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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Asymptotic Giant Branch stars as a source of short-lived radioactive nuclei in the solar nebula

We carried out a theoretical evaluation of the contribution of Asymptotic Giant Branch (AGB) stars to some short-lived (10(exp 6) less than or equal to Tau-bar less than or equal to 2 x 10(exp 7) yr) isotopes in the Interstellar Medium (ISM) and in the early solar system using stellar model calculations for thermally pulsing evolutionary phases of low-mass stars. The yields of s-process nuclei in the convective He-shell for different neutron exposures tau(sub 0) were obtained, and AGB stars were shown to produce several radioactive nuclei (especially Pd-107, Pb-205, Fe-60, Zr-93, Tc-99, Cs-135, and Hf-182) in diferent amounts. Assuming either contamination of the solar nebula from a single AGB star or models for continuous injection and mixing from many stars into the ISM, we calculate the ratios of radioactive to stable nuclei at the epoch of the Sun's formation. The dilution factor between the AGB ejecta and the early solar system matter is obtained by matching the observed Pd-107/Pd-108 and depends on the value of tau(sub 0). It is found that small masses M(sub He) of He-shell material (10(exp -4)-10(exp -7) solar mass) enriched in s-process nuclei are sufficient to contaminate 1 solar mass of the ISM to produce the Pd-107 found in the early solar system. Predictions are made for all of the other radioactive isotopes. The optimal model to explain several observed radioactive species at different states of the proto-solar nebula involves a single AGB star with a low neutron exposure (tau(sub 0) = 0.03 mbarn(sup -1)) which contaminated the cloud with a dilution factor of M(sub He)/solar mass approximately 1.5 x 10(exp -4). This will also contribute newly synthesized stable s-process nuclei in the amount of approximately 10(exp -4) of their abundances already present in the proto-solar cloud. Variations in the degree of homogenization (approximately 30%) of the injected material may account for some of the small general isotopic anomalies found in meteorites. It is also found that Fe-60 is produced in small but significant quantities that may be sufficient to explain the observations if the time elapsed delta from the contamination of the ISM to the formation of protoplanetary bodies is not higher than delta = 5 x 10(exp 6) yr. If delta is longer, up to 10 x 10(exp 6) yr, this would require the single AGB star to experience enhanced neutron densities (n(sub n) approximately 3 x 10(exp 9)n/cu cm) in the s-processing zone in order to compensate for the branching at Fe-59. The alternative model of long-term continuous ejection of matter from many AGB stars does not appear to match the observations. We also estimate the Al-26 production from the H-shell and find that the Al-26 abundance in the early solar system may be readily explained in a self-consistent manner. Moreover, Al-26 from AGB stars may contribute substantially to the galactic Al-26 gamma-source, while no significant gamma-flux from Co-60 (deriving from Fe-60 decay) is to be expected.

Wasserburg, G. J.↗
DOE OSTI2022

End-to-end learning of multiple sequence alignments with differentiable Smith–Waterman

Abstract Motivation Multiple sequence alignments (MSAs) of homologous sequences contain information on structural and functional constraints and their evolutionary histories. Despite their importance for many downstream tasks, such as structure prediction, MSA generation is often treated as a separate pre-processing step, without any guidance from the application it will be used for. Results Here, we implement a smooth and differentiable version of the Smith–Waterman pairwise alignment algorithm that enables jointly learning an MSA and a downstream machine learning system in an end-to-end fashion. To demonstrate its utility, we introduce SMURF (Smooth Markov Unaligned Random Field), a new method that jointly learns an alignment and the parameters of a Markov Random Field for unsupervised contact prediction. We find that SMURF learns MSAs that mildly improve contact prediction on a diverse set of protein and RNA families. As a proof of concept, we demonstrate that by connecting our differentiable alignment module to AlphaFold2 and maximizing predicted confidence, we can learn MSAs that improve structure predictions over the initial MSAs. Interestingly, the alignments that improve AlphaFold predictions are self-inconsistent and can be viewed as adversarial. This work highlights the potential of differentiable dynamic programming to improve neural network pipelines that rely on an alignment and the potential dangers of optimizing predictions of protein sequences with methods that are not fully understood. Availability and implementation Our code and examples are available at: https://github.com/spetti/SMURF. Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1991

