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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 19 records

Parallel Battery: The Framework and Process for an Intelligent and Ecological Battery System and Related Services

The concept, framework, process methodology and applications of parallel battery were proposed from both virtual and real aspects.The parallel battery was an application of ACP-based parallel intelligence in battery and related energy system areas.The real battery system was running with its equivalent, and the artificial battery system was in a virtual space, in a parallel and interactive manner.The artificial battery system contained the descriptive, predictive, and prescriptive functions on the real battery and related energy systems.There was a closed-loop workflow between the real battery system and the artificial battery system, which iteratively optimizes the battery and related energy systems, leading to a new paradigm of intelligent and ecological parallel battery system management.

ACP approach↗

Metabolic engineering strategies for producing decanoic acid and related oleochemicals: 1-decanol, 2-nonanone, and poly(3-hydroxydecanoate) in Escherichia coli

Medium-chain (mc-) oleochemicals are an important class of renewable chemicals with broad industrial applications; however, their sustainable microbial production remains challenging. In this study, we developed a versatile metabolic engineering and fed-batch strategy to produce C 10 -oleochemicals in Escherichia coli. Central to this approach is an engineered mc-acyl-ACP thioesterase Cl FatB3-tr-D10S with C 10 species accounting for around 70% of the total fatty acids produced. To expand product diversity, we established a decanoyl-CoA pool through co-expression of fadD, enabling downstream conversion into multiple product classes. Through pathway tuning, enzyme bioprospecting, strain engineering and fermentation optimization strategies, we demonstrated selective production of 1-decanol, 2-nonanone and poly(3-hydroxydecanoate) (C 10 -PHA). Production of decanoic acid and 1-decanol were achieved by optimizing expression of Cl fatB3-tr-D10S and, Mt fadD6 and Ma acr, respectively. Leveraging β-oxidation enabled the production of β-ketoacyl-CoA intermediates, which were converted to 2-nonanone via heterologous Mlu fadE, Vf fadB and Ps fadM expression. Additionally, expression of phaJ2 and phaC2 facilitated the conversion of decanoyl-CoA pool into C 10 -PHA homopolymer. Altogether, this work demonstrates a versatile and tunable platform for medium-chain oleochemical production.

1-Decanol↗

In-Space Chemical Propulsion System Model

Multiple, new technologies for chemical systems are becoming available and include high temperature rockets, very light propellant tanks and structures, new bipropellant and monopropellant options, lower mass propellant control components, and zero boil off subsystems. Such technologies offer promise of increasing the performance of in-space chemical propulsion for energetic space missions. A mass model for pressure-fed, Earth and space-storable, advanced chemical propulsion systems (ACPS) was developed in support of the NASA MSFC In-Space Propulsion Program. Data from flight systems and studies defined baseline system architectures and subsystems and analyses were formulated for parametric scaling relationships for all ACPS subsystems. The paper will first provide summary descriptions of the approaches used for the systems and the subsystems and then present selected analyses to illustrate use of the model for missions with characteristics of current interest.

Byers, David C.↗

In-Space Chemical Propulsion System Model

Multiple, new technologies for chemical systems are becoming available and include high temperature rockets, very light propellant tanks and structures, new bipropellant and monopropellant options, lower mass propellant control components, and zero boil off subsystems. Such technologies offer promise of increasing the performance of in-space chemical propulsion for energetic space missions. A mass model for pressure-fed, Earth and space-storable, advanced chemical propulsion systems (ACPS) was developed in support of the NASA MSFC In-Space Propulsion Program. Data from flight systems and studies defined baseline system architectures and subsystems and analyses were formulated for parametric scaling relationships for all ACPS subsystem. The paper will first provide summary descriptions of the approaches used for the systems and the subsystems and then present selected analyses to illustrate use of the model for missions with characteristics of current interest.

