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At least 1,675 records · Page 93

Generative Models for Crystalline Materials

Understanding structure-property relationships in materials is fundamental in condensed matter physics and materials science. Over the past few years, machine learning (ML) has emerged as a powerful tool for advancing this understanding and accelerating materials discovery. Early ML approaches primarily focused on constructing and screening large material spaces to identify promising candidates for various applications. More recently, research efforts have increasingly shifted toward generating crystal structures using end-to-end generative models. This review analyzes the current state of generative modeling for crystal structure prediction and de novo generation. It examines crystal representations, outlines the generative models used to design crystal structures, and evaluates their respective strengths and limitations. Furthermore, the review highlights experimental considerations for evaluating generated structures and provides recommendations for suitable existing software tools. Emerging topics, such as modeling disorder and defects, integration in advanced characterization, incorporating synthetic feasibility constraints, and model explainability are explored. Ultimately, this work aims to inform both experimental scientists looking to adapt suitable ML models to their specific circumstances and ML specialists seeking to understand the unique challenges related to inverse materials design and discovery.

Metni, Houssam [Karlsruhe Inst. of Technology (KIT↗

The development of a noncryogenic nitrogen/oxygen supply technique

A development program was conducted in two phases to define the characteristics and requirements of an electrochemical oxygen/nitrogen supply technique for space station application. In Phase 1, electrode formulations and structures suitable for use as anodes in an oxygen/nitrogen generator were experimentally investigated. A one-man model oxygen/nitrogen generator integrated with a space cabin atmosphere simulator was fabricated and successfully tested in Phase 2. Data from these tests were used to update a computer routine model of the cabin atmosphere control using the oxygen/nitrogen generator technique. A specification and preliminary design for a 12-man oxygen/ nitrogen generation system was prepared.

Greenough, B. M.↗

Unified Approach to the Biomechanics of Dental Implantology

The human need for safe and effective dental implants is well-recognized. Although many implant designs have been tested and are in use today, a large number have resulted in clinical failure. These failures appear to be due to biomechanical effects, as well as biocompatibility and surgical factors. A unified approach is proposed using multidisciplinary systems technology, for the study of the biomechanical interactions between dental implants and host tissues. The approach progresses from biomechanical modeling and analysis, supported by experimental investigations, through implant design development, clinical verification, and education of the dental practitioner. The result of the biomechanical modeling, analysis, and experimental phases would be the development of scientific design criteria for implants. Implant designs meeting these criteria would be generated, fabricated, and tested in animals. After design acceptance, these implants would be tested in humans, using efficient and safe surgical and restorative procedures. Finally, educational media and instructional courses would be developed for training dental practitioners in the use of the resulting implants.

Grenoble, D. E.↗

Designing Test Chips for Custom Integrated Circuits

Collection of design and testing procedures partly automates development of built-in test chips for CMOS integrated circuits. Testchip methodology intended especially for users of custom integratedcircuit wafers. Test-Chip Designs and Testing Procedures (including datareduction procedures) generated automatically by computer from programed design and testing rules and from information supplied by user.

Buehler, M. G.↗

Calorimetry of 25 Ah lithium/thionyl chloride cells

Heat flow measurements of 25-Ah lithium thionyl chloride cells provided a method to calculate an effective thermal potential, E(TP) of 3.907 V. The calculation is useful to determine specific heat generation of this cell chemistry and design. The E(TP) value includes heat generation by electrochemical cell reactions, competitive chemical reactions, and resistance heating at the tabs, connectors, and leads. Heat flow was measured while applying electrical loads to the cell in an isothermal calorimeter set at 0, 20, and 60 C.

Johnson, C. J.↗

Optical Design of Telescopes and other Reflective Systems using SLIDERS

Optical design tools are presented to provide automatic generation of reflective optical systems for design studies and educational use. The tools are graphical in nature and use an interactive slider interface with freely available optical design software, OSLO EDU. Operation of the sliders provides input to adjust first-order and other system parameters (e.g. focal length), while appropriate system construction parameters are automatically updated to correct aberrations. Graphical output is also presented in real-time (e.g. a lens drawing) to provide the opportunity for a truly visual approach to optical design. Available systems include two- three- and four-mirror telescopes, relays, and afocal systems, either rotationally symmetric or having just a plane of symmetry. Demonstrations are presented, including a brief discussion of interfacing optical design software to MATLAB, and general research opportunities at NASA.

