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A special focus in this issue is Data acquisition and analysis. Topics covered include : Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Life Sciences; Mechanics; Machinery; Fabrication Technology; and Mathematics and Information Sciences. Also included in this issue are Laser Tech Briefs and Industry Focus: Motion Control/ Positioning Equipment
Topics include: a special section on data acquisition, software, electronic components and systems, materials, computer programs, mechanics, machinery/automation, manufacturing, biomedical, physical sciences, book and reports, and a special section of Photonics Tech Briefs.
The open-source Porous Microstructure Analysis (PuMA) software was implemented to offer an efficient framework for determining material characteristics from 3D microstructures. Its development was inspired by progress in X-ray microtomography, an imaging technology that captures the internal structure of materials in 3D, and even in a 4D temporal context. Over recent years, this method has transformed the domain of materials science due to its capability to non-destructively examine material microstructures while presenting digital data about their geometrical details. It has provided insights into materials relevant to several NASA missions, including heatshields, parachute fabrics, meteorites, and other advanced composites. PuMA, in its current version 3, delivers an array of features, spanning from basic geometric insights of a microstructure to intricate anisotropic thermo-elastic and chemical behavior. Specifically, the software evaluates morphological attributes (specific surface area, volume fractions, mean intercept lengths, orientation) and physical characteristics (conductivity, elasticity, permeability, and tortuosity). Additionally, it can model material degradation processes, such as oxidation and surface chemistry interactions. The software can generate synthetic microstructures, from straightforward geometrical designs to intricate woven and non-woven geometries. Coupling material generation and characterization enable parametric studies and sensitivity analysis to optimize the microstructural performance and inform design decisions and reliability assessment based on uncertainty quantification. A recent addition to PuMA includes the TomoSAM plugin, devised to incorporate the cutting-edge Segment Anything Model (SAM). SAM is a promptable deep learning model that can identify objects and create image masks in a zero-shot manner, based only on a few user clicks. The synergy between these tools aids in the segmentation of complex 3D datasets from tomography or other imaging techniques, which would otherwise require a laborious manual segmentation process.
The open-source Porous Microstructure Analysis (PuMA) software was created to offer an efficient framework for determining material properties from 3D microstructures. Its development was inspired by progress in X-ray microtomography, an imaging technology that captures the internal structure of materials in 3D, and even in a 4D temporal context. Over recent years, this method has transformed the domain of materials science due to its capability to non-destructively examine material microstructures while presenting digital data about their geometrical details. It has provided insights into materials relevant to several NASA missions, including heatshields, parachute fabrics, meteorites, and other advanced composites. PuMA, in its current version 3, delivers an array of features, spanning from basic geometric insights of a microstructure to intricate anisotropic thermo-elastic and chemical behavior. Specifically, the software evaluates morphological attributes (specific surface area, volume fractions, mean intercept lengths, orientation) and physical characteristics (conductivity, elasticity, permeability, and tortuosity). Additionally, it can model material degradation processes, such as oxidation and surface chemistry interactions. The software can generate synthetic microstructures, from straightforward geometrical designs to intricate woven and non-woven geometries. Coupling material generation and characterization enables parametric studies and sensitivity analysis to optimize the microstructural performance and inform design decisions and reliability assessment based on uncertainty quantification. A recent addition to PuMA includes the TomoSAM plugin, devised to incorporate the cutting-edge Segment Anything Model (SAM) into our image segmentation workflow. SAM is a promptable deep learning model that can identify objects and create image masks in a zero-shot manner, based only on a few user clicks. The synergy between these tools aids in the segmentation of complex 3D datasets from tomography and other imaging techniques, which would otherwise require a laborious manual segmentation process.
The Laboratory Directed Research and Development (LDRD) program yields foundational scientific research and development (R&D) essential to growing SRNL’s core competencies, in alignment with SRNL’s Strategic Plan to provide long-term benefits to the Department of Energy (DOE), the National Nuclear Security Administration (NNSA), and other customers and stakeholders. Five strategic goals are outlined in SRNL’s strategic plan: 1) Provide applied science and engineering for EM’s active clean-up sites and LM’s post closure management sites 2) Provide science-based solutions for gaps identified in nonproliferation strategic vision and support the government in activities impacting national security 3) Lead Science, Technology & Engineering as the central technical authority for processing tritium loaded reservoirs and support production of plutonium pits 4) Align science and energy security programs by focusing modern modeling, simulation, and data analytics tools on materials engineering and performance applications 5) Build a workforce for the future
The exploration of Mars will be a multi-decadal activity. Currently, a scientific program is underway, sponsored by NASA's Office of Space Science in the United States, in collaboration with international partners France, Italy, and the European Space Agency. Plans exist for the continuation of this robotic program through the first automated return of Martian samples in 2014. Mars is also a prime long-term objective for human exploration, and within NASA, efforts are being made to provide the best integration of the robotic program and future human exploration missions. From the perspective of human exploration missions, it is important to understand the scientific objectives of human missions, in order to design the appropriate systems, tools, and operational capabilities to maximize science on those missions. In addition, data from the robotic missions can provide critical environmental data - surface morphology, materials composition, evaluations of potential toxicity of surface materials, radiation, electrical and other physical properties of the Martian environment, and assessments of the probability that humans would encounter Martian life forms. Understanding of the data needs can lead to the definition of experiments that can be done in the near-term that will make the design of human missions more effective. This workshop was convened to begin a dialog between the scientific community that is central to the robotic exploration mission program and a set of experts in systems and technologies that are critical to human exploration missions. The charge to the workshop was to develop an understanding of the types of scientific exploration that would be best suited to the human exploration missions and the capabilities and limitations of human explorers in undertaking science on those missions.