Space transfer vehicle concepts and requirements. Volume 1: Executive summary

The objectives of the Space Transfer Vehicle (STV) Concepts and Requirements studies were to provide sensitivity data on usage, economics, and technology associated with new space transportation systems. The study was structured to utilize data on the emerging launch vehicles, the latest mission scenarios, and Space Exploration Initiative (SEI) payload manifesting and schedules, to define a flexible, high performance, cost effective, evolutionary space transportation system for NASA. Initial activities were to support the MSFC effort in the preparation of inputs to the 90 Day Report to the National Space Council (NSC). With the results of this study establishing a point-of-departure for continuing the STV studies in 1990, additional options and mission architectures were defined. The continuing studies will update and expand the parametrics, assess new cargo and manned ETO vehicles, determine impacts on the redefined Phase 0 Space Station Freedom, and to develop a design that encompasses adequate configuration flexibility to ensure compliance with on-going NASA study recommendations with major system disconnects. In terms of general requirements, the objectives of the STV system and its mission profiles will address crew safety and mission success through a failure-tolerant and forgiving design approach. These objectives were addressed through the following: engine-out capability for all mission phases; built-in-test for vehicle health monitoring to allow testing of all critical functions such as, verification of lunar landing and ascent engines before initiating the landing sequence; critical subsystems will have multiple strings for redundancy plus adequate supplies of onboard spares for removal and replacement of failed items; crew radiation protection; and trajectories that optimize lunar and Mars performance and flyby abort capabilities.

Source record↗
NASA NTRS2002

Phylogeny and systematic position of Opiliones: a combined analysis of chelicerate relationships using morphological and molecular data

The ordinal level phylogeny of the Arachnida and the suprafamilial level phylogeny of the Opiliones were studied on the basis of a combined analysis of 253 morphological characters, the complete sequence of the 18S rRNA gene, and the D3 region of the 28S rRNA gene. Molecular data were collected for 63 terminal taxa. Morphological data were collected for 35 exemplar taxa of Opiliones, but groundplans were applied to some of the remaining chelicerate groups. Six extinct terminals, including Paleozoic scorpions, are scored for morphological characters. The data were analyzed using strict parsimony for the morphological data matrix and via direct optimization for the molecular and combined data matrices. A sensitivity analysis of 15 parameter sets was undertaken, and character congruence was used as the optimality criterion to choose among competing hypotheses. The results obtained are unstable for the high-level chelicerate relationships (except for Tetrapulmonata, Pedipalpi, and Camarostomata), and the sister group of the Opiliones is not clearly established, although the monophyly of Dromopoda is supported under many parameter sets. However, the internal phylogeny of the Opiliones is robust to parameter choice and allows the discarding of previous hypotheses of opilionid phylogeny such as the "Cyphopalpatores" or "Palpatores." The topology obtained is congruent with the previous hypothesis of "Palpatores" paraphyly as follows: (Cyphophthalmi (Eupnoi (Dyspnoi + Laniatores))). Resolution within the Eupnoi, Dyspnoi, and Laniatores (the latter two united as Dyspnolaniatores nov.) is also stable to the superfamily level, permitting a new classification system for the Opiliones. c2002 The Willi Hennig Society.

NASA Discipline Evolutionary Biology↗
NASA NTRS1988

Aircraft integrated design and analysis: A classroom experience

AAE 451 is the capstone course required of all senior undergraduates in the School of Aeronautics and Astronautics at Purdue University. During the past year the first steps of a long evolutionary process were taken to change the content and expectations of this course. These changes are the result of the availability of advanced computational capabilities and sophisticated electronic media availability at Purdue. This presentation will describe both the long range objectives and this year's experience using the High Speed Commercial Transport (HSCT) design, the AIAA Long Duration Aircraft design and a Remotely Piloted Vehicle (RPV) design proposal as project objectives. The central goal of these efforts was to provide a user-friendly, computer-software-based, environment to supplement traditional design course methodology. The Purdue University Computer Center (PUCC), the Engineering Computer Network (ECN), and stand-alone PC's were used for this development. This year's accomplishments centered primarily on aerodynamics software obtained from the NASA Langley Research Center and its integration into the classroom. Word processor capability for oral and written work and computer graphics were also blended into the course. A total of 10 HSCT designs were generated, ranging from twin-fuselage and forward-swept wing aircraft, to the more traditional delta and double-delta wing aircraft. Four Long Duration Aircraft designs were submitted, together with one RPV design tailored for photographic surveillance. Supporting these activities were three video satellite lectures beamed from NASA/Langley to Purdue. These lectures covered diverse areas such as an overview of HSCT design, supersonic-aircraft stability and control, and optimization of aircraft performance. Plans for next year's effort will be reviewed, including dedicated computer workstation utilization, remote satellite lectures, and university/industrial cooperative efforts.

