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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Using Transom Jack in the Human Engineering Analysis of the Materials Science Research Rack-1 and Quench Module Insert

This paper describes the human engineering analysis performed on the Materials Science Research Rack-1 and Quench Module Insert (MSRR-1/QMI) using Transom Jack (Jack) software. The Jack software was used to model a virtual environment consisting of the MSRR-1/QMI hardware configuration and human figures representing the 95th percentile male and 5th percentile female. The purpose of the simulation was to assess the human interfaces in the design for their ability to meet the requirements of the Pressurized Payloads Interface Requirements Document - International Space Program, Revision C (SSP 57000). Jack was used in the evaluation because of its ability to correctly model anthropometric body measurements and the physical behavior of astronauts working in microgravity, which is referred to as the neutral body posture. The Jack model allows evaluation of crewmember interaction with hardware through task simulation including but not limited to collision avoidance behaviors, hand/eye coordination, reach path planning, and automatic grasping to part contours. Specifically, this virtual simulation depicts the human figures performing the QMI installation and check-out, sample cartridge insertion and removal, and gas bottle drawer removal. These tasks were evaluated in terms of adequate clearance in reach envelopes, adequate accessibility in work envelopes, appropriate line of sight in visual envelopes, and accommodation of full size range for male and female stature maneuverability. The results of the human engineering analysis virtual simulation indicate that most of the associated requirements of SSP 57000 were met. However, some hardware design considerations and crew procedures modifications are recommended to improve accessibility, provide an adequate work envelope, reduce awkward body posture, and eliminate permanent protrusions.

Dunn, Mariea C.↗
NASA NTRS1976

Annual review of materials science in space

The weightlessness of objects in free fall permits numerous novel manipulations of multiphase systems and suppresses buoyancy and convection in liquids and gases. In the present paper, the prospects for materials science in space are examined on the basis of the materials experiments performed on Skylab, including biological preparations and crystal growth. Plans for technology-oriented research on Spacelab are reviewed.

Bredt, J. H.↗
DOE OSTI2022

LANL Contributions to pyiron: An integrated development environment for computational materials science

To support and accelerate the development of simulation protocols in atomistic modelling, we introduce an integrated development environment (IDE) for computational materials science called pyiron (http://pyiron.org). The pyiron IDE combines a web based source code editor, a job management system for build automation, and a hierarchical data management solution. The core components of the pyiron IDE are pyiron objects based on an abstract class, which links application structures such as atomistic structures, projects, jobs, simulation protocols and computing resources with persistent storage and an interactive user environment. The simulation protocols within the pyiron IDE are constructed using the Python programming language. To highlight key concepts of this tool as well as to demonstrate its ability to simplify the implementation and testing of simulation protocols we discuss two applications. In these examples we show how pyiron supports the whole life cycle of a typical simulation, seamlessly combines ab initio with empirical potential calculations, and how complex feedback loops can be implemented. While originally developed with focus on ab initio thermodynamics simulations, the concepts and implementation of pyiron are general thus allowing to employ it for a wide range of simulation topics.

Janssen, Jan↗
NASA NTRS1988

Development of experimental systems for material sciences under microgravity

As part of the Space Experiment Program of the Society of Japanese Aerospace Companies, three experimental systems (G452, G453, G454) have been developed for materials science studies under microgravity by the NEC Corporation. These systems are to be flown as Get Away Special payloads for studying the feasibility of producing new materials. Together with the experimental modules carrying the hardware specific to the experiment, the three systems all comprise standard subsystems consisting of a power supply, sequence controller, temperature controller, data recorder, and video recorder.

Tanii, Jun↗
DOE OSTI2020

From smart homes to smart laboratories: connected instruments for materials science

The current focus on artificial intelligence and machine learning in the scientific community has the potential to greatly speed up discovery. In this article, we explore what a “smart facility” would mean for materials science. We propose to capture meta-data at every step of an experiment, including materials synthesis, sample production and characterization, simulation, and the analysis software used to extract information. Although most of this information is captured in various institutional systems and staff logbooks, more insight could be obtained by connecting this information through a system that allows automation. AI-enabled processes built on such a system would have the potential of making experiment planning easier and minimize the time between experiment and publication.

