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DOE OSTI2020

Initial development of a method for correlating indentation test results to damage accumulation in high temperature structural materials

This report describes an experimental approach based on microindentation creep or relaxation tests for assessing the remaining creep life of a sample material. The objective for this experimental program is to complement the development of passively loaded in situ surveillance specimens. These surveillance specimens could be placed in future advanced reactors to assess the degradation of structural properties, primary creep and creep-fatigue life, when the material is exposed to actual reactor operating conditions. The specimens and the corresponding indentation test protocol could form the basis of a structural health monitoring program designed to ensure the safe continued operation of the component given the relatively unknown effect of the reactor coolant chemistry, radiation exposure, and other environmental effects on the material properties of the constituent structural materials.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Summary of Working Group 3: Laser and High-Gradient Structure-Based Acceleration

Accelerating particles at high gradients with high efficiencies is essential for reduction of size and cost of future accelerators for science and industry. This includes a future multi-TeV e+e- collider for particle, free-electron lasers for basic energy sciences and national security, industrial accelerators for energy and environmental applications, and accelerators for other applications. One way to achieve this is to use advanced externally-powered structures, both laser and RF driven. Working Group 3 (WG3) discussed novel accelerating structures with new geometries, new materials, frequencies from microwave to THz and optical spectrum, and operating conditions from room temperature to cryogenic. Presentations included recent advances in understanding RF breakdown and multipactor phenomena at different frequencies and materials, and other physics limitations to the accelerating gradient. Other relevant topics, such as developing high-gradient photoinjectors, high-efficiency RF power sources, and RF structures for a potential muon collider were discussed also. More details on each of the WG3 topics can be found in the articles published in these proceedings.

43 PARTICLE ACCELERATORS↗

DOE OSTI2023

Engineered Wood: Sustainable Technologies and Applications

Natural wood has been used for construction, fuel, and furniture for thousands of years because of its versatility, renewability, and aesthetic appeal. However, new opportunities for wood are arising as researchers have developed ways to tune the material's optical, thermal, mechanical, and ionic transport properties by chemically and physically modifying wood's naturally porous structure and chemical composition. Such modifications can be used to produce sustainable, functional materials for various emerging applications such as automobiles, construction, energy storage, and environmental remediation. In this review, we highlight recent advancements in engineered wood for sustainable technologies, including thermal and light management, environmental remediation, nanofluidics, batteries, and structural materials with high strength-to-weight ratios. Additionally, the current challenges, opportunities, and future of wood research are discussed, providing a guideline for the further development of next-generation, sustainable wood-based materials.

36 MATERIALS SCIENCE↗

NASA NTRS1989

Hypersonic airbreathing vehicle conceptual design (focus on aero-space plane)

The airbreathing single stage to orbit (SSTO) vehicle design environment is variable-rich, intricately networked and sensitivity intensive. As such, it represents a tremondous technology challenge. Creating a viable design will require sophisticated configuration/synthesis and the synergistic integration of advanced technologies across the discipline spectrum. In design exercises, reductions in the fuel weight-fraction requirements projected for an orbital vehicle concept can result from improvements in aerodynamics/controls, propulsion efficiencies and trajectory optimization; also, gains in the fuel weight-fraction achievable for such a concept can result from improvements in structural design, heat management techniques, and material properties. As these technology advances take place, closure on a viable vehicle design will be realizable.

Hunt, James L.↗

DOE OSTI2024

Antiferromagnetic Ordering in A One‐Dimensional Organic Copper Chloride Hybrid Insulator

Abstract Low dimensional (LD) organic metal halide hybrids (OMHHs) have recently emerged as new generation functional materials with exceptional structural and property tunability. Despite the remarkable advances in the development of LD OMHHs, optical properties have been the major functionality extensively investigated for most of LD OMHHs developed to date, while other properties, such as magnetic and electronic properties, remain significantly under‐explored. Here, we report for the first time the characterization of the magnetic and electronic properties of a 1D OMHH, organic‐copper (II) chloride hybrid (C 8 H 22 N 2 )Cu 2 Cl 6 . Owing to the antiferromagnetic coupling between Cu atoms through chloride bridges in 1D [Cu 2 Cl 6 2− ] ∞ chains, (C 8 H 22 N 2 )Cu 2 Cl 6 is found to exhibit antiferromagnetic ordering with a Néel temperature of 24 K. The two‐terminal (2T) electrical measurement on a (C 8 H 22 N 2 )Cu 2 Cl 6 single crystal reveals its insulating nature. This work shows the potential of LD OMHHs as a highly tunable quantum material platform for spintronics.