Source record↗
NASA NTRS1984

Report of the Panel on Aerodynamics

Progress in aerodynamics over the past 50 years has been evidenced by the development of increasingly sophisticated and efficient flight vehicles throughout the flight spectrum. Advances have generally arisen in an evolutionary manner from experience gained in wind tunnel testing, flight testing, and improvements in analytical and computational capabilities. As a result of this evolutionary development, both military and commercial vehicles operate at a relatively high efficiency level. This observation plus the fact that airplanes have not changed appreciably in outward appearance over recent years has led some skeptics to conclude incorrectly that aerodynamics is a mature technology, with little to be gained from further developments in the field. It is of interest to note that progress in aerodynamics has occurred without a thorough understanding of the fundamental physics of flow, turbulence, vortex dynamics, and separated flow, for example. The present understanding of transition, turbulence, and boundary layer separation is actually very limited. However, these fundamental flow phenomena provide the key to reducing the viscous drag of aircraft. Drag reduction provides the greatest potential for increased flight efficiency from the standpoint of both saving energy and maximizing performance. Recent advances have led to innovative concepts for reducing turbulent friction drag by modifying the turbulent structure within the boundary layer. Further advances in this basic area should lead to methods for reducing skin friction drag significantly. The current challenges for military aircraft open entirely new fields of investigation for the aerodynamicist. The ability through very high speed information processing technology to totally integrate the flight and propulsion controls can permit an aircraft to fly with "complete abandon," avoiding departure, buffet, and other undesirable characteristics. To utilize these new control concepts, complex aerodynamic phenomena will have to be understood, predicted, and controlled. Current requirements for military aircraft include configuration optimization through a widened envelope from subsonic to supersonic and from low to high angles of attack. This task is further complicated by requirements for control of observables. These challenging new designs do not have the luxury of a large experimental data base from which to optimize for various parameter combinations. Consequently, there exists a strong need for better techniques, both experimental and computational, to permit design optimization in a complete sense.

Bradley, Richard G.↗
NASA NTRS2009

NASA Tech Briefs, July 2009

Topics covered include: Dual Cryogenic Capacitive Density Sensor; Hail Monitor Sensor; Miniature Six-Axis Load Sensor for Robotic Fingertip; Improved Blackbody Temperature Sensors for a Vacuum Furnace; Wrap-Around Out-the-Window Sensor Fusion System; Wide-Range Temperature Sensors with High-Level Pulse Train Output; Terminal Descent Sensor Simulation; A Robust Mechanical Sensing System for Unmanned Sea Surface Vehicles; Additive for Low-Temperature Operation of Li-(CF)n Cells; Li/CFx Cells Optimized for Low-Temperature Operation; Number Codes Readable by Magnetic-Field-Response Recorders; Determining Locations by Use of Networks of Passive Beacons; Superconducting Hot-Electron Submillimeter-Wave Detector; Large-Aperture Membrane Active Phased-Array Antennas; Optical Injection Locking of a VCSEL in an OEO; Measuring Multiple Resistances Using Single-Point Excitation; Improved-Bandwidth Transimpedance Amplifier; Inter-Symbol Guard Time for Synchronizing Optical PPM; Novel Materials Containing Single-Wall Carbon Nanotubes Wrapped in Polymer Molecules; Light-Curing Adhesive Repair Tapes; Thin-Film Solid Oxide Fuel Cells; Zinc Alloys for the Fabrication of Semiconductor Devices; Small, Lightweight, Collapsible Glove Box; Radial Halbach Magnetic Bearings; Aerial Deployment and Inflation System for Mars Helium Balloons; Steel Primer Chamber Assemblies for Dual Initiated Pyrovalves; Voice Coil Percussive Mechanism Concept for Hammer Drill; Inherently Ducted Propfans and Bi-Props; Silicon Nanowire Growth at Chosen Positions and Orientations; Detecting Airborne Mercury by Use of Gold Nanowires; Detecting Airborne Mercury by Use of Palladium Chloride; Micro Electron MicroProbe and Sample Analyzer; Nanowire Electron Scattering Spectroscopy; Electron-Spin Filters Would Offer Spin Polarization Greater than 1; Subcritical-Water Extraction of Organics from Solid Matrices; A Model for Predicting Thermoelectric Properties of Bi2Te3; Integrated Miniature Arrays of Optical Biomolecule Detectors; A Software Rejuvenation Framework for Distributed Computing; Kurtosis Approach to Solution of a Nonlinear ICA Problem; Robust Software Architecture for Robots; R4SA for Controlling Robots; Bio-Inspired Neural Model for Learning Dynamic Models; Evolutionary Computing Methods for Spectral Retrieval; Monitoring Disasters by Use of Instrumented Robotic Aircraft; Complexity for Survival of Living Systems; Using Drained Spacecraft Propellant Tanks for Habitation; Connecting Node; and Electrolytes for Low-Temperature Operation of Li-CFx Cells.

