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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 55 records · Page 3

Robust Trajectory Optimization for NRHO Rendezvous Using SPICE Kernel Relative Motion

In this paper, robust optimization is performed on trajectory correction maneuvers during the lunar lander return phase of an Artemis mission, treating the trajectory from one hour after low lunar orbit departure to arrival in the vicinity of the lunar Gateway as a relative motion problem. To enable rapid stochastic optimization techniques requiring many candidate trajectories, SPICE kernel relative motion as implemented by the Quadratic Interpolated State Transition (QIST) system is used as the underlying dynamics propagation. The optimization is performed with a genetic optimizer using linear covariance (LinCov) software in a simplified operational context, taking into account the availability of navigation sensors with varying measurement models, ranges, and accuracies. No numerical integration is used, since the relative motion around Gateway is fully characterized with the a priori computation of the QIST coefficients. Maneuver placements are computed to optimize the minimum 3σ delta-v of the trajectory, the position dispersion at a target point, and a convex combination of these two metrics. An order of magnitude runtime improvement is provided over legacy methods with less than 10% error introduced. All QIST results are shown to be in-family with legacy methods. The tradespace for optimal delta-v design is found to range from 77.0 to 93.9 m/s, while the range of optimal dispersion is between 1.4 and 11.7 km.

Relative Motion↗

Pareto Optimization of Oligomer Polarizability and Dipole Moment Using a Genetic Algorithm

High-performance electronic components are highly sought after in order to produce increasingly smaller and cheaper electronic devices. Drawing inspiration from inorganic dielectric materials, in which both polarizability and polarization contribute, organic materials can also maximize both. For a large set of small molecules drawn from PubChem, a Pareto-like front appears between the polarizability and dipole moment, indicating the presence of an apparent trade-off between these two properties. We tested this balance in π-conjugated materials by searching for novel conjugated hexamers with simultaneously large polar- izabilities and dipole moments with potential use for dielectric materials. Using a genetic algorithm (GA) screening technique in conjunction with an approximate density functional tight-binding method for property calculations, we were able to efficiently search chemical space for optimal hexamers. Given the scope of chemical space, using the GA technique saves considerable time and resources by speeding up molecular searches compared to a systematic search. Here, we also explored the underlying structure–function relationships, including sequence and monomer properties, that characterize large polarizability and dipole moment regimes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Optimization of the Reax force field for the lithium–oxygen system using a high fidelity charge model

Studies using molecular dynamics (MD) have long struggled to simulate the failure modes of materials, predicting unrealistically high ductility and failing to capture brittle fracture. The primary cause of this shortcoming is an inadequate description of bond breaking. While reactive force fields such as ReaxFF show improvements compared to traditional force fields, the charge models used yield unphysical partial charges, especially during dissociation of ionic bonds. This flaw may be remedied by using the atom-condensed Kohn–Sham density functional theory (DFT) approximated to a second order (ACKS2) charge model for determining partial charges. In this work, we present a new ACKS2-enabled Reax force field for fracture simulations of lithium oxide systems, which was obtained by training against an extensive set of DFT, multireference configuration interaction (MRCI), and MRCI+Q reference data using genetic optimization techniques. This new force field significantly improves the bond breaking behavior, but still cannot fully capture the brittle fracture in MD simulations, suggesting more research is needed to improve simulation of brittle fracture.

36 MATERIALS SCIENCE↗

Identification of a pathway for electron uptake in Shewanella oneidensis

Extracellular electron transfer (EET) could enable electron uptake into microbial metabolism for the synthesis of complex, energy dense organic molecules from CO 2 and renewable electricity. Theoretically EET could do this with an efficiency comparable to H 2 -oxidation but without the need for a volatile intermediate and the problems it causes for scale up. However, significant gaps remain in understanding the mechanism and genetics of electron uptake. For example, studies of electron uptake in electroactive microbes have shown a role for the Mtr EET complex in the electroactive microbe Shewanella oneidensis MR-1, though there is substantial variation in the magnitude of effect deletion of these genes has depending on the terminal electron acceptor used. This speaks to the potential for previously uncharacterized and/or differentially utilized genes involved in electron uptake. To address this, we screened gene disruption mutants for 3667 genes, representing ≈99% of all nonessential genes, from the S. oneidensis whole genome knockout collection using a redox dye oxidation assay. Confirmation of electron uptake using electrochemical testing allowed us to identify five genes from S. oneidensis that are indispensable for electron uptake from a cathode. Knockout of each gene eliminates extracellular electron uptake, yet in four of the five cases produces no significant defect in electron donation to an anode. This result highlights both distinct electron uptake components and an electronic connection between aerobic and anaerobic electron transport chains that allow electrons from the reversible EET machinery to be coupled to different respiratory processes in S. oneidensis. Homologs to these genes across many different genera suggesting that electron uptake by EET coupled to respiration could be widespread. These gene discoveries provide a foundation for: studying this phenotype in exotic metal-oxidizing microbes, genetic optimization of electron uptake in S. oneidensis; and genetically engineering electron uptake into a highly tractable host like E. coli to complement recent advances in synthetic CO2 fixation.