Byers, David C.↗

Advanced Chemical Propulsion

Advanced Chemical Propulsion (ACP) provides near-term incremental improvements in propulsion system performance and/or cost. It is an evolutionary approach to technology development that produces useful products along the way to meet increasingly more demanding mission requirements while focusing on improving payload mass fraction to yield greater science capability. Current activities are focused on two areas: chemical propulsion component, subsystem, and manufacturing technologies that offer measurable system level benefits; and the evaluation of high-energy storable propellants with enhanced performance for in-space application. To prioritize candidate propulsion technology alternatives, a variety of propulsion/mission analyses and trades have been conducted for SMD missions to yield sufficient data for investment planning. They include: the Advanced Chemical Propulsion Assessment; an Advanced Chemical Propulsion System Model; a LOx-LH2 small pumps conceptual design; a space storables propellant study; a spacecraft cryogenic propulsion study; an advanced pressurization and mixture ratio control study; and a pump-fed vs. pressure-fed study.

Alexander, Leslie, Jr.↗

Ultrasonic Characterization of Aerospace Composites

Composite materials have seen an increased use in aerospace in recent years and it is expected that this trend will continue due to the benefits of reduced weight, increased strength, and other factors. Ongoing work at NASA involves the investigation of the large-scale use of composites for spacecraft structures (SLS components, Orion Composite Crew Module, etc). NASA is also involved in work to enable the use of composites in advanced aircraft structures through the Advanced Composites Project (ACP). In both areas (space and aeronautics) there is a need for new nondestructive evaluation and materials characterization techniques that are appropriate for characterizing composite materials. This paper will present an overview of NASA's needs for characterizing aerospace composites, including a description of planned and ongoing work under ACP for the detection of composite defects such as fiber waviness, reduced bond strength, delamination damage, and microcracking. The research approaches include investigation of angle array, guided wave, and phase sensitive ultrasonic methods. The use of ultrasonic simulation tools for optimizing and developing methods will also be discussed.

Leckey, Cara↗

Dynamic control over feedback regulatory mechanisms improves NADPH flux and xylitol biosynthesis in engineered E. coli

We report improved NADPH flux and xylitol biosynthesis in engineered E. coli. Xylitol is produced from xylose via an NADPH dependent reductase. We utilize 2-stage dynamic metabolic control to compare two approaches to optimize xylitol biosynthesis, a stoichiometric approach, wherein competitive fluxes are decreased, and a regulatory approach wherein the levels of key regulatory metabolites are reduced. The stoichiometric and regulatory approaches lead to a 20-fold and 90-fold improvement in xylitol production, respectively. Strains with reduced levels of enoyl-ACP reductase and glucose-6-phosphate dehydrogenase, led to altered metabolite pools resulting in the activation of the membrane bound transhydrogenase and an NADPH generation pathway, consisting of pyruvate ferredoxin oxidoreductase coupled with NADPH dependent ferredoxin reductase, leading to increased NADPH fluxes, despite a reduction in NADPH pools. Furthermore, these strains produced titers of 200 g/L of xylitol from xylose at 86% of theoretical yield in instrumented bioreactors. We expect dynamic control over the regulation of the membrane bound transhydrogenase as well as NADPH production through pyruvate ferredoxin oxidoreductase to broadly enable improved NADPH dependent bioconversions or production via NADPH dependent metabolic pathways.

59 BASIC BIOLOGICAL SCIENCES↗

Analysis of Open Hole Compression Specimens Using the CompDam Continuum Damage Mechanics Model

