Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “material science”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 649 records · Page 36

From Data to Discovery: AI's Transformative Role in Thin Film Research

The advancement of thin film technologies is pivotal for progress in numerous fields, including energy, electronics, and quantum computing. However, the traditional trial-and-error approach to materials discovery is inherently slow and inefficient. This presentation will showcase how artificial intelligence (AI) is transforming thin film research by enabling a data-driven paradigm shift. We will highlight our past successes in applying AI to understand radiation damage in thin film oxides, demonstrating how graph analytics can unravel complex material behavior. Additionally, we will provide insights into our current work at the National Renewable Energy Laboratory, where we are leading the charge in autonomous materials science. Backed by a $14M investment in our characterization facility, we are developing AI-guided workflows that seamlessly integrate experimentation and AI-guided decision-making. By harnessing the power of AI, we aim to accelerate the discovery and design of high-performance thin films, propelling innovation across a multitude of industries.

36 MATERIALS SCIENCE↗

SMATool: Strength of materials analysis toolkit

The study of the strength of materials is a cornerstone in material science and engineering, playing a critical role in shaping the progress and application of materials in diverse industrial sectors. The strength of a material is meticulously examined to understand the behavior of the material under different stress conditions and environments, thereby guiding material selection and structural design. Herein, we introduce the SMATool, a computational toolkit for the efficient calculation and analysis of material strength at both zero and finite temperatures for 3D, 2D, 1D, and tubular 2D-based nanostructures and nanotubes, as well as 1D nanoribbons. The toolkit is capable of calculating tensile, shear, ultimate, yield, and indentation (Vickers' hardness) strengths in various dimensions, as well as the energy storage capacity. We conducted several calculations both at zero and finite temperatures to validate the accuracy and reliability of the developed software. Here, the results show that the SMATool package provides accurate predictions that align with existing data on material strength. SMATool integrates seamlessly with widely used electronic structure codes like VASP and Quantum Espresso, providing a user-friendly interface catering to academic researchers and industry professionals.

36 MATERIALS SCIENCE↗

Cobalt-free, high-nickel layered oxide cathodes for lithium-ion batteries: Progress, challenges, and perspectives

High-nickel layered oxides are enabling extraordinary growth of electric vehicles market due to its high energy density. Nonetheless, leading battery manufacturers are trying to cut down the manufacturing costs further by eliminating the dependency on cobalt in cathode materials. In this perspective, we explore several aspects that need to be considered to develop cobalt-free high-Ni layered oxides by reviewing the fundamental properties of LiNiO2. Furthermore, critical key factors for exploring alternative dopants and substituents are discussed for designing stable and inexpensive Co-free high-Ni layered oxides from a viewpoint of materials science and electrochemistry. Lastly, a perspective on the future research direction on Co-free high-Ni layered oxides are highlighted with respect to practical considerations.

25 ENERGY STORAGE↗

Convoluted filtering for process cycle modeling

Principles of materials science and engineering, physics, mathematics, and information science are used to extract knowledge and insights from the process-structure–property-performance relationships hidden in materials data. The process-structure modeling can be accelerated without loss of interpretability, with artificial intelligence tools that mimic the salient features of the process and process-structure relations. In this work, a novel convoluted model-filtering technique was exploited to build and successfully train the Convoluted Filter (CoFi) artifacts for Fe-based alloy heat treatment cycles. The artifacts were pre-trained to filter out deep models that change the surrogate microstructure state after the heat treatment at ambient conditions. Direct representation of the thermal cycle features within knowledge Graph facilitated development of meaningful data models for microstructure evolution, which reduce overfitting to limited datasets.

36 MATERIALS SCIENCE↗

Advanced Electron Microscopy of Nanophased Synthetic Polymers and Soft Complexes for Energy and Medicine Applications

