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At least 73 records · Page 4

Computational scanning tunneling microscope image database

We introduce the systematic database of scanning tunneling microscope (STM) images obtained using density functional theory (DFT) for two-dimensional (2D) materials, calculated using the Tersoff-Hamann method. It currently contains data for 716 exfoliable 2D materials. Examples of the five possible Bravais lattice types for 2D materials and their Fourier-transforms are discussed. All the computational STM images generated in this work are made available on the JARVIS-STM website ( https://jarvis.nist.gov/jarvisstm ). We find excellent qualitative agreement between the computational and experimental STM images for selected materials. As a first example application of this database, we train a convolution neural network model to identify the Bravais lattice from the STM images. We believe the model can aid high-throughput experimental data analysis. These computational STM images can directly aid the identification of phases, analyzing defects and lattice-distortions in experimental STM images, as well as be incorporated in the autonomous experiment workflows.

47 OTHER INSTRUMENTATION↗

Effect of likelihood misspecification in Gaussian process-driven autonomous experimentation

In recent years, several groups have designed Autonomous Experiment (AE) models with the aim of using them as an alternative method for neutron scattering scanning. In an AE, Gaussian processes (GPs) are most frequently used due to their interpretability, their non-parametric nature, their universal approximation, and their closed-form predictive distribution. GPs have two key components, namely, the model for the likelihood of a neutron count knowing the underlying dynamic structure factor and the acquisition function. In this paper, we investigate the impact, on the quality of an AE, of the likelihood and acquisition function choices, in energy scans and (Q, ω) ones, with respect to the signal-over-noise ratio. While we hypothesized that the quality of GP predictions would decrease when the normal to Poisson likelihood approximation breaks down at low count rates, we found that the use of the correct Poisson likelihood does not improve the quality of the data collected, as well as yields very poor results in (Q, ω) scans at low count rates. In fact, the best results are obtained with a combination of normal likelihood, including the observation noise, and the change in variance acquisition function. In addition, we find that the performance, or quality of the predictive distribution, is a misleading measure of efficiency, that is, of the quality of the data collected.

Perryman, David Elliott [Inst. Laue-Langevin (ILL)↗

Bridging length scales in hard materials with ultra-small angle X-ray scattering – a critical review

Owing to their exceptional properties, hard materials such as advanced ceramics, metals and composites have enormous economic and societal value, with applications across numerous industries. Understanding their microstructural characteristics is crucial for enhancing their performance, materials development and unleashing their potential for future innovative applications. However, their microstructures are unambiguously hierarchical and typically span several length scales, from sub-ångstrom to micrometres, posing demanding challenges for their characterization, especially for in situ characterization which is critical to understanding the kinetic processes controlling microstructure formation. This review provides a comprehensive description of the rapidly developing technique of ultra-small angle X-ray scattering (USAXS), a nondestructive method for probing the nano-to-micrometre scale features of hard materials. USAXS and its complementary techniques, when developed for and applied to hard materials, offer valuable insights into their porosity, grain size, phase composition and inhomogeneities. We discuss the fundamental principles, instrumentation, advantages, challenges and global status of USAXS for hard materials. Using selected examples, we demonstrate the potential of this technique for unveiling the microstructural characteristics of hard materials and its relevance to advanced materials development and manufacturing process optimization. We also provide our perspective on the opportunities and challenges for the continued development of USAXS, including multimodal characterization, coherent scattering, time-resolved studies, machine learning and autonomous experiments. Our goal is to stimulate further implementation and exploration of USAXS techniques and inspire their broader adoption across various domains of hard materials science, thereby driving the field toward discoveries and further developments.