NASA’s approach to computational materials modeling is detailed in the NASA Vision 2040 Roadmap for Multiscale Modeling and Simulation of Materials and Systems. This report is in the spirit of national initiatives such as the Material Genome Initiative (MGI), Integrated Computational Materials Engineering (ICME), and others. We utilize a combination of fundamental modeling, computational high-throughput screening, and data science methods, e.g., machine learning, are used to find innovative solutions to NASA or national technology challenges. Applications of interest are wide ranging from advanced alloys to batteries to coatings, among others. In this talk, we present three examples for recent work related to NASA applications. First, doping advanced sulfur battery cathodes with selenium boosts electrical conductivity important for electric aircraft applications. First principles calculations will be discussed that result in compositional design maps for these materials. Second, development of icephobic coatings is important to mitigate safety hazards associated with icing for aircraft. Molecular dynamics simulations are reported for ice-surface interfaces to understand adhesion mechanisms and help screen optimal ice-phobic coatings. Third, shape memory alloys have numerous applications as actuators, superelastic materials, etc. for aerospace. We report machine learning models that predict martensitic transition temperatures across a broad swath of compositional space.
Due to their high volumetric hydrogen storage capacity under moderate storage conditions, TiFe alloys have been widely investigated as candidates for practical solid-state hydrogen storage. Partially substituting Ti or Fe sites can improve the key characteristics of TiFe alloys, such as the first hydrogen absorption step (activation) and the equilibrium hydrogen pressure (thermodynamic properties). However, the selection of substitution elements has heavily relied on intuition and trial-and-error. Also, conventional substitution strategies have mainly focused on single-element substitution within the TiFe alloy, limiting the design space and tunability for target applications. Here, to address this limitation, we report a multi-element substitution strategy motivated by an efficient, data-driven machine learning (ML) approach combined with corroborating density functional theory (DFT) calculations. Our models successfully predict experimentally measured hydride stability in five selected alloys using only compositional descriptors. Most importantly, the multi-element substitution leads to enhanced activation properties compared to pure TiFe, achieving near room-temperature activation behaviour. This work provides a method for on-demand tuning of hydrogen storage and activation properties, which may have broad implications for data-driven discovery of energy storage materials.
Abstract Graph theory has a long history in chemistry. Yet as the breadth and variety of chemical data is rapidly changing, so too do graph encoding methods and analyses that yield qualitative and quantitative insights. Using illustrative cases within a basic mathematical framework, we showcase modern chemical graph theory's utility in Chemists' analysis and model development toolkit. The encoding of both experimental and simulation data is discussed at various levels of granularity of information. This is followed by a discussion of the two major classes of graph theoretical analyses: identifying connectivity patterns and partitioning methods. Measures, metrics, descriptors, and topological indices are then introduced with an emphasis upon enhancing interpretability and incorporation into physical models. Challenging data cases are described that include strategies for studying time dependence. Throughout, we incorporate recent advancements in computer science and applied mathematics that are propelling chemical graph theory into new domains of chemical study. This article is categorized under: Molecular and Statistical Mechanics > Molecular Dynamics and Monte‐Carlo Methods Structure and Mechanism > Computational Materials Science Structure and Mechanism > Molecular Structures
This document outlines a method for processing functional output (i.e., curves) for the ultimate purpose of sampling curves under specified input conditions for use in modeling and simulation uncertainty quantification (UQ) studies. A set of benchmark curves sufficiently representative of the relevant scenario(s) being simulated are provided to the process and formatted as described in Section 1. Principal Component Analysis (PCA) is utilized to discover the components of uncertainty in the benchmark curves and is outlined in Section 2. Section 3 describes the application of uncertainty quantification to the PCA results for the purpose of sampling curves to be used in UQ analysis. Section 4 applies these techniques to an example benchmark dataset. Concluding remarks are provided in the final section.
This paper presents an overview of the initial observations of the Long Duration Exposure Facility and, in particular, the degradation of the onboard materials. The LDEF was retrieved from space on January 12, 1990, during the Space Shuttle STS Mission 32 after having remained in space for almost 6 years. Ongoing studies of this retrieved hardware are providing a wealth of basic science data on the environments of near-earth space and the synergistic effects of these space environments on a large array of typical spacecraft materials and systems.