Source record↗
NASA NTRS1999

Integrated Modeling Tools for Thermal Analysis and Applications

Integrated modeling of spacecraft systems is a rapidly evolving area in which multidisciplinary models are developed to design and analyze spacecraft configurations. These models are especially important in the early design stages where rapid trades between subsystems can substantially impact design decisions. Integrated modeling is one of the cornerstones of two of NASA's planned missions in the Origins Program -- the Next Generation Space Telescope (NGST) and the Space Interferometry Mission (SIM). Common modeling tools for control design and opto-mechanical analysis have recently emerged and are becoming increasingly widely used. A discipline that has been somewhat less integrated, but is nevertheless of critical concern for high precision optical instruments, is thermal analysis and design. A major factor contributing to this mild estrangement is that the modeling philosophies and objectives for structural and thermal systems typically do not coincide. Consequently the tools that are used in these discplines suffer a degree of incompatibility, each having developed along their own evolutionary path. Although standard thermal tools have worked relatively well in the past. integration with other disciplines requires revisiting modeling assumptions and solution methods. Over the past several years we have been developing a MATLAB based integrated modeling tool called IMOS (Integrated Modeling of Optical Systems) which integrates many aspects of structural, optical, control and dynamical analysis disciplines. Recent efforts have included developing a thermal modeling and analysis capability, which is the subject of this article. Currently, the IMOS thermal suite contains steady state and transient heat equation solvers, and the ability to set up the linear conduction network from an IMOS finite element model. The IMOS code generates linear conduction elements associated with plates and beams/rods of the thermal network directly from the finite element structural model. Conductances for temperature varying materials are accommodated. This capability both streamlines the process of developing the thermal model from the finite element model, and also makes the structural and thermal models compatible in the sense that each structural node is associated with a thermal node. This is particularly useful when the purpose of the analysis is to predict structural deformations due to thermal loads. The steady state solver uses a restricted step size Newton method, and the transient solver is an adaptive step size implicit method applicable to general differential algebraic systems. Temperature dependent conductances and capacitances are accommodated by the solvers. In addition to discussing the modeling and solution methods. applications where the thermal modeling is "in the loop" with sensitivity analysis, optimization and optical performance drawn from our experiences with the Space Interferometry Mission (SIM), and the Next Generation Space Telescope (NGST) are presented.

Milman, Mark H.↗
NASA NTRS2001

Efficiency of parallel direct optimization

Tremendous progress has been made at the level of sequential computation in phylogenetics. However, little attention has been paid to parallel computation. Parallel computing is particularly suited to phylogenetics because of the many ways large computational problems can be broken into parts that can be analyzed concurrently. In this paper, we investigate the scaling factors and efficiency of random addition and tree refinement strategies using the direct optimization software, POY, on a small (10 slave processors) and a large (256 slave processors) cluster of networked PCs running LINUX. These algorithms were tested on several data sets composed of DNA and morphology ranging from 40 to 500 taxa. Various algorithms in POY show fundamentally different properties within and between clusters. All algorithms are efficient on the small cluster for the 40-taxon data set. On the large cluster, multibuilding exhibits excellent parallel efficiency, whereas parallel building is inefficient. These results are independent of data set size. Branch swapping in parallel shows excellent speed-up for 16 slave processors on the large cluster. However, there is no appreciable speed-up for branch swapping with the further addition of slave processors (>16). This result is independent of data set size. Ratcheting in parallel is efficient with the addition of up to 32 processors in the large cluster. This result is independent of data set size. c2001 The Willi Hennig Society.