After decades of developments, electron microscopy has become a powerful and irreplaceable tool in understanding the ionic, electrical, mechanical, chemical, and other functional performances of next-generation polymers and soft complexes. The recent progress in electron microscopy of nanostructured polymers and soft assemblies is important for applications in many different fields, including, but not limited to, mesoporous and nanoporous materials, absorbents, membranes, solid electrolytes, battery electrodes, ion- and electron-transporting materials, organic semiconductors, soft robotics, optoelectronic devices, biomass, soft magnetic materials, and pharmaceutical drug design. For synthetic polymers and soft complexes, there are four main characteristics that differentiate them from their inorganic or biomacromolecular counterparts in electron microscopy studies: (1) lower contrast, (2) abundance of light elements, (3) polydispersity or nanomorphological variations, and (4) large changes induced by electron beams. Since 2011, the Center for Nanophase Materials Sciences (CNMS) at Oak Ridge National Laboratory has been working with numerous facility users on nanostructured polymer composites, block copolymers, polymer brushes, conjugated molecules, organic–inorganic hybrid nanomaterials, organic–inorganic interfaces, organic crystals, and other soft complexes. This review crystalizes some of the essential challenges, successes, failures, and techniques during the process in the past ten years. It also presents some outlooks and future expectations on the basis of these works at the intersection of electron microscopy, soft matter, and artificial intelligence. Machine learning is expected to automate and facilitate image processing and information extraction of polymer and soft hybrid nanostructures in aspects such as dose-controlled imaging and structure analysis.

36 MATERIALS SCIENCE↗

Self–Healing and Stretchable Molecular Ferroelectrics with High Expandability

The interplay between crystal ordering and stretchability is frequently encountered in contemporary materials science, particularly in the case of ferroelectrics. The inherent dilemma arises when these materials need to withstand repetitive mechanical deformations or stretching without sacrificing their crystal integrity, all while retaining their remarkable ferroelectric properties and even exhibiting self-healing capabilities. This complexity further presents a significant challenge in the design and engineering of mechanically rigid molecular ferroelectric crystals, particularly for applications where both precise crystalline structure and mechanical adaptability are crucial. In this study, the humidity-controlled expansion and contraction, dissolution, and recrystallization of a self-assembled molecular ferroelectric-in-hydrogel framework are reported. Self-healing ferroelectric-in-hydrogel networks exhibit a recyclable humidity-tailored ionic conductivity from 2.86 × 10 –6 to 1.36 × 10 –5 S cm –1 , facilitating the stretchable piezoelectric sensing. Additionally, the dynamic bond reforming interactions are observed, leading to the tailoring of Young's modulus from 452 to 170 MPa, maintaining ferroelectricity under a strain of 20% with a piezoelectric coefficient of 15.7 pC N –1 . Upon lattice contraction, the molecular contacts undergo reforming, leading to the restoration of stretchable ferroelectrics/piezoelectrics and paving the way for stretchable bioelectronics for full-body motion monitoring. The capabilities highlighted here open avenues for stretchable and self-healing ferroelectric-in-hydrogel bioelectronic technologies.

36 MATERIALS SCIENCE↗

Thermally Stable Single-Atom Heterogeneous Catalysts

Single-atom catalysts (SACs) have attracted extensive attention in fields related to energy, environment, and material sciences because of the high atom efficiency and the unique properties of these materials. Many approaches have hitherto been successfully established to prepare SACs, including impregnation, pyrolysis-involved processes, atom trapping, and coprecipitation. However, under typical reaction conditions, single atoms on catalysts tend to migrate or agglomerate, forming nanoclusters or nanoparticles, which lowers their surface free energy. Efforts are required to develop strategies for improving the thermal stability of SACs while achieving excellent catalytic performance. Here in this Progress Report, recent advances in the development of thermally durable single-atom heterogeneous catalysts are discussed. Several important preparation approaches for thermally stable SACs are described in this article. Fundamental understanding of the coordination structures of thermally stable single atom prepared by these methods is discussed. Furthermore, the catalytic performances of these thermally stable SACs are reviewed, including their activity and stability. Finally, a perspective of this important and rapidly evolving research field is provided.

coordination structure↗

Deep learning the properties of inorganic perovskites

We report the ability to accurately and quickly predict the stability of materials and their structural and electronic properties remains a grand challenge in materials science. Density functional theory is widely used as a means of predicting these material properties, but is known to be computationally expensive and scales as the cube of the number of electrons in the material’s unit cell. In this article, for a previously published dataset of inorganic perovskites, we show that a single neural network model using only the elemental properties of the compounds’ constituents can predict lattice constants to within 0.1 Å, heat of formation to within 0.2 eV, and band gaps to within 0.7 eV RMSE. We also compare the performance of the trained network to two widely used regression techniques, namely random forest and Kernel ridge regression, and find that the neural network’s predictions are more accurate for each of the properties. The simultaneous accurate prediction of multiple key properties of technologically relevant materials is promising for rational design and optimization in known and novel chemical spaces.