59 BASIC BIOLOGICAL SCIENCES↗

Transonic Wing Shape Optimization Using a Genetic Algorithm

A method for aerodynamic shape optimization based on a genetic algorithm approach is demonstrated. The algorithm is coupled with a transonic full potential flow solver and is used to optimize the flow about transonic wings including multi-objective solutions that lead to the generation of pareto fronts. The results indicate that the genetic algorithm is easy to implement, flexible in application and extremely reliable.

Holst, Terry L.↗

OPTIMIZATION OF COOLING DISTRIBUTION OF THE EIC SHC COOLER ERL

The Electron-Ion Collider (EIC) Hadron Storage Ring (HSR) will use strong hadron cooling to maintain the beam brightness and high luminosity during long collision ex?periments. An Energy Recovery Linac is used to deliver the high-current high-brightness electron beam for cooling. For the best cooling effect, the electron beam requires low emittance, small energy spread, and uniform longitudinal distribution. In this work, we simulate and optimize the longitudinal laser-beam distribution shaping at the photo?cathode, modeling space charge forces accurately. Machine parameters such as RF cavity phases are optimized in con?junction with the beam distribution using a genetic optimizer. We demonstrate improvement of the cooling distribution in key parameters.

Wang, N.↗

Genetic Algorithms Applied to Multi-Objective Aerodynamic Shape Optimization

A genetic algorithm approach suitable for solving multi-objective optimization problems is described and evaluated using a series of aerodynamic shape optimization problems. Several new features including two variations of a binning selection algorithm and a gene-space transformation procedure are included. The genetic algorithm is suitable for finding pareto optimal solutions in search spaces that are defined by any number of genes and that contain any number of local extrema. A new masking array capability is included allowing any gene or gene subset to be eliminated as decision variables from the design space. This allows determination of the effect of a single gene or gene subset on the pareto optimal solution. Results indicate that the genetic algorithm optimization approach is flexible in application and reliable. The binning selection algorithms generally provide pareto front quality enhancements and moderate convergence efficiency improvements for most of the problems solved.

Holst, Terry L.↗

Genetic Algorithms Applied to Multi-Objective Aerodynamic Shape Optimization

A genetic algorithm approach suitable for solving multi-objective problems is described and evaluated using a series of aerodynamic shape optimization problems. Several new features including two variations of a binning selection algorithm and a gene-space transformation procedure are included. The genetic algorithm is suitable for finding Pareto optimal solutions in search spaces that are defined by any number of genes and that contain any number of local extrema. A new masking array capability is included allowing any gene or gene subset to be eliminated as decision variables from the design space. This allows determination of the effect of a single gene or gene subset on the Pareto optimal solution. Results indicate that the genetic algorithm optimization approach is flexible in application and reliable. The binning selection algorithms generally provide Pareto front quality enhancements and moderate convergence efficiency improvements for most of the problems solved.

Holst, Terry L.↗

Modeling the CEBAF Injector at 200 kV: Investigating K-Long Beam Conditions with and without Wien Filter

The upcoming K-Long experiment [1] ain Hall D at Jefferson Lab presents unique beam requirements, featuring a significantly low bunch repetition rate and an unusually high bunch charge. This experiment, which utilizes the CEBAF accelerator in conjunction with the GlueX experimental setup, aims to study strange hadron spectroscopy by measuring the differential cross section and polarizations of produced hyperons such as Λ, Σ, Ξ, and Ω. By directing an intense K-Long beam towards the LD2/LH2 target, new and valuable data can be obtained. To optimize the CEBAF injector specifically for this experiment, we employed Multi-Objective Genetic Optimization (MGO) using General Particle Tracer (GPT) simulations. Through this approach, we determined the optimal magnetic elements and radiofrequency (RF) settings required to achieve a K-Long bunch charge of 0.64 pC at an energy of 200 kV. We conducted simulations with both the Wien Filter turned on and off to examine its impact on the beam. Furthermore, we investigated the transmission efficiency and beam characteristics of electron beams with varying charge per bunch through the injector, considering the simultaneous operation of all four CEBAF Halls. The results of our study offer valuable insights and guidance for optimizing the CEBAF injector not only for the Jefferson Lab K-Long experiment but also for other experiments that entail similar beam conditions.

