparse linear systems where the coefficient matrix is symmetric and positive definite (this project was not funded by NASA but by agencies such as NSF). DSCPACK-S is the serial code and DSCPACK-P is a parallel implementation suitable for multiprocessors or networks-of-workstations with message passing using MCI. The main algorithm used is the Cholesky factorization of a sparse symmetric positive positive definite matrix A = LL(T). The code can also compute the factorization A = LDL(T). The complexity of the software arises from several factors relating to the sparsity of the matrix A. A sparse N x N matrix A has typically less that cN nonzeroes where c is a small constant. If the matrix were dense, it would have O(N2) nonzeroes. The most complicated part of such sparse Cholesky factorization relates to fill-in, i.e., zeroes in the original matrix that become nonzeroes in the factor L. An efficient implementation depends to a large extent on complex data structures and on techniques from graph theory to reduce, identify, and manage fill. DSCPACK is based on an efficient multifrontal implementation with fill-managing algorithms and implementation arising from earlier research by Raghavan and others. Sparse Cholesky factorization is typically a four step process: (1) ordering to compute a fill-reducing numbering, (2) symbolic factorization to determine the nonzero structure of L, (3) numeric factorization to compute L, and, (4) triangular solution to solve L(T)x = y and Ly = b. The first two steps are symbolic and are performed using the graph of the matrix. The numeric factorization step is of dominant cost and there are several schemes for improving performance by exploiting the nested and dense structure of groups of columns in the factor. The latter are aimed at better utilization of the cache-memory hierarchy on modem processors to prevent cache-misses and provide execution rates (operations/second) that are close to the peak rates for dense matrix computations. Currently, EPISCOPACY is being used in an application at NASA directed by J. Newman and M. James. We propose the implementation of efficient schemes for updating the LL(T) or LDL(T) factors computed in DSCPACK-S to meet the computational requirements of their project. A brief description is provided in the next section.

Raghavan, Padma↗

NASA NTRS2002

Life-Extending Control for Aircraft Engines Studied

Current aircraft engine controllers are designed and operated to provide both performance and stability margins. However, the standard method of operation results in significant wear and tear on the engine and negatively affects the on-wing life--the time between cycles when the engine must be physically removed from the aircraft for maintenance. The NASA Glenn Research Center and its industrial and academic partners have been working together toward a new control concept that will include engine life usage as part of the control function. The resulting controller will be able to significantly extend the engine's on-wing life with little or no impact on engine performance and operability. The new controller design will utilize damage models to estimate and mitigate the rate and overall accumulation of damage to critical engine parts. The control methods will also provide a means to assess tradeoffs between performance and structural durability on the basis of mission requirements and remaining engine life. Two life-extending control methodologies were studied to reduce the overall life-cycle cost of aircraft engines. The first methodology is to modify the baseline control logic to reduce the thermomechanical fatigue (TMF) damage of cooled stators during acceleration. To accomplish this, an innovative algorithm limits the low-speed rotor acceleration command when the engine has reached a threshold close to the requested thrust. This algorithm allows a significant reduction in TMF damage with only a very small increase in the rise time to reach the commanded rotor speed. The second methodology is to reduce stress rupture/creep damage to turbine blades and uncooled stators by incorporating an engine damage model into the flight mission. Overall operation cost is reduced by an optimization among the flight time, fuel consumption, and component damages. Recent efforts have focused on applying life-extending control technology to an existing commercial turbine engine, and doing so without modifying the hardware or adding sensors. This approach makes it possible to retrofit existing engines with life-extending control technology by changing only the control software in the full-authority digital engine controller (FADEC). The significant results include demonstrating a 20- to 30-percent reduction in TMF damage to the hot section by developing and implementing smart acceleration logic during takeoff. The tradeoff is an increase, from 5.0 to 5.2 sec, in the time required to reach maximum power from ground idle. On a typical flight profile of a cruise at Mach 0.8 at an altitude of 41,000 ft, and cruise time of 104 min, the optimized system showed that a reduction in cruise speed from Mach 0.8 to 0.79 can achieve an estimated 25-to 35-percent creep/rupture damage reduction in the engine's hot section and a fuel savings of 2.1 percent. The tradeoff is an increase in flight time of 1.3 percent (1.4 min).

Guo, Te-Huei↗

NASA NTRS2014

Multilayer Thermal Barrier Coating (TBC) Architectures Utilizing Rare Earth Doped YSZ and Rare Earth Pyrochlores

To allow for increased gas turbine efficiencies, new insulating thermal barrier coatings (TBCs) must be developed to protect the underlying metallic components from higher operating temperatures. This work focused on using rare earth doped (Yb and Gd) yttria stabilized zirconia (t' Low-k) and Gd2Zr2O7 pyrochlores (GZO) combined with novel nanolayered and thick layered microstructures to enable operation beyond the 1200 C stability limit of current 7 wt% yttria stabilized zirconia (7YSZ) coatings. It was observed that the layered system can reduce the thermal conductivity by approximately 45 percent with respect to YSZ after 20 hr of testing at 1316 C. The erosion rate of GZO is shown to be an order to magnitude higher than YSZ and t' Low-k, but this can be reduced by almost 57 percent when utilizing a nanolayered structure. Lastly, the thermal instability of the layered system is investigated and thought is given to optimization of layer thickness.

Thermal Barrier Coating↗