Doucet, Mathieu↗
NASA NTRS2002

Uses of Computed Tomography in the NASA Materials Science Program

Computed Tomography (CT) has proved to be of inestimable use in providing a rapid evaluation of a variety of samples from Mechanics of Granular Materials (MGM) to electronic materials (Ge-Si alloys) to space grown materials such as meteorites. The system at Kennedy Space Center (KSC), because of its convenient geographical location, is ideal for examining samples immediately after returning to Earth. It also has the advantage of the choice of fluxes, and in particular the use of a radioactive cobalt source, which is basically monochromatic. This permits a reasonable measurement of density to be made from which chemical composition can be determined. Due to the current dearth of long duration space grown materials, the CT instrument has been used to characterize materials in preparation for flight, to determine thermal expansion values, and to examine long duration space grown materials, i.e. meteorites. The work will first describe the establishment of the protocol for obtaining the optimum density readings for any material. This will include both the effects of the hardware or instrumental parameters that can be controlled, and the techniques used to process the CT data. Examples will be given of the compositional variation along single crystals of germanium-silicon alloys. Density variation with temperature has been measured in preparation for future materials science experiments; this involved the fabrication and installation of a single zone furnace incorporating a heat pipe to ensure of high temperature uniformity. At the time of writing the thermal expansion of lead has been measured from room temperature to 900 C. Three methods are available. Digital radiography enable length changes to be determined. Prior to melting the sample is small than the container and the diameter change can be measured. Most critical, however, is the density change in solid, through the melting region, and in the liquid state. These data are needed for engineering purposes to aid in the design of containment cartridges, and for enabling fluid flow calculations. A second sample, with the lead alloyed with antimony is ready for scanning. This corresponds to the planned composition of Dr. Poirier's flight experiment. Finally, three-dimensional results will be shown of the structure of a two-phase metallic meteorite of metal and sulfide, in which the iron-nickel phase has coarsened during slow cooling over hundreds of millions of years.

Engel, H. Peter↗
NASA NTRS1989

Ground-based simulation of telepresence for materials science experiments

A series of ground-based telepresence experiments have been performed to determine the minimum video frame rate and resolution required for the successive performance of materials science experiments in space. The approach used is to simulate transmission between earth and space station with transmission between laboratories on earth. The experiments include isothermal dendrite growth, physical vapor transport, and glass melting. Modifications of existing apparatus, software developed, and the establishment of an inhouse network are reviewed.

Johnston, James C.↗
NASA NTRS1992

Applications of the Analytical Electron Microscope to Materials Science

In the last 20 years, the analytical electron microscope (AEM) as allowed investigators to obtain chemical and structural information from less than 50 nanometer diameter regions in thin samples of materials and to explore problems where reactions occur at boundaries and interfaces or within small particles or phases in bulk samples. Examples of the application of the AEM to materials science problems are presented in this paper and demonstrate the usefulness and the future potential of this instrument.

Goldstein, J. I.↗
NASA NTRS1985

Compact acoustic levitation device for studies in fluid dynamics and material science in the laboratory and microgravity

An ultrasonic levitation device operable in both ordinary ground-based as well as in potential space-borne laboratories is described together with its various applications in the fields of fluid dynamics, material science, and light scattering. Some of the phenomena which can be studied by this instrument include surface waves on freely suspended liquids, the variations of the surface tension with temperature and contamination, the deep undercooling of materials with the temperature variations of their density and viscosity, and finally some of the optical diffraction properties of transparent substances.

Trinh, E. H.↗
DOE OSTI2024

Self-Driving Laboratories for Chemistry and Materials Science

Self-driving laboratories (SDLs) promise an accelerated application of the scientific method. Through the automation of experimental workflows, along with autonomous experimental planning, SDLs hold the potential to greatly accelerate research in chemistry and materials discovery. This review provides an in-depth analysis of the state-of-the-art in SDL technology, its applications across various scientific disciplines, and the potential implications for research and industry. This review additionally provides an overview of the enabling technologies for SDLs, including their hardware, software, and integration with laboratory infrastructure. Most importantly, this review explores the diverse range of scientific domains where SDLs have made significant contributions, from drug discovery and materials science to genomics and chemistry. We provide a comprehensive review of existing real-world examples of SDLs, their different levels of automation, and the challenges and limitations associated with each domain.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Enabling Modular Autonomous Feedback‐Loops in Materials Science through Hierarchical Experimental Laboratory Automation and Orchestration

Abstract Materials acceleration platforms (MAPs) operate on the paradigm of integrating combinatorial synthesis, high‐throughput characterization, automatic analysis, and machine learning. Within a MAP, one or multiple autonomous feedback loops may aim to optimize materials for certain functional properties or to generate new insights. The scope of a given experiment campaign is defined by the range of experiment and analysis actions that are integrated into the experiment framework. Herein, the authors present a method for integrating many actions within a hierarchical experimental laboratory automation and orchestration (HELAO) framework. They demonstrate the capability of orchestrating distributed research instruments that can incorporate data from experiments, simulations, and databases. HELAO interfaces laboratory hardware and software distributed across several computers and operating systems for executing experiments, data analysis, provenance tracking, and autonomous planning. Parallelization is an effective approach for accelerating knowledge generation provided that multiple instruments can be effectively coordinated, which the authors demonstrate with parallel electrochemistry experiments orchestrated by HELAO. Efficient implementation of autonomous research strategies requires device sharing, asynchronous multithreading, and full integration of data management in experimental orchestration, which to the best of the authors’ knowledge, is demonstrated for the first time herein.