36 MATERIALS SCIENCE↗

Understanding the Impact of Data Staging for Coupled Scientific Workflows

We report the rate of data generated by cutting-edge experimental science facilities and large-scale simulations enabled by current high-performance computing (HPC) systems has continued to grow at a far greater pace than the development of the network and storage capabilities on which these systems rely. To cope with this challenge, scientist are moving toward the creation of autonomous experiments and HPC simulations using machine learning. However, efficiently moving, storing, and processing large amounts of data away from the point of origin presents an incredible challenge. In-memory computing, in situ analysis, data staging, and data streaming are recognized viable alternatives to traditional file-based methods for transferring data between coupled workflows. However, the performance trade-offs and limitations for these methods are not fully understood when used in HPC applications. This article presents a comprehensive performance assessment of the current solutions for data staging when applied to applications that are not necessary I/O intensive which makes them not ideal candidates for these methods. Our study is based on experiments running at scale on Oak Ridge National Laboratory's Summit supercomputer using applications and simulations that cover typical computational motifs and patterns. We investigated the usability and cost/benefit trade-offs of staging algorithms for HPC applications under different scenarios and highlight opportunities for optimizing the dataflow between coupled simulation workflows.

97 MATHEMATICS AND COMPUTING↗

gpCAM v6

gpCAM is tailored to be used by experimentalists who want to steer experiments autonomously. It is based on a Gaussian process (GP). Its strength compared to other software lies in its flexibility, which together with the right training, makes it more powerful than any GP-based software. However, that means, that the software in as-is mode cannot reach its full potential.

Noack, Marcus↗

Materials science

The first Spacelab space processing payload includes the following categories of hardware: (1) multiuser facilities, (2) common-support equipment, and (3) six autonomous experiments. All the hardware, with the exception of two elements (covering three experiments), will be integrated in a Spacelab double rack called the materials science double rack. The payload experimental facilities are intended to perform, during the first Spacelab mission, a number of significant pilot experiments in the fields of crystal growth, fluid physics and metallurgy, and, at the same time, to flight-verify the materials science hardware items developed (e.g., various furnaces, process chambers, etc.).

Huth, U.↗

Ultralight reactive metal foams produced as structural shapes in space: System design

This autonomous experiment for foaming metals in space involved: (1) payload support structure; (2) furnace and foaming apparatus; (3) electronic controls; (4) battery power; and (5) metallurgy. Emphasis was laid on a modular design which was easily modifiable and which offered maximum durability, safety, and failure tolerance.

Cocks, F. H.↗

Ten past and ten future GAS/MAUS-payloads

MAUS (materials science autonomous experiments) is one out of a series of flight opportunities which the Space Program of West Germany offers to scientists from the disciplines of materials research and processing for performing materials science investigations under microgravity conditions. Up to now, ten MAUS experiments were flown which were dealing with the following scientific topics: decomposition of binary alloys with miscibility gap in the liquid state, interaction of a solidification front with dispersed particles, critical Marangoni number, investigation of the magnetic compound MnBi, shrinkage of gas bubbles in glass melts and slip casting. The ten future experiments are partly reflights with modification of the scientific objectives as well as new experiments in the fields of chemical reactions, heat transfer, glass technology and Ostwald ripening. Looking to ten flown payloads, the peculiarities of instrument technology in GAS-cans and its evolution is discussed with emphasis on structure, electronics and thermal design. A typical modern payload using 100 percent of the resource is presented.

Staniek, S.↗

Future MAUS payload and the TWIN-MAUS configuration

The German MAUS project (materials science autonomous experiments in weightlessness) was initiated in 1979 for optimum utilization of NASA's Get Away Special (GAS) program. The standard MAUS system was developed to meet GAS requirements and can accommodate a wide variety of GAS-type experiments. The system offers a range of services to experimenters within the framework of standardized interfaces. Four MAUS payloads being prepared for future space shuttle flight opportunities are described. The experiments include critical Marangoni convection, oscillatory Marangoni convection, pool boiling, and gas bubbles in glass melts. Scientific objectives as well as equipment hardware are presented together with recent improvements to the MAUS standard system, e.g., a new experiment control and data management unit and a semiconductor memory. A promising means of increasing resources in the field of GAS experiments is the interconnection of GAS containers. This important feature has been studied to meet the challenge of future advanced payloads. In the TWIN-MAUS configuration, electrical power and data will be transferred between two containers mounted adjacent to each other.