Pokharel, Sunil↗

Modeling for the phased injector upgrade for 12 GeV CEBAF

The upcoming Jefferson Lab K-Long experiment at Hall D will require unique beam conditions with a much lower bunch repetition rate and atypically high bunch charge. To optimize the Continuous Electron Beam Accelerator Facility (CEBAF) injector for this experiment, we performed Multi-Objective Genetic Optimization (MGO) using General Particle Tracer (GPT) to determine the magnetic elements and RF settings necessary for the K-long bunch charge (0.64 pC) at 200 kV. We also investigated the transmission and beam characteristics of low to high charge per bunch electron beams through the injector for simultaneous operations of all four CEBAF Halls and characterized the transmission as a function of the photocathode laser spot size and pulse length. Our findings provide valuable insights into optimizing the CEBAF injector for the Jefferson Lab K-Long experiment, as well as for other experiments with similar beam conditions

Kazimi, R.↗

New approaches to optimization in aerospace conceptual design

Aerospace design can be viewed as an optimization process, but conceptual studies are rarely performed using formal search algorithms. Three issues that restrict the success of automatic search are identified in this work. New approaches are introduced to address the integration of analyses and optimizers, to avoid the need for accurate gradient information and a smooth search space (required for calculus-based optimization), and to remove the restrictions imposed by fixed complexity problem formulations. (1) Optimization should be performed in a flexible environment. A quasi-procedural architecture is used to conveniently link analysis modules and automatically coordinate their execution. It efficiently controls a large-scale design tasks. (2) Genetic algorithms provide a search method for discontinuous or noisy domains. The utility of genetic optimization is demonstrated here, but parameter encodings and constraint-handling schemes must be carefully chosen to avoid premature convergence to suboptimal designs. The relationship between genetic and calculus-based methods is explored. (3) A variable-complexity genetic algorithm is created to permit flexible parameterization, so that the level of description can change during optimization. This new optimizer automatically discovers novel designs in structural and aerodynamic tasks.

Gage, Peter J.↗

Robust Trajectory Optimization and GN&C Performance Analysis for NRHO Rendezvous

This paper evaluates several candidate Near-Rectilinear Halo Orbits (NRHO) rendezvous trajectory designs using linear covariance (LinCov) analysis and determines the optimal locations for NRHO rendezvous translational maneuver locations. The performance of several candidate relative trajectory designs are determined as a function of relative navigation accuracy (angles only), inertial optical navigation (OpNav), range observability maneuvers, maneuver execution errors, relative maneuver targeting, and environment uncertainties. Further, the optimal locations of rendezvous maneuvers are determined for each of the candidate reference trajectories. The long-term goal of this research is to utilize LinCov and a genetic optimization algorithm (GA) to determine a complete end-to-end optimal NRHO trajectory design that is robust to navigation errors, maneuver execution errors, and environment uncertainties. This paper represents a first step toward this goal. Three candidate rendezvous trajectories with varying numbers of range-observability maneuvers are evaluated for their robustness to uncertainties, errors, and total trajectory correction delta-v performance. Some key elements of this analysis include relative navigation performance in an NRHO, relative trajectory dispersion performance, and total 3-sigma delta-v performance. This development provides the foundation to then determine an optimal and robust end-to-end NRHO rendezvous trajectory, including the determination of the optimal locations of range observability maneuvers, if needed.

Linear Covariance Analysis↗

Orbit design and optimization based on global telecommunication performance metrics

The orbit selection of telecommunications orbiters is one of the critical design processes and should be guided by global telecom performance metrics and mission-specific constraints. In order to aid the orbit selection, we have coupled the Telecom Orbit Analysis and Simulation Tool (TOAST) with genetic optimization algorithms. As a demonstration, we have applied the developed tool to select an optimal orbit for general Mars telecommunications orbiters with the constraint of being a frozen orbit. While a typical optimization goal is to minimize tele-communications down time, several relevant performance metrics are examined: 1) area-weighted average gap time, 2) global maximum of local maximum gap time, 3) global maximum of local minimum gap time. Optimal solutions are found with each of the metrics. Common and different features among the optimal solutions as well as the advantage and disadvantage of each metric are presented. The optimal solutions are compared with several candidate orbits that were considered during the development of Mars Telecommunications Orbiter.

genetic algorithms↗

Optimal placement of tuning masses on truss structures by genetic algorithms

Optimal placement of tuning masses, actuators and other peripherals on large space structures is a combinatorial optimization problem. This paper surveys several techniques for solving this problem. The genetic algorithm approach to the solution of the placement problem is described in detail. An example of minimizing the difference between the two lowest frequencies of a laboratory truss by adding tuning masses is used for demonstrating some of the advantages of genetic algorithms. The relative efficiencies of different codings are compared using the results of a large number of optimization runs.