36 MATERIALS SCIENCE↗

Finding the perfect imperfection: Accelerated, computationally driven discovery and design of quantum defects

Optically addressable spin defects have emerged as the leading platforms for quantum sensing and communication in solid-state systems. While traditional efforts have concentrated on a focused set of well-studied defects, recent advances in high-throughput computational methods have shown promise for large-scale exploration of defects across diverse semiconductor hosts. By cataloging key properties of quantum defects in computational databases, high-throughput screening techniques can systematically suggest and design novel candidates. In this article, we highlight recent advances in data-driven quantum defect design aimed at addressing critical materials science challenges such as host materials selection, defect stability, and desirable electronic and optical properties. Here, we emphasize the importance of electronic-structure-guided searches across various materials and illustrate how high-throughput computations contribute to our understanding of design principles for quantum defects. Additionally, we outline ongoing challenges and emerging opportunities in this rapidly developing field.

Xiong, Yihuang [Dartmouth College, Hanover, NH (Un↗

Concept Verification Test - Evaluation of Spacelab/Payload operation concepts

The Concept Verification Test (CVT) procedure is used to study Spacelab operational concepts by conducting mission simulations in a General Purpose Laboratory (GPL) which represents a possible design of Spacelab. In conjunction with the laboratory a Mission Development Simulator, a Data Management System Simulator, a Spacelab Simulator, and Shuttle Interface Simulator have been designed. (The Spacelab Simulator is more functionally and physically representative of the Spacelab than the GPL.) Four simulations of Spacelab mission experimentation were performed, two involving several scientific disciplines, one involving life sciences, and the last involving material sciences. The purpose of the CVT project is to support the pre-design and development of payload carriers and payloads, and to coordinate hardware, software, and operational concepts of different developers and users.

Mcbrayer, R. O.↗

Technology 2000, volume 1

The purpose of the conference was to increase awareness of existing NASA developed technologies that are available for immediate use in the development of new products and processes, and to lay the groundwork for the effective utilization of emerging technologies. There were sessions on the following: Computer technology and software engineering; Human factors engineering and life sciences; Information and data management; Material sciences; Manufacturing and fabrication technology; Power, energy, and control systems; Robotics; Sensors and measurement technology; Artificial intelligence; Environmental technology; Optics and communications; and Superconductivity.

Source record↗

NASA Microgravity Science and Applications Program

Key elements of the microgravity research program as conducted by the Microgravity Science and Applications Division (MSAD) within the Office of Space Science and Applications (OSSA) during fiscal year (FY) 1992 are described. This NASA funded program supported investigators from the university, industry, and government research communities. The program's goals, the approach taken to achieve those goals, and the resources that were available are summarized. It provides a 'snapshot' of the Program's status at the end of FY 1992 and reviews highlights and progress in the ground and flight-based research during the year. It also describes four major space missions that flew during FY 1992, the advanced technology development (ATD) activities, and the plans to use the research potential of Space Station Freedom and other advanced carriers. The MSAD program structure encompassed five research areas: (1) Biotechnology, (2) Combustion Science, (3) Fluid Physics, (4) Materials Science, and (5) Benchmark Physics.

Source record↗

NASA-UVA Light Aerospace Alloy and Structures Technology Program (LA2ST)

The NASA-UVA Light Aerospace Alloy and Structures Technology (LA2ST) Program was initiated in 1986 and continues with a high level of activity. The objective of the LA2ST Program is to conduct interdisciplinary graduate student research on the performance of next generation, light-weight aerospace alloys, composites and thermal gradient structures in collaboration with NASA-Langley researchers. Specific technical objectives are presented for each research project. We generally aim to produce relevant data and basic understanding of material mechanical response, environmental/corrosion behavior, and microstructure; new monolithic and composite alloys; advanced processing methods; new solid and fluid mechanics analyses; measurement and modeling advances; and a pool of educated graduate students for aerospace technologies. Three research areas are being actively investigated, including: (1) Mechanical and environmental degradation mechanisms in advanced light metals, (2) Aerospace materials science, and (3) Mechanics of materials for light aerospace structures.

Scully, John R.↗

NASA-UVA light aerospace alloy and structures technology program (LA2ST)

This progress report covers achievements made between January 1 and June 30, 1966 on the NASA-UVA Light Aerospace Alloy and Structures Technology (LA2ST) Program. The objective of the LA2ST Program is to conduct interdisciplinary graduate student research on the performance of next generation, light-weight aerospace alloys, composites and thermal gradient structures in collaboration with NASA-Langley researchers. Specific technical objectives are presented for each research project. . The accomplishments presented in this report are: (1) Mechanical and Environmental Degradation Mechanisms in Advanced Light Metals, (2) Aerospace Materials Science, and (3) Mechanics of Materials for Light Aerospace Structures. Collective accomplishments between January and June of 1996 include: 4 journal or proceedings publications, 1 NASA progress report, 4 presentations at national technical meetings, and 2 PhD dissertations published.