Howard, Joseph M.↗

Initial Results of Heuristic Guided Orbit Selection for a Low Frequency Radio Interferometric Spacecraft Constellation

A constellation of radio telescope spacecraft can leverage interferometry to accurately image distant objects throughout the universe, but mission design must balance among many interrelated constraints. In particular, the number of craft and the selection of time-varying orbital parameters play a pivotal role in determining what interferometric baselines are feasible with respect to different targets, and thus drives the breadth and quality of data available to the constellation. The large combinatorial orbit configuration space and competing concerns present a challenging problem that is not well addressed by traditional mission design processes. This paper describes application of automated optimization methods to help direct mission design effort to the most promising dynamic constellation geometries: those that achieve broad interferometric coverage but remain cost-effective and resilient to failures. Several automatic heuristic-driven optimization algorithms representing complementary search strategies were created to explore among concrete constellation configuration plans. Evaluation of each candidate constellation plan was accelerated by efficiently combining precomputed caches of orbital and interferometric data. Results indicate that leveraging automated optimization for constellation mission design is both practical and illuminating: generated solutions provided both evidence for existing design intuitions as well as fresh insights into novel configurations.

Hernandez, Sonia↗

Solar-power for Deep Space Science Missions

Solar power systems have enabled dazzling planetary science missions to much of the Solar System. This chapter outlines the types of solar array structures that have been used on U.S.-led robotic planetary science missions since the beginning of the space age, including several in development for future launch. The first solar-powered spacecraft employed body-mounted solar cells but designs quickly moved to extended panels to generate more electrical power. Early “paddle” designs were replaced by deployable twin rectangular “wings” which are still common in science missions and nearly ubiquitous in commercial telecommunications satellites. The increasing complexity of science missions investigating the nature of the space environment drove the development of the solar-powered satellites from the very beginning, and unique mission requirements to explore ever more distant and harsher regions of our solar system continue to drive innovations in spacecraft design, including solar arrays. This general progression to ever larger solar arrays to power ever more sophisticated spacecraft in ever harsher environments, punctuated by missions that emphasize lower cost and complexity, is a pattern that began in the 1960s and continues to this day. This chapter describes the solar array configurations used on deep space missions, with an emphasis on NASA’s planetary science missions, including specific design requirements that led to individual design selections. Future trends are also described.

Carolyn R Mercer↗

Design Development of a Stable, Lightweight, Tall and Self-Deploying Lunar Tower

Deployable composite booms with spaceflight heritage are being investigated at the National Aeronautics and Space Administration (NASA) Langley Research Center (LaRC) and the Massachusetts Institute of Technology (MIT) Space Resources Workshop for their potential to be vertically deployed in the lunar gravity field, in support of the NASA Artemis campaign. This paper reports new design development results—after the original presentation at the NASA 2020 BIG Idea Challenge—for a 16.5-meter-tall, compact, self-deploying composite tower intended to support the exploration of lunar permanently shadowed regions by nearby robotic assets or humans. Possible applications include vertical solar arrays and the provision of elevated lines-of-sight to science or engineering payloads, in support of nearby targets operating in areas of interest that may be hard to reach. Useful elevated payloads include radio repeaters, remote sensing and imaging, navigation and power beaming systems. However, while these lightweight rollable booms have an excellent height to mass ratio, they typically exhibit axial curvature upon deployment resulting in appreciable lateral dead-load deflection of the tip mass relative to the tower base. This static deflection increases with tower height and tip mass, not only constraining the value delivered by the tower but also endangering its integrity. To develop a competitive, lightweight deployable composite boom tower, a capability to correct static deflections during and after deployment will be required. In this paper, a deployable guy wire stability system will be presented for the MIT / LaRC self-erecting composite boom lunar tower that provides real time measurements, maintains tension both actively (during deployment) and passively (post-deployment), and can serve as a reconfigurable platform to test and trade alternative stability system configurations, such as with added spreaders inspired by sailing boat masts. Using a calibrated photogrammetry system, the natural lateral deflection of the boom tip relative to the boom base at different deployed heights was recorded for different configurations. With real-time force measurements it was found that tensioned guy wires can significantly reduce the static tip deflection of a deployable composite boom under dead load and can dampen a dynamic oscillation in under a minute. It was also found that control authority is greatest where it is needed most, i.e., for the lever arm closest to being opposite the direction of deflection. For a tower height of at least 11 m and spreader length of at least 60 cm, a solution of differential tension in all three arms exists and, in principle, provides sufficient control authority to correct or significantly reduce boom tip deflections. Notably, natural deflections occur almost entirely normal to the seams of the boom cross-section, but the natural boom tip lateral deflection under dead load upon deployment was approximately 5% of boom deployed length, exceeding the manufacturing acceptance specification of 1%. Ongoing and future work includes the further investigation towards mitigating manufacture-caused lateral deflection, trading of alternative guy wire system designs, as well as the design development of a second-generation tower incorporating a more capable boom design with the learnings from the proof-of-concept system presented here.