This report documents a validation study on the standard Open Hole Compression (OHC) laminate test specimen conducted as part of the NASA Advanced Composites Project (ACP). Tests were conducted on OHC specimens with hard, quasi-isotropic, and soft layups using digital image correlation and X-Ray computed tomography to capture the structural response and damage evolution. Progressive damage models were constructed for use with the CompDam continuum damage mechanics code following the best practices established during the ACP. Detailed interrogation of the analysis results and comparison with experimental measurements provide a basis for assessing the capability of the modeling approach for OHC. The structural response is found to be captured well, with strengths predicted within 3\% of the experimental values for hard and quasi-isotropic laminates. In the soft laminate, the model predicts failure to be more brittle than the nonlinear, ductile response that was measured. Damage states extracted from the models at the same load level as test measurements are overlaid to show directly the similarities and differences between test and analysis results. Studying the damage evolution predicted by the analysis reveals that the failure process is a competition between fiber damage and delamination/sub-laminate buckling, with fiber damage dominating the collapse in the hard laminate and sub-laminate buckling governing in the soft laminate. Finally, a series of parametric studies varying numerical solution parameters (mesh size, mass scaling) and physical properties (fiber direction compressive strength and toughness) reveal sensitivities and deficiencies of the model. To the authors' knowledge, this study is the first for OHC specimens to include detailed evaluation of damage mode interactions, direct overlay of predicted and measured damage states, and sensitivity of the predicted results to difficult-to-measure fiber direction material properties.

Continuum damage mechanics↗

Metabolic engineering of β-oxidation to leverage thioesterases for production of 2-heptanone, 2-nonanone and 2-undecanone

Medium-chain length methyl ketones are potential blending fuels due to their cetane numbers and low melting temperatures. Biomanufacturing offers the potential to produce these molecules from renewable resources such as lignocellulosic biomass. Here, we designed and tested metabolic pathways in Escherichia coli to specifically produce 2-heptanone, 2-nonanone and 2-undecanone. We achieved substantial production of each ketone by introducing chain-length specific acyl-ACP thioesterases, blocking the β-oxidation cycle at an advantageous reaction, and introducing active β-ketoacyl-CoA thioesterases. Using a bioprospecting approach, we identified fifteen homologs of E. coli β-ketoacyl-CoA thioesterase (FadM) and evaluated the in vivo activity of each against various chain length substrates. The FadM variant from Providencia sneebia produced the most 2-heptanone, 2-nonanone, and 2-undecanone, suggesting it has the highest activity on the corresponding β-ketoacyl-CoA substrates. We further tested enzyme variants, including acyl-CoA oxidases, thiolases, and bi-functional 3-hydroxyacyl-CoA dehydratases to maximize conversion of fatty acids to β-keto acyl-CoAs for 2-heptanone, 2-nonanone, and 2-undecanone production. In order to address the issue of product loss during fermentation, we applied a 20% (v/v) dodecane layer in the bioreactor and built an external water cooling condenser connecting to the bioreactor heat-transferring condenser coupling to the condenser. Finally, using these modifications, we were able to generate up to 4.4 g/L total medium-chain length methyl ketones.

2-Heptanone↗

Data for Metabolic Engineering of β-Oxidation to Leverage Thioesterases for Production of 2-Heptanone, 2-Nonanone, and 2-Undecanone

Medium-chain length methyl ketones are potential blending fuels due to their cetane numbers and low melting temperatures. Biomanufacturing offers the potential to produce these molecules from renewable resources such as lignocellulosic biomass. In this work, we designed and tested metabolic pathways in Escherichia coli to specifically produce 2-heptanone, 2-nonanone and 2-undecanone. We achieved substantial production of each ketone by introducing chain-length specific acyl-ACP thioesterases, blocking the β-oxidation cycle at an advantageous reaction, and introducing active β-ketoacyl-CoA thioesterases. Using a bioprospecting approach, we identified 15 homologs of E. coli β-ketoacyl-CoA thioesterase (FadM) and evaluated the in vivo activity of each against various chain length substrates. The FadM variant from Providencia sneebia produced the most 2-heptanone, 2-nonanone, and 2-undecanone, suggesting it has the highest activity on the corresponding β-ketoacyl-CoA substrates. We tested enzyme variants, including acyl-CoA oxidases, thiolases, and bi-functional 3-hydroxyacyl-CoA dehydratases to maximize conversion of fatty acids to β-keto acyl-CoAs for 2-heptanone, 2-nonanone, and 2-undecanone production. In order to address the issue of product loss during fermentation, we applied a 20% (v/v) dodecane layer in the bioreactor and built an external water cooling condenser connecting to the bioreactor heat-transferring condenser coupling to the condenser. Using these modifications, we were able to generate up to 4.4 g/L total medium-chain length methyl ketones.