NASA Discipline Evolutionary Biology↗
DOE OSTI2025

Degradable Biocomposite Thermoplastic Polyurethanes

In this project, the team developed tough and degradable biocomposite thermoplastic polyurethanes (TPUs) by incorporating bacterial spores into TPUs as a biofunctional living filler. The team screened various bacteria and selected the Bacillus subtilis ATCC 6633 strain as the final candidate, primarily due to its genomic availability, sporulation ability and TPU assimilation activity. The heat-shock tolerance of ATCC 6633 spores was further improved through evolutionary engineering via Adaptive Laboratory Evolution (ALE), demonstrating a 17.7-fold enhanced germination efficiency post heat-shock treatment compared to the wild-type strain (WT). The team fabricated biocomposite TPUs by incorporating lyophilized powder of heat-shock tolerized (HST) spores during the hot melt extrusion (HME) of TPU at 135 °C. The baseline TPU used in this project is a commercially available soft-grade TPU (BCF45) manufactured by BASF. Colony forming unit (CFU) assays quantified that WT and HST spores in the TPU matrix retained approximately 20% and 100% survivability, respectively, after HME. Tensile testing demonstrated that the spores behaved as a polymer-reinforcing filler, positively affecting the overall tensile properties of the biocomposite TPU. For example, biocomposite TPU with WT and HST spores (BC TPU WT and BC TPU HST , respectively) exhibited up to 25% and 37% improved toughness, respectively, compared to TPU without spores. BC TPU HST showed remarkably improved disintegration in autoclaved compost (92% mass loss in 5 months), which simulated a microbially poor environment for TPU degradation. When compared to TPU without spores (44% mass loss in 5 months) the acceleration of degradation is marked. Respirometry confirmed that 72% of BC TPU HST was biomineralized into CO2 within 6 months, indicating that spores in the biocomposite TPU were germinated by utilizing nutrients in the autoclaved compost, facilitating TPU degradation at the end of the material's life. The team demonstrated the scale-up of biocomposite TPU fabrication using continuous extrusion and injection molding techniques. Processing conditions optimized in a lab-scale microcompounder were successfully transferred to a continuous extruder with a 30-fold increased throughput. Biocomposite TPUs prepared using these industry-relevant processes showed comparable toughness improvements to samples prepared in the lab-scale extruder. Excitingly, following compounding in the pilot-extruder the composite material could be injection molded, while retaining high spore viability and similar toughness improvements. The team also found that spores in biocomposite TPU served as antioxidants, preventing toughness decay during the recycled extrusion of BC TPU HST . Long-term storage tests over one year showed that the addition of spores had no negative effect on the longevity of the TPU. Furthermore, the team demonstrated the fabrication of spore-bearing biocomposite polymers with other polyesters such as PBAT, PLA, and PCL. We obtained promising preliminary data that showed overall toughness improvements for all polymers with spore addition. Finally, life cycle assessment (LCA) and techno-economic analysis (TEA) were carried out, which indicated minimal additional cost of fabrication. Overall, a tough and degradable biocomposite thermoplastic was successfully developed through this project, with all tasks completed successfully, achieving >100% of the objectives.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Learning efficient erasure protocols for an underdamped memory

Here we apply evolutionary reinforcement learning to a simulation model to identify efficient time-dependent erasure protocols for a physical realization of a 1-bit memory using an underdamped mechanical cantilever. We show that these protocols, when applied to the cantilever in the laboratory, are considerably more efficient than our best hand-designed protocols. The learned protocols allow reliable high-speed erasure by minimizing the heating of the memory during its operation. More generally, the combination of methods used here opens the door to the rational design of efficient protocols for various physics applications.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS2012

PheniX: A New Vision for the Hard X-ray Sky

We are proposing a mission devoted to high energy X-ray astronomy that is based on a focusing telescope operating in the 1-200 keV energy range but optimized for the hard X-ray range. The main scientific topics concern: Physics of compact objects: The proximity of compact objects provides a unique laboratory to study matter and radiation in extreme conditions of temperature and density in strong gravitational environment. The emission of high energy photons from these objects is far from being understood. The unprecedented sensitivity in the high energy domain will allow a precise determination of the non-thermal processes at work in the vicinity of compact objects. The full 1-200 keV energy coverage will be ideal to disentangle the emission processes produced in the spacetime regions most affected by strong-gravity, as well as the physical links: disk-thermal emission-iron line-comptonisation-reflection-non-thermal emission-jets. Neutron stars-magnetic field-cyclotron lines: Time resolved spectroscopy (and polarimetry) at ultra-high sensitivity of AXP, milliseconds pulsars and magnetars will give new tools to study the role of the synchrotron processes at work in these objects. Cyclotron lines-direct measurement of magnetic filed-equation of state constraints-short bursts-giant flares could all be studied with great details. AGN: The large sensitivity improvement will provide detailed spectral properties of the high energy emission of AGN's. This will give a fresh look to the connection between accretion and jet emission and will provide a new understanding of the physical processes at work. Detection of high-redshift active nuclei in this energy range will allow to introduce an evolutionary aspect to high-energy studies of AGN, probing directly the origin of the Cosmic X-ray Background also in the non-thermal range (> 20 keV). Element formation-Supernovae: The energy resolution achievable for this mission (<0.5 keV) and a large high energy effective area are ideally suited for the 44Ti line study (68 and 78 keV). This radioactive nuclei emission will give an estimate of their quantities and speed in their environment. In addition the study of the spatial structure and spectral emission of SNR will advance our knowledge of the dynamics of supernovae explosions, of particles acceleration mechanisms and how the elements are released in the interstellar medium. Instrumental design: The progress of X-ray focusing optics techniques allows a major step in the instrumental design: the collecting area becomes independent of the detection area. This drastically reduces the instrumental background and will open a new era. The optics will be based on depth-graded multi-layer mirrors in a Wolter I configuration. To obtain a significant effective area in the hundred of keV range a focal length in the 40-50 meters range (attainable with a deployable mast) is needed. In addition such a mission could benefit from recent progress made on mirror coating. We propose to cover the 1-200 keV energy range with a single detector, a double-sided Germanium strip detector operating at 80 K. The main features will be: (a) good energy resolution (.150 keV at 5 keV and <.5 keV at 100 keV), (b) 3 dimensional event localization with a low number of electronic chains, (c) background rejection by the 3D localization, (d) polarisation capabilities in the Compton regime.