deployable composite boom↗

Physics model enhancements in MARLEY version 2

Large next-generation neutrino detectors, such as those designed for accelerator-based oscillation experiments, are expected to have impressive sensitivity to MeV astrophysical neutrinos generated by the Sun and by supernovae. There are also numerous related prospects to search for MeV-scale phenomena beyond the Standard Model. In contrast to detectors constructed with water and hydrocarbon targets, which will be primarily sensitive to electron antineutrinos via inverse beta decay, the upcoming Deep Underground Neutrino Experiment (DUNE) will provide unparalleled capabilities to measure low-energy electron neutrinos from cosmic sources. Interpreting such future measurements in DUNE will require a high-quality simulation of MeV interaction physics in the argon nucleus. The MARLEY (Model of Argon Reaction Low Energy Yields) neutrino event generator has been designed with the goal of delivering the needed simulation capabilities for DUNE and other argon-based neutrino detectors. In this poster, I will present recent improvements to MARLEY's suite of interaction models, which will be released for general use by the neutrino community in version 2 of the software.

Gardiner, Steven James [Fermilab] (ORCID:000000028↗

Physics model enhancements in MARLEY version 2

Large next-generation neutrino detectors, such as those designed for accelerator-based oscillation experiments, are expected to have impressive sensitivity to MeV astrophysical neutrinos generated by the Sun and by supernovae. There are also numerous related prospects to search for MeV-scale phenomena beyond the Standard Model. In contrast to detectors constructed with water and hydrocarbon targets, which will be primarily sensitive to electron antineutrinos via inverse beta decay, the upcoming Deep Underground Neutrino Experiment (DUNE) will provide unparalleled capabilities to measure low-energy electron neutrinos from cosmic sources. Interpreting such future measurements in DUNE will require a high-quality simulation of MeV interaction physics in the argon nucleus. The MARLEY (Model of Argon Reaction Low Energy Yields) neutrino event generator has been designed with the goal of delivering the needed simulation capabilities for DUNE and other argon-based neutrino detectors. In this talk, I will present recent improvements to MARLEY's physics models, which will be released for general use by the neutrino community in version 2 of the software.

Gardiner, Steven James [Fermilab] (ORCID:000000028↗

The design and fabrication of a Stirling engine heat exchanger module with an integral heat pipe

The conceptual design of a free-piston Stirling Space Engine (SSE) intended for space power applications has been generated. The engine was designed to produce 25 kW of electric power with heat supplied by a nuclear reactor. A novel heat exchanger module was designed to reduce the number of critical joints in the heat exchanger assembly while also incorporating a heat pipe as the link between the engine and the heat source. Two inexpensive verification tests are proposed. The SSE heat exchanger module is described and the operating conditions for the module are outlined. The design process of the heat exchanger modules, including the sodium heat pipe, is briefly described. Similarities between the proposed SSE heat exchanger modules and the LeRC test modules for two test engines are presented. The benefits and weaknesses of using a sodium heat pipe to transport heat to a Stirling engine are discussed. Similarly, the problems encountered when using a true heat pipe, as opposed to a more simple reflux boiler, are described. The instruments incorporated into the modules and the test program are also outlined.

Schreiber, Jeffrey G.↗

The design and fabrication of a Stirling engine heat exchanger module with an integral heat pipe

The conceptual design of a free-piston Stirling Space Engine (SSE) intended for space power applications has been generated. The engine was designed to produce 25 kW of electric power with heat supplied by a nuclear reactor. A novel heat exchanger module was designed to reduce the number of critical joints in the heat exchanger assembly while also incorporating a heat pipe as the link between the engine and the heat source. Two inexpensive verification tests are proposed. The SSE heat exchanger module is described and the operating conditions for the module are outlined. The design process of the heat exchanger modules, including the sodium heat pipe, is briefly described. Similarities between the proposed SSE heat exchanger modules and the LeRC test modules for two test engines are presented. The benefits and weaknesses of using a sodium heat pipe to transport heat to a Stirling engine are discussed. Similarly, the problems encountered when using a true heat pipe, as opposed to a more simple reflux boiler, are described. The instruments incorporated into the modules and the test program are also outlined.