Ponslet, Eric↗

Phase retrieval and reconstruction of coherent synthesis by genetic algorithm

Abstract In the context of diffractive optics, phase retrieval is a heavily investigated process of recreating an entire complex electric field from partial amplitude-only information through iterative algorithms. However, existing methods can fall into local minima during reconstructions or struggle to recover unusual and novel electric field distributions. We present a numerical method based on a global-optimization genetic algorithm that reconstructs non-trivial electric field distributions from single diffracted intensity distributions. Diffraction and propagation of the optical fields over arbitrary distances is modeled through implementation of the angular spectrum technique. Additionally, a coherently-locked laser array system is used as an experimental case-study demonstrating 0.09 π phase reconstruction accuracy of initial laser parameters from single intensity images.

59 BASIC BIOLOGICAL SCIENCES↗

Rapid discovery and evolution of nanosensors containing fluorogenic amino acids

Binding-activated optical sensors are powerful tools for imaging, diagnostics, and biomolecular sensing. However, biosensor discovery is slow and requires tedious steps in rational design, screening, and characterization. Here we report on a platform that streamlines biosensor discovery and unlocks directed nanosensor evolution through genetically encodable fluorogenic amino acids (FgAAs). Building on the classical knowledge-based semisynthetic approach, we engineer ~15 kDa nanosensors that recognize specific proteins, peptides, and small molecules with up to 100-fold fluorescence increases and subsecond kinetics, allowing real-time and wash-free target sensing and live-cell bioimaging. An optimized genetic code expansion chemistry with FgAAs further enables rapid (~3 h) ribosomal nanosensor discovery via the cell-free translation of hundreds of candidates in parallel and directed nanosensor evolution with improved variant-specific sensitivities (up to ~250-fold) for SARS-CoV-2 antigens. Altogether, this platform could accelerate the discovery of fluorogenic nanosensors and pave the way to modify proteins with other non-standard functionalities for diverse applications.

Biosensors↗

Nemesis Autonomous Test System

A generalized framework has been developed for systems validation that can be applied to both traditional and autonomous systems. The framework consists of an automated test case generation and execution system called Nemesis that rapidly and thoroughly identifies flaws or vulnerabilities within a system. By applying genetic optimization and goal-seeking algorithms on the test equipment side, a "war game" is conducted between a system and its complementary nemesis. The end result of the war games is a collection of scenarios that reveals any undesirable behaviors of the system under test. The software provides a reusable framework to evolve test scenarios using genetic algorithms using an operation model of the system under test. It can automatically generate and execute test cases that reveal flaws in behaviorally complex systems. Genetic algorithms focus the exploration of tests on the set of test cases that most effectively reveals the flaws and vulnerabilities of the system under test. It leverages advances in state- and model-based engineering, which are essential in defining the behavior of autonomous systems. It also uses goal networks to describe test scenarios.

Barltrop, Kevin J.↗

A Novel, Real-Valued Genetic Algorithm for Optimizing Radar Absorbing Materials

A novel, real-valued Genetic Algorithm (GA) was designed and implemented to minimize the reflectivity and/or transmissivity of an arbitrary number of homogeneous, lossy dielectric or magnetic layers of arbitrary thickness positioned at either the center of an infinitely long rectangular waveguide, or adjacent to the perfectly conducting backplate of a semi-infinite, shorted-out rectangular waveguide. Evolutionary processes extract the optimal physioelectric constants falling within specified constraints which minimize reflection and/or transmission over the frequency band of interest. This GA extracted the unphysical dielectric and magnetic constants of three layers of fictitious material placed adjacent to the conducting backplate of a shorted-out waveguide such that the reflectivity of the configuration was 55 dB or less over the entire X-band. Examples of the optimization of realistic multi-layer absorbers are also presented. Although typical Genetic Algorithms require populations of many thousands in order to function properly and obtain correct results, verified correct results were obtained for all test cases using this GA with a population of only four.

Hall, John Michael↗