Abstract High‐temperature calorimetry (HTC) originated in the 20th century as a niche method to enable measurements not easily accomplished with acid solution calorimetry, combustion calorimetry, vapor pressure, or EMF methods. Over time, HTC has evolved into a versatile approach to accurately quantify formation, phase transition, surface and interfacial enthalpies of a wide range of materials including minerals and refractory inorganic compounds. This evolution has been the result of numerous adjustments to experimental setups and procedures, followed by rigorous testing. The commercial availability and the scientific success of this technique have led to an increase in the number of laboratories applying HTC. However, the knowledge acquired by researchers over the past 70 years is scattered throughout the literature or only available as laboratory internal documentation and personal experience. This publication is a collaborative effort among several leading HTC laboratories to summarize and unify current state‐of‐the‐art HTC techniques and procedures. The text starts by summarizing various HT techniques that are commonly used for readers with an interest in HTC in general. It is then directed toward HTC users and includes a brief section on data evaluation procedures as well as a comprehensive compilation of reference data utilizing molten sodium molybdate and lead borate solvents. Finally, for experienced HTC users, an in‐depth discussion of some common difficulties and a discussion of uncertainties are presented.
Single photon quantum materials discovery based on large dataset synthetic data generation.
Current NASA Microgravity Science and Applications Division Shuttle and terrestrial experiments to acquire basic data for space-based materials processing activities are summarized. The research is carried out to increase the understanding and to improve ground-based and space-based processing, to enhance the understanding of basic physical phenomena, and to characterize the forces which effect low-gravity processing. The main areas of research are crystal growth, metallic alloy solidification, bioseparation processes, blood rheology, containerless processing, and studies of combustion processes, chemical and transport phenomena, cloud microphysics and fluid behavior and surface phenomena in microgravity. Specific experiments, which exemplify the research goals and were performed on KC-135 flights along Keplerian trajectories and on Shuttle missions, are described.
The era of the International Space Station (ISS) has finally arrived, providing researchers on Earth a unique opportunity to study long-term effects of weightlessness and the space environment on structures, materials and living systems. Many of the physical, biological and material science experiments planned for ISS will require significant input and expertise from astronauts who must conduct the research, follow complicated assay procedures and collect data and samples in space. Containment is essential for Much of this work, both to protect astronauts from potentially harmful biological, chemical or material elements in the experiments as well as to protect the experiments from contamination by air-born particles In the Space Station environment. When astronauts must open the hardware containing such experiments, glovebox facilities provide the necessary barrier between astronaut and experiment. On Earth, astronauts are laced with the demanding task of preparing for the many glovebox experiments they will perform in space. Only a short time can be devoted to training for each experimental task and gl ovebox research only accounts for a small portion of overall training and mission objectives on any particular ISS mission. The quality of the research also must remain very high, requiring very detailed experience and knowledge of instrumentation, anatomy and specific scientific objectives for those who will conduct the research. This unique set of needs faced by NASA has stemmed the development of a new computer simulation tool, the Virtual Glovebox (VGB), which is designed to provide astronaut crews and support personnel with a means to quickly and accurately prepare and train for glovebox experiments in space.
There are two important aspects of the Moon and its materials which must be addressed in preparation for a manned return to the Moon and establishment of a lunar base. These involve its geologic science and resource utilization. Knowledge of the Moon forms the basis for interpretations of the planetary science of the terrestrial planets and their satellites; and there are numerous exciting explorations into the geologic science of the Moon to be conducted using orbiter and lander missions. In addition, the rocks and minerals and soils of the Moon will be the basic raw materials for a lunar outpost; and the In-Situ Resource Utilization (ISRU) of lunar materials must be considered in detail before any manned return to the Moon. Both of these fields -- planetary science and resource assessment -- will necessitate the collection of considerable amounts of new data, only obtainable from lunar-orbit remote sensing and robotic landers. For over fifteen years, there have been a considerable number of workshops, meetings, etc. with their subsequent 'white papers' which have detailed plans for a return to the Moon. The Lunar Observer mission, although grandiose, seems to have been too expensive for the austere budgets of the last several years. However, the tens of thousands of man-hours that have gone into 'brainstorming' and production of plans and reports have provided the precursor material for today's missions. It has been only since last year (1991) that realistic optimism for lunar orbiters and soft landers has come forth. Plans are for 1995 and 1996 'Early Robotic Missions' to the Moon, with the collection of data necessary for answering several of the major problems in lunar science, as well as for resource and site evaluation, in preparation for soft landers and a manned-presence on the Moon.
Workshop for middle and high school teachers to enhance their knowledge of the Earth as a system. NASA data and materials developed by teachers (all available via the Internet) will be used to engage participants in hands-on, investigative approaches to the Earth system. All materials are ready to be applied in pre-college classrooms. Remotely-sensed data will be used in combination with familiar resources, such as maps, to examine global climate change.
Topics include: special coverage sections on sensors and data acquisition and sections on electronic components and circuits, electronic software, materials, mechanics, bio-medical physical sciences, book and reports, and a special section of Photonics Tech Briefs.