PHENIX↗
DOE OSTI2024

Anomaly detection in PV systems using constrained low-rank and sparse decomposition

PV (photovoltaic) systems, also known as solar panel systems, play an essential role in the mitigation of greenhouse gas emissions and the promotion of renewable energy. Through the conversion of sunlight into usable energy, electricity is generated without emitting greenhouse gases and producing pollutants. Notwithstanding the evolutionary significance of PV systems, the occurrence of defects and anomalies in PV systems may result in diminished power output, consequently impeding the efficiency of the systems and potentially resulting in hazards in certain circumstances. Therefore, early detection of faults and anomalies in PV systems is imperative to guarantee the reliability, efficiency, and safety of the systems. In this article, we develop a signal decomposition for the purpose of anomaly detection in PV systems. The proposed methodology is grounded on the concept of low-rank and sparse decomposition, with consideration given to the signs of the decomposed low-rank and sparse components, as well as the smooth variations within and between periods in the mean signals. Through the implementation of Monte Carlo simulations, we showcase the efficacy of our proposed methodology in identifying anomalies of varying durations and magnitudes in PV systems. A case study is employed to validate the proposed methodology in detecting anomalies in real PV systems.

14 SOLAR ENERGY↗
NASA NTRS2003

Implied alignment: a synapomorphy-based multiple-sequence alignment method and its use in cladogram search

A method to align sequence data based on parsimonious synapomorphy schemes generated by direct optimization (DO; earlier termed optimization alignment) is proposed. DO directly diagnoses sequence data on cladograms without an intervening multiple-alignment step, thereby creating topology-specific, dynamic homology statements. Hence, no multiple-alignment is required to generate cladograms. Unlike general and globally optimal multiple-alignment procedures, the method described here, implied alignment (IA), takes these dynamic homologies and traces them back through a single cladogram, linking the unaligned sequence positions in the terminal taxa via DO transformation series. These "lines of correspondence" link ancestor-descendent states and, when displayed as linearly arrayed columns without hypothetical ancestors, are largely indistinguishable from standard multiple alignment. Since this method is based on synapomorphy, the treatment of certain classes of insertion-deletion (indel) events may be different from that of other alignment procedures. As with all alignment methods, results are dependent on parameter assumptions such as indel cost and transversion:transition ratios. Such an IA could be used as a basis for phylogenetic search, but this would be questionable since the homologies derived from the implied alignment depend on its natal cladogram and any variance, between DO and IA + Search, due to heuristic approach. The utility of this procedure in heuristic cladogram searches using DO and the improvement of heuristic cladogram cost calculations are discussed. c2003 The Willi Hennig Society. Published by Elsevier Science (USA). All rights reserved.