Metabolic Engineering↗

A computational modeling framework for pre-clinical evaluation of cardiac mapping systems

There are a variety of difficulties in evaluating clinical cardiac mapping systems, most notably the inability to record the transmembrane potential throughout the entire heart during patient procedures which prevents the comparison to a relevant “gold standard”. Cardiac mapping systems are comprised of hardware and software elements including sophisticated mathematical algorithms, both of which continue to undergo rapid innovation. The purpose of this study is to develop a computational modeling framework to evaluate the performance of cardiac mapping systems. The framework enables rigorous evaluation of a mapping system’s ability to localize and characterize (i.e., focal or reentrant) arrhythmogenic sources in the heart. The main component of our tool is a library of computer simulations of various dynamic patterns throughout the entire heart in which the type and location of the arrhythmogenic sources are known. Our framework allows for performance evaluation for various electrode configurations, heart geometries, arrhythmias, and electrogram noise levels and involves blind comparison of mapping systems against a “silver standard” comprised of computer simulations in which the precise transmembrane potential patterns throughout the heart are known. A feasibility study was performed using simulations of patterns in the human left atria and three hypothetical virtual catheter electrode arrays. Activation times (AcT) and patterns (AcP) were computed for three virtual electrode arrays: two basket arrays with good and poor contact and one high-resolution grid with uniform spacing. The average root mean squared difference of AcTs of electrograms and those of the nearest endocardial action potential was less than 1 ms and therefore appears to be a poor performance metric. In an effort to standardize performance evaluation of mapping systems a novel performance metric is introduced based on the number of AcPs identified correctly and those considered spurious as well as misclassifications of arrhythmia type; spatial and temporal localization accuracy of correctly identified patterns was also quantified. This approach provides a rigorous quantitative analysis of cardiac mapping system performance. Proof of concept of this computational evaluation framework suggests that it could help safeguard that mapping systems perform as expected as well as provide estimates of system accuracy.

59 BASIC BIOLOGICAL SCIENCES↗

Quantitative trait locus mapping combined with variant and transcriptome analyses identifies a cluster of gene candidates underlying the variation in leaf wax between upland and lowland switchgrass ecotypes

Switchgrass (Panicum virgatum L.) is a promising warm-season candidate energy crop. It occurs in two ecotypes, upland and lowland, which vary in a number of phenotypic traits, including leaf glaucousness. To initiate trait mapping, two F 2 mapping populations were developed by crossing two different F 1 sibs derived from a cross between the tetraploid lowland genotype AP13 and the tetraploid upland genotype VS16, and high-density linkage maps were generated. Quantitative trait locus (QTL) analyses of visually scored leaf glaucousness and of hydrophobicity of the abaxial leaf surface measured using a drop shape analyzer identified highly significant colocalizing QTL on chromosome 7K (Chr07K). Using a multipronged approach, we identified a cluster of genes including Pavir.7KG077009, which encodes a Type III polyketide synthase-like protein, and Pavir.7KG013754 and Pavir.7KG030500, two highly similar genes that encode putative acyl-acyl carrier protein (ACP) thioesterases, as strong candidates underlying the QTL. The lack of homoeologs for any of the three genes on Chr07N, the relatively low level of identity with other switchgrass KCS proteins and thioesterases, as well as the organization of the surrounding region suggest that Pavir.7KG077009 and Pavir.7KG013754/Pavir.7KG030500 were duplicated into a fast-evolving chromosome region, which led to their neofunctionalization. Furthermore, sequence analyses showed all three genes to be absent in the two upland compared to the two lowland accessions analyzed. This study provides an example of and practical guide for trait mapping and candidate gene identification in a complex genetic system by combining QTL mapping, transcriptomics and variant analysis.