36 MATERIALS SCIENCE↗
NASA NTRS1973

Materials sciences research

Research projects involving materials research conducted by various international test facilities are reported. Much of the materials research is classified in the following areas: (1) acousto-optic, acousto-electric, and ultrasonic research, (2) research for elucidating transport phenomena in well characterized oxides, (3) research in semiconductor materials and semiconductor devices, (4) the study of interfaces and interfacial phenomena, and (5) materials research relevant to natural resources. Descriptions of the individual research programs are listed alphabetically by the name of the author and show all personnel involved, resulting publications, and associated meeting speeches.

Source record↗
DOE OSTI2020

Replicating Machine Learning Experiments in Materials Science

Transparency and reproducibility are important aspects of validation for Machine Learning (ML) models that are not fully understood and applies independently of the application domain.We offer a case study of reproducibility that highlights the challenges encountered when attempting to reproduce analyzes obtained with Machine Learning methods in materials informatics. Our study explores prediction results obtained with ML models and issues in training data serving as input. We discuss challenges related to theory-driven and numerical errors in training data, lack of reproducibility across platforms and versions, and effects of randomness when varying hyperparameters. In addition to model accuracy, a main metric of interest in the ML community, our results show that model sensitivity may be equally important for applying ML in domain applications such a materials science.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1975

The Concept Verification Testing of a materials science payload

The Concept Verification Testing (CVT) project at the Marshall Space Flight Center, Alabama is a developmental activity that supports Shuttle Payload projects such as Spacelab. It provides an operational one-g environment for testing NASA and other agency experiment and support systems concepts that may be used in Shuttle. A dedicated Materials Science Payload was tested in the General Purpose Laboratory (GPL) in December 1974 in order to assess the requirements of a Space Processing payload on a Spacelab type facility. Physical and functional integration of the experiments into the facility was studied, and the impact of the experiments on the facility (and vice versa) was evaluated. The Principal Investigators (PI) who had proposed experiments were onboard and in a consulting status on the ground. The significant results of the week-long simulation will be discussed.

Griner, C. S.↗
DOE OSTI2022

Coupled Cluster Downfolding Theory: towards universal many-body algorithms for dimensionality reduction of composite quantum systems in chemistry and materials science

Abstract The recently introduced coupled cluster (CC) downfolding techniques for reducing the dimensionality of quantum many-body problems recast the CC formalism in the form of the renormalization procedure allowing, for the construction of effective (or downfolded) Hamiltonians in small-dimensionality sub-space, usually identified with the so-called active space, of the entire Hilbert space. The resulting downfolded Hamiltonians integrate out the external (out-of-active-space) Fermionic degrees of freedom from the internal (in-the-active-space) parameters of the wave function, which can be determined as components of the eigenvectors of the downfolded Hamiltonians in the active space. This paper will discuss the extension of non-Hermitian (associated with standard CC formulations) and Hermitian (associated with the unitary CC approaches) downfolding formulations to composite quantum systems commonly encountered in materials science and chemistry. The non-Hermitian formulation can provide a platform for developing local CC approaches, while the Hermitian one can serve as an ideal foundation for developing various quantum computing applications based on the limited quantum resources. We also discuss the algorithm for extracting the semi-analytical form of the inter-electron interactions in the active spaces.

Bauman, Nicholas P.↗
NASA NTRS2015

Packaging Technologies for 500 C SiC Electronics and Sensors: Challenges in Material Science and Technology

This paper presents ceramic substrates and thick-film metallization based packaging technologies in development for 500C silicon carbide (SiC) electronics and sensors. Prototype high temperature ceramic chip-level packages and printed circuit boards (PCBs) based on ceramic substrates of aluminum oxide (Al2O3) and aluminum nitride (AlN) have been designed and fabricated. These ceramic substrate-based chip-level packages with gold (Au) thick-film metallization have been electrically characterized at temperatures up to 550C. The 96 alumina packaging system composed of chip-level packages and PCBs has been successfully tested with high temperature SiC discrete transistor devices at 500C for over 10,000 hours. In addition to tests in a laboratory environment, a SiC junction field-effect-transistor (JFET) with a packaging system composed of a 96 alumina chip-level package and an alumina printed circuit board was tested on low earth orbit for eighteen months via a NASA International Space Station experiment. In addition to packaging systems for electronics, a spark-plug type sensor package based on this high temperature interconnection system for high temperature SiC capacitive pressure sensors was also developed and tested. In order to further significantly improve the performance of packaging system for higher packaging density, higher operation frequency, power rating, and even higher temperatures, some fundamental material challenges must be addressed. This presentation will discuss previous development and some of the challenges in material science (technology) to improve high temperature dielectrics for packaging applications.

dielectric properties↗