Islam, Md Sazedul↗

DOE OSTI2020

Local spring effect in titanium-based layered oxides

Titanium-based layered oxides (TLOs) are one of the most promising electrode material families for sodium-ion batteries (NIBs) due to their smooth charge/discharge profiles and excellent cycle performance. However, the reaction mechanism of these materials, especially the reason for the disappearance of multiple voltage plateaus, is still not clear. Herein, two representative TLOs (Na 2/3 Ni 1/3 Ti 2/3 O 2 and Na 2/3 Co 1/3 Ti 2/3 O 2 ) with the same P2 crystal structure have been studied to scrutinize those unexplained issues. In situ synchrotron high-energy X-ray diffraction revealed a solid solution reaction mechanism for both, suggesting the absence of rigid phase transitions upon electrochemical cycling. An interesting “spring effect” of the TiO 6 octahedron, i.e., the reversible vibration of the central Ti atom inside the local octahedron upon electrochemical redox, was demonstrated by advanced X-ray absorption spectroscopy and theoretical calculations. Such an effect could suppress the rigid phase transitions, and result in smooth charge/discharge profiles and enhanced cycle stability. Finally, this work not only accounts for the disappearance of multiple voltage plateaus of TLOs for NIBs, but also provides an effective local-structure viewpoint to increase the cycle stability of electrode materials for other advanced battery systems.

25 ENERGY STORAGE↗

NASA NTRS1997

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

Since 1986, the NASA-Langley Research Center has sponsored the NASA-UVa Light Alloy and Structures Technology (LA2ST) Program at the University of Virginia (UVa). The fundamental 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. The LA2ST program has aimed to product relevant data and basic understanding of material mechanical response, environmental/corrosion behavior, and microstructure; new monolithic and composite alloys; advanced processing methods; measurement and modeling advances; and a pool of educated graduate students for aerospace technologies. The scope of the LA2ST Program is broad. Research areas include: (1) Mechanical and Environmental Degradation Mechanisms in Advanced Light Metals and Composites, (2) Aerospace Materials Science, (3) Mechanics of materials for Aerospace Structures, and (4) Thermal Gradient Structures. A substantial series of semi-annual progress reports issued since 1987 documents the technical objectives, experimental or analytical procedures, and detailed results of graduate student research in these topical areas.

Gangloff, Richard P.↗

NASA NTRS2002

A Survey of Emerging Materials for Revolutionary Aerospace Vehicle Structures and Propulsion Systems

The NASA Strategic Plan identifies the long-term goal of providing safe and affordable space access, orbital transfer, and interplanetary transportation capabilities to enable scientific research, human, and robotic exploration, and the commercial development of space. Numerous scientific and engineering breakthroughs will be required to develop the technology required to achieve this goal. Critical technologies include advanced vehicle primary and secondary structure, radiation protection, propulsion and power systems, fuel storage, electronics and devices, sensors and science instruments, and medical diagnostics and treatment. Advanced materials with revolutionary new capabilities are an essential element of each of these technologies. A survey of emerging materials with applications to aerospace vehicle structures and propulsion systems was conducted to assist in long-term Agency mission planning. The comprehensive survey identified materials already under development that could be available in 5 to 10 years and those that are still in the early research phase and may not be available for another 20 to 30 years. The survey includes typical properties, a description of the material and processing methods, the current development status, and the critical issues that must be overcome to achieve commercial viability.