59 BASIC BIOLOGICAL SCIENCES↗

EnZymClass: Substrate specificity prediction tool of plant acyl-ACP thioesterases based on ensemble learning

Characterizing the functional properties of plant acyl-ACP thioesterases (TEs), a key enzyme class used in the production of renewable oleochemicals in microbial hosts, experimentally, can be an expensive and time consuming process since it requires manual screening of thousands of candidates in a database. Using amino acid sequence to computationally predict an enzyme’s function might accelerate this process; however obtaining the necessary amount of information on previously characterized enzymes and their respective sequences required by standard Machine Learning (ML) based approaches to accurately infer sequence-function relationships can be prohibitive, especially with a low-throughput testing cycle. Experimental noise, unbalanced dataset where high sequence similarity does not always imply identical functional properties will further prevent robust prediction performance. Herein we present a ML method, Ensemble method for enZyme Classification (EnZymClass), that is specifically designed to address these issues. We used EnZymClass to classify TEs into short, long and mixed free fatty acid substrate specificity categories. While general guidelines for inferring substrate specificity have been proposed before, prediction of chain-length preference from primary sequence has remained elusive for plant acyl-ACP TEs. By applying EnZymClass to a subset of TEs in the ThYme database, we identified two medium chain TEs, ClFatB3 and CwFatB2, with previously uncharacterized activity in E. coli fatty acid production hosts.

59 BASIC BIOLOGICAL SCIENCES↗

deeprob/ThioesteraseEnzymeSpecificity: EnZymClass-first-release

Characterizing the functional properties of plant acyl-ACP thioesterases (TEs), a key enzyme class used in the production of renewable oleochemicals in microbial hosts, experimentally, can be an expensive and time consuming process since it requires manual screening of thousands of candidates in a database. Using amino acid sequence to computationally predict an enzyme’s function might accelerate this process; however obtaining the necessary amount of information on previously characterized enzymes and their respective sequences required by standard Machine Learning (ML) based approaches to accurately infer sequence-function relationships can be prohibitive, especially with a low-throughput testing cycle. Experimental noise, unbalanced dataset where high sequence similarity does not always imply identical functional properties will further prevent robust prediction performance. Herein we present a ML method, Ensemble method for enZyme Classification (EnZymClass), that is specifically designed to address these issues. We used EnZymClass to classify TEs into short, long and mixed free fatty acid substrate specificity categories. While general guidelines for inferring substrate specificity have been proposed before, prediction of chain-length preference from primary sequence has remained elusive for plant acyl-ACP TEs. By applying EnZymClass to a subset of TEs in the ThYme database, we identified two medium chain TEs, ClFatB3 and CwFatB2, with previously uncharacterized activity in E. coli fatty acid production hosts.

Banerjee, Deepro↗

Engineering an Extremely Hybrid PKS for Adipic Acid Production

Polyketide synthases (PKSs) are modular enzymes with exceptional potential as biocatalysts for producing non-native compounds. Here, we report the first PKS-based pathway for adipic acid (AA), an industrial monomer for nylon production, by engineering one of the most extensively hybridized PKS systems to date. Using a retrobiosynthetic approach, we identified EtnB, a succinyl-CoA-loading module that uniquely retains the terminal carboxyl group, enabling access to dicarboxylic polyketide products, rarely produced by canonical PKSs. EtnB was coupled to a fully reducing extension module through an engineered communication linker, which improved ACP–KS interactions, enhanced titers, and demonstrated selective succinyl-CoA loading in vivo . This construct integrates genes from five organisms─with domains from seven PKS modules joined across six non-natural junctions─and functions in both Escherichia coli and Pseudomonas putida . Additional engineering that included AT domain exchanges, optimization of extender unit supply, and host strain metabolic rewiring further increased AA production. Together, this work demonstrates that highly chimeric PKSs can be rendered functional through rational design, expands the PKS toolkit with a carboxyl-retaining loading module, and establishes a versatile platform for engineering diacids and other noncanonical products through PKS pathways.