Gangloff, Richard P.↗

NASA-UVA Light Aerospace Alloy and Structures Technology Program (LA2ST)

The NASA-UVA Light Aerospace Alloy and Structures Technology (LA2ST) Program was initiated in 1986 and continues with a high level of activity. Here, we report on progress achieved between July I and December 31, 1996. The objective of the LA2ST Program is to conduct interdisciplinary graduate student research on the performance of next generation, light-weight aerospace alloys, composites and thermal gradient structures in collaboration with NASA-Langley researchers. Specific technical objectives are presented for each research project. We generally aim to produce relevant data and basic understanding of material mechanical response, environmental/corrosion behavior, and microstructure; new monolithic and composite alloys; advanced processing methods; new solid and fluid mechanics analyses; measurement and modeling advances; and a pool of educated graduate students for aerospace technologies. The accomplishments presented in this report are summarized as follows. Three research areas are being actively investigated, including: (1) Mechanical and Environmental Degradation Mechanisms in Advanced Light Metals, (2) Aerospace Materials Science, and (3) Mechanics of Materials for Light Aerospace Structures.

Gangloff, Richard P.↗

Microgravity: A Teacher's Guide With Activities in Science, Mathematics, and Technology

The purpose of this curriculum supplement guide is to define and explain microgravity and show how microgravity can help us learn about the phenomena of our world. The front section of the guide is designed to provide teachers of science, mathematics, and technology at many levels with a foundation in microgravity science and applications. It begins with background information for the teacher on what microgravity is and how it is created. This is followed with information on the domains of microgravity science research; biotechnology, combustion science, fluid physics, fundamental physics, materials science, and microgravity research geared toward exploration. The background section concludes with a history of microgravity research and the expectations microgravity scientists have for research on the International Space Station. Finally, the guide concludes with a suggested reading list, NASA educational resources including electronic resources, and an evaluation questionnaire.

Rogers, Melissa J. B.↗

Science Capabilities of the Common Habitat

The Common Habitat is the primary habitable element in a conceptual architecture feasibility study for long-duration space exploration with an eight-person crew size. On lunar or planetary surfaces, the Common Habitat forms the core of a Surface Base Camp. In microgravity, the Common Habitat is the core of the Deep Space Exploration Vehicle (DSEV), an in-space transportation spacecraft. The Common Habitat employs a horizontal orientation that is divided internally into a lower deck, mid deck, and upper deck, roughly separating outfitting into individual, work, and group functions. On a planetary surface, the habitat is incorporated into a base camp, located near the south pole in the case of the Moon. The Mars base camp is currently location agnostic. Each base camp is divided into habitation, landing, resource production, and power zones. In microgravity, the habitat is incorporated into the Deep Space Exploration Vehicle, a vessel capable of transporting the crew within the inner solar system. In addition to crew and teleoperated control of external science assets, the Common Habitat employs a suite of life and physical science laboratory systems to enable it to support science investigations across a variety of destination environments, primarily featuring the Moon and Mars, along with the intervening interplanetary space. Other potential destinations include Near Earth Asteroids and Venus and Earth orbits. Located in the aft starboard section of the Common Habitat mid deck, the life science laboratory supports primarily biology and human research. In its baseline configuration, the laboratory includes horizontal work surfaces, freezers, multiple gloveboxes, sample transfer/exposure capability, large instruments, and reconfigurable ISPR-compatible payload bays. The Medical Care Facility and exercise facility can also support life science research. In the aft port section of the mid deck, the physical science laboratory supports physics, chemistry, materials science, geology, and remote sensing (including astrophysics, heliophysics, Earth science, planetary science, and meteorology). It provides a baseline of similar ISPR-compatible payload bays and adds additional freezers, including those for cryogenic sample storage, a remote sensing workstation, more gloveboxes, also with sample transfer/exposure, combustion chambers, fluid mechanics chambers, and a gas chromatograph. It leverages the Command & Control Center for teleoperations of mobile science assets. Both laboratories are highly modular, with the ability to swap out both payloads and instruments on an as-needed basis. The integrated science outfitting of the Common Habitat positions its crew to contribute to all of NASA’s Moon to Mars science objectives and extend human understanding into the inner solar system.

Lunar Suface↗