Harris, Charles E.↗

DOE OSTI2020

Thermal Management by Engineering the Alignment of Nanocellulose

One of the grand current research challenges is to improve the energy efficiency of residential and commercial buildings, which cumulatively consume more than 40% of the energy generated globally. In addition to improving the comfort of the inhabitants and mitigating the growing energy consumption problem, new building materials and technologies could provide a safe strategy for geoengineering to mitigate global climate change. Herein, recent progress in developing such advanced materials from nanocellulose, which is often derived from wood or even dirty feedstocks like waste, is reviewed. By using chemical and bacteria-enabled processing, nanocellulose can be used to fabricate broadband photonic reflectors, thermally super-insulating aerogels, solar gain regulators, and low-emissivity coatings, with potential applications in windows, roofs, walls, and other components of buildings envelopes. These material developments draw inspiration from advanced energy management found in nature, such as the nanoporous photonic structures that evolved in cuticles of beetles. Fabrication of such materials takes advantage of mesoscale liquid crystalline self-assembly, which allows for pre-designed control of cellulose nanoparticle orientations at the mesoscale. Finally, with the potential fully realized, such materials could one day transform the current energy-lossy buildings into energy plants on Earth and possibly even enable extraterrestrial habitats.

36 MATERIALS SCIENCE↗

NASA NTRS1981

Can advanced technology improve future commuter aircraft

The short-haul service abandoned by the trunk and local airlines is being picked up by the commuter airlines using small turboprop-powered aircraft. Most of the existing small transport aircraft currently available represent a relatively old technology level. However, several manufacturers have initiated the development of new or improved commuter transport aircraft. These aircraft are relatively conservative in terms of technology. An examination is conducted of advanced technology to identify those technologies that, if developed, would provide the largest improvements for future generations of these aircraft. Attention is given to commuter aircraft operating cost, aerodynamics, structures and materials, propulsion, aircraft systems, and technology integration. It is found that advanced technology can improve future commuter aircraft and that the largest of these improvements will come from the synergistic combination of technological advances in all of the aircraft disciplines. The most important goals are related to improved fuel efficiency and increased aircraft productivity.

Williams, L. J.↗

NASA NTRS2016

HIAD on ULA (HULA) Orbital Reentry Flight Experiment Concept

This paper describes a proposed orbital velocity reentry flight test of a Hypersonic Inflatable Aerodynamic Decelerator (HIAD). The flight test builds upon ground development activities that continue to advance the materials, design, and manufacturing techniques for the inflatable structure and flexible thermal protection system (F-TPS) that comprise the inflatable heat shield. While certain aspects of material and system performance can be assessed using a variety of ground testing capabilities, only orbital velocity energy on a trajectory through the gradient density of the atmosphere can impart the combined aerodynamic and aeroheating design environments in real time. To achieve this at limited cost, the HIAD would be delivered to a spin-stabilized entry trajectory as a secondary payload on the Centaur stage of a United Launch Alliance (ULA) Atlas V launch vehicle. Initial trajectory studies indicate that the combination of launch vehicle capability and achievable reentry vehicle ballistic numbers make this a strategic opportunity for technology development. This 4 to 6 meter diameter scale aeroshell flight, referred to as HIAD on ULA (HULA), would also contribute to ULA asset recovery development. ULA has proposed that a HIAD be utilized as part of the Sensible, Modular, Autonomous Return Technology (SMART) initiative to enable recovery of the Vulcan launch vehicle booster main engines [1], including a Mid-Air Recovery (MAR) to gently return these assets for reuse. Whereas HULA will attain valuable aerothermal and structural response data toward advancing HIAD technology, it may also provide a largest-to-date scaled flight test of the MAR operation, which in turn would allow the examination of a nearly pristine post-entry aeroshell. By utilizing infrared camera imaging, HULA will also attain aft-side thermal response data, enhancing understanding of the aft side aerothermal environment, an area of high uncertainty. The aeroshell inflation will utilize a heritage design compressed gas system to minimize development costs. The data will be captured to both an onboard recorder and a recorder that is jettisoned and recovered separately from the reentry vehicle to mitigate risk. This paper provides an overview, including the architecture and flight concept of operations, for the proposed HULA flight experiment.