biomanufacturing↗

NASA Advanced Composites Project

The recently-completed NASA Advanced Composites Project (ACP) successfully developed several new technologies aimed at reducing the timeline to design and certify composite aircraft structures. Advancements in the areas of manufacturing simulation, nondestructive inspection and advanced structural design and analysis methodologies were completed in late 2019 under the Advanced Composites Consortium (ACC) public/private partnership as well as NRA-funded university contracts. In the area of Structures, the ACC made significant improvements in rapid design tools for preliminary sizing of structure, along with developing detailed static and fatigue strength prediction methods and methods for modeling high energy impact events in composite structures. These new methodologies and toolsets were validated against a range of representative test data using a comprehensive verification and validation approach which has been published and is now used extensively on other programs. Specific new tool improvements supported by ACC include NASA’s CompDam code and Floating Node Method code. CompDam is now available from NASA as open source code. The team alsoworked on improved impact modeling using LS-Dyna™ and improved delamination modeling using Abaqus™. Rapid design tool improvements are available through Hypersizer. The ACC team released well over 50 publications documenting these method improvements, and the ACP recently received the prestigious NASA Group Achievement Award for their work.Typical Hat Stiffened Panel Test Article Used for Method Validation

ACC↗

Coordination Between Sectors in Shared Airspace Operations

Recent studies have shown that a more efficient use of airspace may involve shared airspace operations, i.e., temporal as well as spatial separation of arrival and departure flows [1][2]. Temporal separation would permit a departure aircraft to fly through an arrival flow, depending on an available gap. This would necessitate careful and precise coordination between controllers in different sectors. Three methods of coordination which permit the penetration of a controller's airspace by another controller's aircraft are described: point out, look-and-go, and prearranged coordination procedure. Requirements of each method are given, along with associated problems that have surfaced in the field as described by Aviation Safety and Reporting System (ASRS) and other reports. A Human-in-the-Loop simulation was designed to compare two of the methods: point out and prearranged coordination procedures. In prearranged coordination procedures (P-ACP), the controllers control an aircraft in another controller's airspace according to specified prearranged procedures, without coordinating each individual aircraft with another controller, as is done with point outs. In the simulation, three experienced controllers rotated through two arrival sectors and a non-involved arrival sector of a Terminal Radar Approach Control (TRACON) airspace. Results of eighteen one-hour simulation runs (nine in each of the two conditions) showed no impact of the coordination method on separation violations nor on arrival times for 208 departing aircraft crossing an arrival stream. Participant assessment indicated that although both coordination conditions were acceptable, the prearranged coordination procedure condition was slightly safer, more efficient, timely, and overall, worked better operationally. Problems arose in the point out condition regarding controllers noticing acceptance of point outs. Also, in about half of the point-out runs, time pressure was felt to have had an impact on when and if the departures could cross an arrival stream. An additional problem with point outs may be confusion in the field about which controller has responsibility for separating point-out aircraft from other aircraft.

Parke, Bonny↗

Validation of Floating Node Method Using Three-Point Bend Doubler Under Quasi-Static Loading

The NASA Advanced Composite Project (ACP), an industry/government/university partnership, has embarked upon the task of developing technology that can aid in reducing the time line for structural certification of aircraft composite parts using a combination of technologies, one of which is high fidelity damage progression computational methods. Phase II of this project included a task for validating an approach based on the Floating Node Method combined with Directional Cohesive Elements (FNM-DCZE). This paper discusses predicted damage onset and growth in a three-point bend doubler specimen compared to experimental results. Sensitivity of the simulations to mesh refinement as well as key material properties and thermal effects are studied and reported. Overall, qualitative results suggest the main aspects of the damage progression have been captured, with the simulated damage morphology and sequence of events resembling closely what was observed experimentally. Quantitatively, the first load-peak is predicted. However, the re-loading observed in the experiments, after the first load peak, is not captured numerically, suggesting further investigation may be worth pursuing.

Selvarathinam, Alex S.↗