Non-NASA Center↗
NASA NTRSDate not supplied

Future Homes in Space: Development of Concepts for Exploration Space Habitats

NASA’s Artemis campaign seeks to return humans to the moon and establish a sustained presence on the lunar surface. This session will emphasize how habitation capabilities on the moon and in cislunar space can potentially contribute to the sustainability objectives of Artemis. Habitable elements represent opportunities to enable longer duration stays, increase the number of crew members present, enhance science and utilization activities, drive technology development for future Mars exploration, perform analog missions, and fuel economic opportunities for US industry. Panelists include Paul Kessler (NASA Marshall Space Flight Center, deputy lead for lunar surface habitation); Andrew Choate (NASA Marshall Space Flight Center, Mars habitation lead); Krystofer Dudzinski (NASA Marshall Space Flight Center, a space architect within the MSFC Advanced Concepts Office); and Larry Toups (retired from NASA Johnson Space Center, currently an adjunct professor at University of Houston in space architecture). The panel is moderated by Tracie Prater (NASA Marshall Space Flight Center, Habitation Systems Development Office). The panel will begin with an overview of the history of habitation concepts and an academic perspective on general considerations in space habitat design (Larry Toups). Paul Kessler and Andrew Choate will introduce NASA’s principle of “architecting from the right” to help define objectives for Artemis missions, needs/characteristics, use cases, and functions (as published in the agency’s Architecture Definition Document) and provide perspective on how this principle informs habitation concept development work. NASA panelists will discuss key engineering challenges identified for developing, deploying, and operating habitable assets on the lunar surface and/or in deep space. These may include dust mitigation, outfitting of inflatable softgoods (for concepts which may use softgoods as a primary structural material), survival in lunar darkness, human health and performance considerations, maintenance/repair/sparing, and autonomy. These identified challenges represent risks for habitation systems development and relate closely to capability gaps identified by the agency. While the work of NASA Marshall Space Flight Center’s habitation development office is primarily focused on habitats which are launched from earth pre-integrated (referred to as Class I in the framework previously developed by NASA space architects Kennedy/Cohen) or launched from earth and deployed at the point of use (Class II), there is also extensive work in NASA, academia, and companies on constructed habitats, which would be built on a planetary surface using indigenous resources (Class III habitats). Panelist Krystopher Dudzinski will discuss potential evolutionary pathways from Class I and Class II habitats to Class III habitats, unique and common architectural challenges within each habitat class, and key gaps in implementing Class III habitats from an architectural perspective. NASA panelists and the moderator will also provide an overview of partnership opportunities and avenues for further engagement to advance habitation systems for the SpaceCom audience. NASA is currently developing notional concepts for a lunar surface habitat and Mars transit habitat, which will be discussed during this panel session and used as examples. These concepts represent options for habitation system design and are a point of departure. They do not represent a final plan or formal recommendation on the part of the agency. Based on the most recent analysis cycle, NASA’s lunar surface habitat (SH) concept nominally supports two crew members for 30 days, with the capacity to support four crew during a surge period where crew will swap between the SH and another surface asset, such as a pressurized rover. This example design has a metallic airlock for ingress/egress and the upper portion is an inflatable material system which serves as the habitation module. The notional interior of the habitat is a three-deck layout/configuration which supports all crew mission functions, including exercise, stowage, extravehicular activity (EVA), sleep, hygiene waste collection, maintenance and repair, and meal preparation. Under analysis assumptions for habitation, the Mars Transit Habitat (TH) concept would support four crew on an up to 1,200 day Mars mission. One option for the concept is to initially dock Transit Habitat at Gateway, where it can be used to increase the duration of crew stays in cislunar space and perform shakedown and analog missions prior to a Mars departure. One challenge in longer duration missions which involve both surface exploration and transit is understanding crew adaptation when transitioning between partial gravity and microgravity environments. TH at Gateway offers an opportunity to study this transition and in doing so reduce risks associated with future Mars exploration. Like lunar SH, the most recent analysis cycle concept of a Mars TH is a hybrid structure design, with a metallic section supporting EVAs, axial/radial docking, and Safe Haven capabilities, and an inflatable softgoods structure for the primary habitation function. Interior layouts to optimize crew usability and livability are currently under trade. The panel will include presentation material, but also seeks to engage the audience in a highly interactive conversation regarding the potential role for habitation in future exploration initiatives. Potential topics for discussion include the influence of the crew experience on habitation systems design and livability/usability considerations, the benefits of space habitation development in terrestrial applications, and challenges and opportunities in “feeding forward” lunar surface habitation systems development to Mars exploration.

space habitats↗
DOE OSTI2025

An experimentally informed design process for future inertial confinement fusion facilities

The achievement of ignition in the laboratory has renewed interest in defining the requirements for a future high-gain inertial confinement fusion (ICF) facility. Our best chance of predicting future ICF performance is with 3-D radiation hydrodynamic simulations that have been benchmarked against experimental data, but their high computational cost is prohibitive for use in practical design studies. We introduce a hierarchical approach where 3-D simulations are tuned to match experimental measurements and used to train 3-D degradation models in 1-D simulations allowing for accurate predictions over the entire OMEGA direct-drive database. A genetic algorithm was used in combination with the trained 1-D simulations to search for optimal direct-drive implosion designs at driver energies ranging from 20 kJ to 10 MJ. As the fidelity of 3-D codes improves, this approach will provide a viable experimentally informed tool for defining the next ICF facility.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Computational evolution of high-performing unfused non-fullerene acceptors for organic solar cells