Dinonno, J. M.↗

DOE OSTI2024

Proton-exchange induced reactivity in layered oxides for lithium-ion batteries

LiNi x Co y Mn 1-x-y O 2 (0 < x, y < 1, NCM) is the dominant positive material for the state-of-the-art lithium-ion batteries. However, the sensitivity of NCM materials to moisture makes their manufacturing, storage, transportation, electrode processing and recycling complicated. Although it is recognized that protons play a critical role in their structure stability and performance, proton exchange with Li + in NCM materials has not been well understood. Here, we employ advanced characterizations and computational studies to elucidate how protons intercalate into the layered structure of NCM, leading to the leaching of Li + and the formation of protonated NCM. It is found that protonation facilitates cation rearrangement and formation of impurity phases in NCM, significantly deteriorating structural stability. The adverse effects induced by protons become increasingly pronounced with a higher Ni content in NCM. Through a comprehensive investigation into the thermodynamics and kinetics of protonation, we discover that Li deficiencies in NCM materials can be resolved via solution process in the presence of Li + ions and controlled proton concentration. The underlying mechanism of relithiation is further explored through materials characterizations and kinetics modeling. This work provides crucial insights into controlling structural and compositional defects of Li-ion battery positive material in complicated processing environment.

batteries↗

NASA NTRS1983

Advances and trends in structural and solid mechanics; Proceedings of the Symposium, Washington, DC, October 4-7, 1982

The mechanics of materials and material characterization are considered, taking into account micromechanics, the behavior of steel structures at elevated temperatures, and an anisotropic plasticity model for inelastic multiaxial cyclic deformation. Other topics explored are related to advances and trends in finite element technology, classical analytical techniques and their computer implementation, interactive computing and computational strategies for nonlinear problems, advances and trends in numerical analysis, database management systems and CAD/CAM, space structures and vehicle crashworthiness, beams, plates and fibrous composite structures, design-oriented analysis, artificial intelligence and optimization, contact problems, random waves, and lifetime prediction. Earthquake-resistant structures and other advanced structural applications are also discussed, giving attention to cumulative damage in steel structures subjected to earthquake ground motions, and a mixed domain analysis of nuclear containment structures using impulse functions.

Noor, A. K.↗

DOE OSTI2022

Correlating hidden local structural distortion with antiferroelectric-ferroelectric transition in PbZrO 3 -based perovskites

Externally stimulated antiferroelectric-ferroelectric (AFE-FE) transition makes AFE materials attractive for many applications ranging from energy storage to sensing. This transition-mediated macroscopic electrical characteristics have been extensively investigated, yet the underlying structural evolution remains poorly understood. Herein, we study the local- and long-range structural evolutions in the Nb-doped Pb(Zr,Sn,Ti)O 3 perovskites by in-situ X-ray total scattering and diffraction, which show three different types of AFE-FE transitions. The evolution of long-range structure from diffraction and local structure identified by atomic pair distribution function (PDF) are consistent well with the phase transition behavior indicated by macroscopic polarization/strain measurements, while discrepancies exist. Interestingly, frequently employed long-range structure picture that the uniform AFE pseudo-tetragonal to FE rhombohedral transformation is insufficient to understand the distinct composition-dependent AFE-FE transition behaviours. Instead, the reversibility of this transition correlates with the chemically sensitive local atomic displacements revealed by newly developed in-situ PDF. The critical electric field of transition is associated with the local structural differences between the AFE and FE state. The macroscopic electrostrains can be well estimated by the phase transition associated lattice strain and domain alignment from in-situ synchrotron XRD data, while the local strains calculated from in-situ PDFs are found to be much lower. Finally, these results provide a fresh insight into the AFE-FE transition, and advance the understanding of structure-property relationships in AFE materials.