Staniek, S.↗

RoMPS concept review automatic control of space robot, volume 2

Topics related to robot operated materials processing in space (RoMPS) are presented in view graph form and include: (1) system concept; (2) Hitchhiker Interface Requirements; (3) robot axis control concepts; (4) Autonomous Experiment Management System; (5) Zymate Robot Controller; (6) Southwest SC-4 Computer; (7) oven control housekeeping data; and (8) power distribution.

Dobbs, M. E.↗

STS-90 Day 13 Highlights

On this thirteenth day of the STS-90 mission, the flight crew, Cmdr. Richard A. Searfoss, Pilot Scott D. Altman, and Mission Specialists Richard M. Linnehan, Dafydd Rhys Williams and Kathryn P. Hire, and Payload Specialists Jay C. Buckey and James A. Pawelczyk once agian take part in a variety of human autonomic experiments designed to examine blood pressure regulation in microgravity. Crew members repeat an experiment in which they use an innovative technique called microneurography. This involves placing a very fine needle in a nerve just below the knee, allowing nerve signals traveling from the brain to the blood vessels to be measured directly while the cardiovascular system is challenged using the Lower Body Negative Pressure device. LBNP is a hi-tech canister that pulls bodily fluids into the lower extremities, simulating the effect of standing on Earth.

Source record↗

STS-90 Day 12 Highlights

On this twelth day of the STS-90 mission, the flight crew, Cmdr. Richard A. Searfoss, Pilot Scott D. Altman, and Mission Specialists Richard M. Linnehan, Dafydd Rhys Williams and Kathryn P. Hire, and Payload Specialists Jay C. Buckey and James A. Pawelczyk continue their investigations into how the human nervous system adapts to the weightlessness of space. Buckey and Pawelczyk take part in a variety of autonomic experiments designed to examine blood pressure regulation in microgravity. The test uses a special device resembling a hi-tech sack to place a stress on the cardiovascular system similar to that experienced when standing in Earth's gravity.

Source record↗

Concepts and Benefits of Lunar Core Drilling

Understanding lunar material at depth is critical to nearly every aspect of NASA s Vision and Strategic Plan. As we consider sending human s back to the Moon for brief and extended periods, we will need to utilize lunar materials in construction, for resource extraction, and for radiation shielding and protection. In each case, we will be working with materials at some depth beneath the surface. Understanding the properties of that material is critical, thus the need for Lunar core drilling capability. Of course, the science benefit from returning core samples and operating down-hole autonomous experiments is a key element of Lunar missions as defined by NASA s Exploration Systems Architecture Study. Lunar missions will be targeted to answer specific questions concerning lunar science and re-sources.

McNamara, K. M.↗

Co-leveraging Scientific Advances in Space Biology and Astrobiology Towards Achieving NASA’s Life Science Objectives

Executive Summary: Distinct lines of scientific inquiry drives the separation of NASA’s fundamental life science research into Space Biology and Astrobiology. This division developed as a way to place life scientists alongside experts in the physical constraints that define the acclimation, adaptation and evolution of biology systems relevant to their respective subjects. For astrobiology, integration with disciplines such as geology, geochemistry, astronomy, planetary science, etc., enables a comprehensive assessment of the physical environment and its co-evolution with biological processes. Space Biology’s co-location with Physical Sciences places life science researchers adjacent to experts in the physical phenomena associated with microgravity and spaceflight, enabling an understanding of how the spaceflight environment affects biological systems. Despite this separation, aspects of both disciplines have converged on a similar, fundamental objective: to describe and understand the dynamics of complex living communities in the contexts of their physical environments. While the environmental systems and timescales are dramatically different, continuing to motivate the separation into distinct fields, similarities in the underlying objective present opportunities to find efficiencies, reduce overlap, and minimize duplication of effort. Space Biology and Astrobiology share a common need to understand microbial physiology in extreme environments – whether the ‘built’ spaceflight environment or the natural environments in which many astrobiology studies are conducted. In particular, open questions in each discipline require the development of quantitative frameworks, applicable at the ecosystem level, that support predictive capabilities for environments where observations are sparse. Additionally, both disciplines have a need to prepare, detect, and analyze the (potential) biological signal in complex samples-often in a completely autonomous fashion. The next decade will see NASA Space Biology moving to understand and describe the effects of the beyond low-earth orbit (BLEO) spaceflight environment on living systems. This new direction will dramatically reduce the opportunities for ground-based analysis of space-flown samples, driving space biology investigations towards fully autonomous experiments and missions. At the same time, astrobiology life detection missions aimed at detecting biosignatures on Mars and icy moons in the outer solar system could benefit from fully automated sample processing and analysis. There are opportunities to leverage instrument and method development between both disciplines within the context of these BLEO missions.