Materials optimization for organic solar cells (OSCs) is a highly active field, with many approaches using empirical experimental synthesis, computational brute force to screen a subset of chemical space, or generative machine learning methods that often require significant training sets. While these methods may find high-performing materials, they can be inefficient and time-consuming. Genetic algorithms (GAs) are an alternative approach, allowing for the “virtual synthesis” of molecules and a prediction of their “fitness” for some property, with new candidates suggested based on good characteristics of previously generated molecules. In this work, a GA is used to discover high-performing unfused non-fullerene acceptors (NFAs) based on an empirical prediction of power conversion efficiency (PCE) and provides design rules for future work. The electron-withdrawing/donating strength, as well as the sequence and symmetry, of those units are examined. The utilization of a GA over a brute-force approach resulted in speedups up to 1.8 × 10 12 . New types of units, not frequently seen in OSCs, are suggested, and in total 5426 NFAs are discovered with the GA. Of these, 1087 NFAs are predicted to have a PCE greater than 18%, which is roughly the current record efficiency. While the symmetry of the sequence showed no correlation with PCE, analysis of the sequence arrangement revealed that higher performance can be achieved with a donor core and acceptor end groups. Future NFA designs should consider this strategy as an alternative to the current A-D-A'-D-A architecture.

14 SOLAR ENERGY↗
NASA NTRSDate not supplied

High-Order Methods in NASA’s Next Generation of Computational Fluid Dynamics Tools

The missions of the National Aeronautics and Space Administration (NASA) routinely produce unique requirements and challenges for development and application of Computational Fluid Dynamics (CFD) methods. NASA presently embodies four distinct Mission Directorates: Aeronautics Research, Exploration Systems, Science, and Space Operations. These missions generate requirements for systems that operate in a wide variety of environments. They range from the high-speed flight of aerodynamically optimized vehicles operating in the earth’s atmosphere to spacecraft designed for missions that don’t favor aerodynamic optimization, some operating in the atmosphere of planets and planetary moons such as Mars and Venus or Saturn’s moon Titan. Systems supporting these vehicles, such as rocket and jet propulsion, reaction control systems, fluid and thermal transfer systems, etc. can also generate their own unique set of flow phenomena that challenge today’s CFD methodology. Through the NASA Engineering and Safety Center (NESC), NASA annually conducts state-of-the-discipline assessments in fifteen distinct engineering disciplines. These assessments are performed by the NASA Technical Fellows that lead Technical Discipline Teams (TDT) of recognized experts in these fifteen areas. In the Aerosciences discipline, three topics have been identified as the top challenges for the discipline: aero-plume interaction prediction, unsteady separated flows, and aerothermodynamic prediction. These challenge areas are defined by the Agency’s high-risk projects and problems on which the NESC is requested to perform independent testing, analysis, and assessments. When viewed as a whole, these tests, analyses, and assessments provide a clear view of the recurring technical challenges facing Agency engineers and researchers and can be used to guide future research and technology development. The present state-of-the-art in the application of CFD at NASA is the use of Reynolds-Averaged Navier- Stokes (RANS) solvers, primarily executed in a steady-state mode of operation. In isolated cases, Unsteady RANS (URANS) solvers have been employed when steady RANS solutions produce poorly converging or oscillating results or in cases, such as aeroelastic analysis, which require unsteady aerodynamic simulation. For most traditional external and internal aerodynamic flows, structured overset grids or unstructured grids are employed to minimize geometric modeling and grid generation times. Grid adaptation, primarily as a series of coarse-grain intermediate processing steps is also seeing use on particularly complex flow problems and configurations. In the case of aerothermodynamic flows, engineers have been forced to continue to employ structured grid techniques as the present unstructured grid methodology has proven inadequate in the prediction of surface heating. In the area of aero-plume interaction modeling, two-gas, frozen chemistry simulation is generally the state-of-the- art, with some production solvers capable of predicting flows with only a single gas component. Prediction of flows falling into the afore-mentioned top Aerosciences technical challenges have severely stressed the present state-of-the-art in CFD prediction and for some problems, such as unsteady separated flows and aero-plume interaction cases, engineers have begun employing Large Eddy Simulation (LES) and Hybrid RANS/LES techniques. In some isolated aero-propulsion interaction cases, chemically reacting flow simulations have been applied. These methods are highly evolutionary and engineers have little experience in their application, so they cannot be heavily relied upon in today’s application environment. Therefore, this leads one to muse over which numerical technologies will be included in the CFD tools that will be employed 30 years in the future. This presentation will describe specific technical problems that have stressed NASA’s traditional CFD methods to their breaking point and will link these issues to the Agency’s top Aerosciences technical challenges. The discussion will then shift to the characteristics of future CFD solvers that will be required to attack these challenges and how these characteristics differ from the present state-of-the- art. High-order methods certainly appear to have a place in the development of future CFD tools and some of the physical characteristics of our most challenging problems suggest that high-order methods are the only way to effectively solve them. But there are some relatively severe implementation issues that face these methods, particularly in the area of general applicability and robust operation as an engineering tool. Desired characteristics of next-generation CFD solvers will be discussed and the author’s view of which emerging numerical technologies might be employed to address these attributes will also be presented

David M Schuster↗