Schreiber, Jeffrey G.↗

Mars aqueous chemistry experiment

Mars Aqueous Chemistry Experiment (MACE) is designed to conduct a variety of measurements on regolith samples, encompassing mineral phase analyses, chemical interactions with H2O, and physical properties determinations. From these data, much can be learned or inferred regarding the past weathering environment, the contemporaneous soil micro-environments, and the general chemical and physical state of the Martian regolith. By analyzing both soil and duricrust samples, the nature of the latter may become more apparent. Sites may be characterized for comparative purposes and criteria could be set for selection of high priority materials on future sample return missions. The second year of the MACE project has shown significant progress in two major areas. MACE Instrument concept definition is a baseline design that has been generated for the complete MACE instrument, including definition of analysis modes, mass estimates and thermal model. The design includes multiple reagent reservoirs, 10 discrete analysis cells, sample manipulation capability, and thermal control. The MACE Measurement subsystems development progress is reported regarding measurement capabilities for aqueous ion sensing, evolved gas sensing, solution conductivity measurement, reagent addition (titration) capabilities, and optical sensing of suspended particles.

Clark, Benton C.↗

Flight Control System Development for the BURRO Autonomous UAV

Developing autonomous flying vehicles has been a growing field in aeronautical research within the last decade and will continue into the next century. With concerns about safety, size, and cost of manned aircraft, several autonomous vehicle projects are currently being developed; uninhabited rotorcraft offer solutions to requirements for hover, vertical take-off and landing, as well as slung load transportation capabilities. The newness of the technology requires flight control engineers to question what design approaches, control law architectures, and performance criteria apply to control law development and handling quality evaluation. To help answer these questions, this paper documents the control law design process for Kaman Aerospace BURRO project. This paper will describe the approach taken to design control laws and develop math models which will be used to convert the manned K-MAX into the BURRO autonomous rotorcraft. With the ability of the K-MAX to lift its own weight (6000 lb) the load significantly affects the dynamics of the system; the paper addresses the additional design requirements for slung load autonomous flight. The approach taken in this design was to: 1) generate accurate math models of the K-MAX helicopter with and without slung loads, 2) select design specifications that would deliver good performance as well as satisfy mission criteria, and 3) develop and tune the control system architecture to meet the design specs and mission criteria. An accurate math model was desired for control system development. The Comprehensive Identification from Frequency Responses (CIFER(R)) software package was used to identify a linear math model for unloaded and loaded flight at hover, 50 kts, and 100 kts. The results of an eight degree-of-freedom CIFER(R)-identified linear model for the unloaded hover flight condition are presented herein, and the identification of the two-body slung-load configuration is in progress.

Colbourne, Jason D.↗

High-temperature Solar Cell Development

The vast majority of space probes to date have relied upon photovoltaic power generation. If future missions designed to probe environments close to the sun (Figure 1) will be able to use such power generation, solar cells that can function at high temperatures, under high light intensity, and high radiation conditions must be developed. The significant problem is that solar cells lose performance at high temperatures.

Landis, Geoffrey A.↗

Inverse design of two-dimensional materials with invertible neural networks

The ability to readily design novel materials with chosen functional properties on-demand represents a next frontier in materials discovery. However, thoroughly and efficiently sampling the entire design space in a computationally tractable manner remains a highly challenging task. To tackle this problem, we propose an inverse design framework (MatDesINNe) utilizing invertible neural networks which can map both forward and reverse processes between the design space and target property. This approach can be used to generate materials candidates for a designated property, thereby satisfying the highly sought-after goal of inverse design. We then apply this framework to the task of band gap engineering in two-dimensional materials, starting with MoS 2 . Within the design space encompassing six degrees of freedom in applied tensile, compressive and shear strain plus an external electric field, we show the framework can generate novel, high fidelity, and diverse candidates with near-chemical accuracy. We extend this generative capability further to provide insights regarding metal-insulator transition in MoS 2 which are important for memristive neuromorphic applications, among others. This approach is general and can be directly extended to other materials and their corresponding design spaces and target properties.

36 MATERIALS SCIENCE↗