36 MATERIALS SCIENCE↗

NASA NTRS1988

Pultrusion with thermoplastics for the fabrication of structures in space

The use of the pultrusion method to produce structures in space is proposed. This technique is based on transporting materials in coils or bundles and fabricating the structures in space. Two methods for thermoplastic impregnation of advanced composite are described. The properties of three pultruded thermoplastic matrix materials, polyphenylene sulfide, polyetherimide (PEI), and polyetheretherketone (PEEK) are discussed and evaluated. It is observed that the pultrusions containing PEI and PEEK reveal post-fabrication potential of lightweight, high strength advanced composites and this method of fabrication produces strength values comparable to those of conventional techniques. Earth-based and space-based planetary shelter models are developed and compared. It is noted that cargo storage volume is dependent on a combination of profiles, packaging, and manufacturing methods.

Wilson, Maywood L.↗

NASA NTRSDate not supplied

STMD-GCD Reactive Additive Manufacturing for Fourth Industrial Revolution Exploration Systems (RAMFIRE)

Elementum 3D, in partnership with NASA-MSFC under an ACO, seeks to help further increase launch performance and reduce launch and mission cost by advancing novel additively manufactured (AM) aluminum materials for large-scale complex rocket components and launch vehicle structures. The proposed outcome of this ACO is to advance large-scale directed energy deposition (DED) of highstrength aluminum alloys through process development, characterization, and testing.

RAMFIRE↗

DOE OSTI2024

Predicting non-linear stress–strain response of mesostructured cellular materials using supervised autoencoder

Recent breakthroughs in advanced manufacturing capabilities have made it possible to design and print sophisticated topologies of cellular structures using diverse engineering materials such as metals, polymers, and ceramics. In these architectured materials, it is often desirable to tailor the mechanical properties by altering the unit cell topology. This necessitates an in-depth understanding of how the topology of the unit cell structure affects the macroscopic behavior of the material in both the linear and the non-linear regimes encountered under large compression. Here, we have developed a machine learning (ML) approach capable of accelerating the prediction of the stress–strain response of a polymer-based cellular structure under uniaxial confined compression. As part of generating the training data for ML, 60,000 mesostructures were generated using a relatively novel approach based on cellular automata, and their corresponding stress–strain responses were obtained from the finite element simulations. Principal component analysis (PCA) was used to reduce the dimensionality of the stress–strain curves. With only 20 principal components, PCA captured 99.89% of the variance in the stress–strain curves while reducing the dimensionality by 5X. ML using supervised autoencoder was able to successfully speed up the prediction of the non-linear stress–strain response of a unit cell by up to 4600X. The proposed method can serve as an efficient data generation tool and a rapid means for predicting the structure–property relationship through accelerated forward modeling of cellular materials under compaction, in cases where the macroscopic stress–strain response is governed by the unit-cell topology.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Harnessing Neural Networks for Elucidating X-ray Absorption Structure–Spectrum Relationships in Amorphous Carbon

Improved understanding of structural and chemical properties through local experimental probes, such as X-ray absorption near-edge structure (XANES) spectroscopy, is crucial for the understanding and design of functional materials. In recent years, significant advancements have been made in the development of data science approaches for the automated interpretation of XANES structure–spectrum relationships. However, existing studies have primarily focused on crystalline solids and small molecules, while fewer efforts have been devoted to disordered systems. Thus, in this work, we demonstrate the development of neural network models for predicting and interpreting XANES spectra of amorphous carbon (a-C) from local structural descriptors. Comparison between different structural descriptors expectedly shows that the inclusion of both bond length and bond angle information is necessary for an accurate prediction of the spectra. Among the descriptors considered in this work, we find that the local many-body tensor representation yields the highest accuracy and greatest interpretability so that it can be leveraged to understand the importance of structural motifs in determining XANES spectra. Furthermore, we also discuss performance of neural network models for predicting both local structure features, such as bond lengths and bond angles, and global chemical composition, such as the sp:sp 2 :sp 3 ratio.

36 MATERIALS SCIENCE↗