Astrobiology↗

Preliminary Results of NASA's First Autonomous Formation Flying Experiment: Earth Observing-1 (EO-1)

NASA's first autonomous formation flying mission is completing a primary goal of demonstrating an advanced technology called enhanced formation flying. To enable this technology, the Guidance, Navigation, and Control center at the Goddard Space Flight Center has implemented an autonomous universal three-axis formation flying algorithm in executive flight code onboard the New Millennium Program's (NMP) Earth Observing-1 (EO-1) spacecraft. This paper describes the mathematical background of the autonomous formation flying algorithm and the onboard design and presents the preliminary validation results of this unique system. Results from functionality assessment and autonomous maneuver control are presented as comparisons between the onboard EO-1 operational autonomous control system called AutoCon(tm), its ground-based predecessor, and a stand-alone algorithm.

Folta, David↗

Results of NASA's First Autonomous Formation Flying Experiment: Earth Observing-1 (EO-1)

NASA's first autonomous formation flying mission completed its primary goal of demonstrating an advanced technology called enhanced formation flying. To enable this technology, the Guidance, Navigation, and Control center at the Goddard Space Flight Center (GSFC) implemented a universal 3-axis formation flying algorithm in an autonomous executive flight code onboard the New Millennium Program's (NMP) Earth Observing-1 (EO-1) spacecraft. This paper describes the mathematical background of the autonomous formation flying algorithm and the onboard flight design and presents the validation results of this unique system. Results from functionality assessment through fully autonomous maneuver control are presented as comparisons between the onboard EO-1 operational autonomous control system called AutoCon(tm), its ground-based predecessor, and a standalone algorithm.

Folta, David C.↗

Results of NASA's First Autonomous Formation Flying Experiment: Earth Observing-1 (EO-1)

NASA's first autonomous formation flying mission completed its primary goal of demonstrating an advanced technology called enhanced formation flying. To enable this technology, the Flight Dynamics Analysis Branch at the Goddard Space Flight Center implemented a universal 3-axis formation flying algorithm in an autonomous executive flight code onboard the New Millennium Program's (NMP) Earth Observing-1 (EO-1) spacecraft. This paper describes the mathematical background of the autonomous formation flying algorithm, the onboard flight design and the validation results of this unique system. Results from fully autonomous maneuver control are presented as comparisons between the onboard EO-1 operational autonomous control system called AutoCon, its ground-based predecessor used in operations, and the original standalone algorithm. Maneuvers discussed encompass reactionary, routine formation maintenance, and inclination control. Orbital data is also examined to verify that all formation flying requirements were met.

Folta, David↗

Results Of NASA's First Autonomous Formation Flying Experiment: Earth Observing-1 (EO-1)

NASA's first autonomous formation flying mission completed its primary goal of demonstrating an advanced technology called Enhanced Formation Flying. To enable this technology, a team at the Goddard Space Flight Center implemented a universal 3-axis formation flying algorithm in an autonomous executive flight code onboard the New Millennium Program's (NMP) Earth Observing-1 (EO-1) spacecraft. This paper describes the mathematical background of the autonomous formation flying algorithm, the onboard flight design and the validation results of this unique system. Results from fully autonomous maneuver control are presented as comparisons between the onboard EO-1 operational autonomous control system called AutoCon(trademark), its ground-based predecessor used in operations, and the original standalone algorithm. Maneuvers discussed encompass reactionary, routine formation maintenance, and inclination control. Orbital data is also examined to verify that all formation flying requirements were met.

Folta, David↗