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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
NASA NTRS1997

Thermal Characterization of Defects in Aircraft Structures Via Spatially Controlled Heat Application

Recent advances in thermal imaging technology have spawned a number of new thermal NDE techniques that provide quantitative information about flaws in aircraft structures. Thermography has a number of advantages as an inspection technique. It is a totally noncontacting, nondestructive, imaging technology capable of inspecting a large area in a matter of a few seconds. The development of fast, inexpensive image processors have aided in the attractiveness of thermography as an NDE technique. These image processors have increased the signal to noise ratio of thermography and facilitated significant advances in post-processing. The resulting digital images enable archival records for comparison with later inspections thus providing a means of monitoring the evolution of damage in a particular structure. The National Aeronautics and Space Administration's Langley Research Center has developed a thermal NDE technique designed to image a number of potential flaws in aircraft structures. The technique involves injecting a small, spatially controlled heat flux into the outer surface of an aircraft. Images of fatigue cracking, bond integrity and material loss due to corrosion are generated from measurements of the induced surface temperature variations. This paper will present a discussion of the development of the thermal imaging system as well as the techniques used to analyze the resulting thermal images. Spatial tailoring of the heat coupled with the analysis techniques represent a significant improvement in the delectability of flaws over conventional thermal imaging. Results of laboratory experiments on fabricated crack, disbond and material loss samples will be presented to demonstrate the capabilities of the technique. An integral part of the development of this technology is the use of analytic and computational modeling. The experimental results will be compared with these models to demonstrate the utility of such an approach.

Cramer, K. Elliott↗
NASA NTRS2026

Evaluation of Superalloy 718 Additively Manufactured Lattice Blocks

Lattice block structures made up of high temperature superalloys could offer advantages in density, efficiency, and tailored properties. Three candidate lattice designs were screened through additive manufacturing of superalloy 718. Laser powder bed fusion was applied with 718 powder to produce lattice blocks for three-dimensional octahedral unit cell designs of three heights. As-designed versus additively manufactured 718 lattices were compared, including structural dimensions, densities, defects, grain structures, crystallographic texture, and surface residual stresses. Manufactured lattice I diverged the most from its design, with both corner and center nodes merged into continuous columns. Manufactured lattice III came closest to its design, though the actual nodes and struts were still larger in cross section than in the design. Only modest grain coarsening and negligible chemical segregation were observed for all three designs, suggesting uniform thermo-physical and mechanical properties are possible. Significant tensile residual stresses were present at the surface of the manufactured blocks, with highest stresses in the building direction. Current findings indicate this concept could produce useful superalloy structures for high-temperature-capable static components requiring tailored density, and thermo-physical/mechanical properties.

super alloys↗
NASA NTRSDate not supplied

Evaluations of Additively Manufactured Superalloy Lattice Blocks

Cast lattice block structures made up of high-temperature superalloys were previously shown to offer advantages in density, efficiency, and tailored properties. However, inconsistencies in casting die-fill, composition, and microstructure were identified as persistent issues with the casting process path. Three candidate lattice designs were screened through additive manufacturing of a superalloy. Laser powder bed fusion was applied with superalloy powder to produce lattice blocks for three-dimensional octahedral unit-cell designs of three heights. Properties of the structural designs versus additively manufactured lattices were compared, including structural dimensions, densities, defects, grain structures, crystallographic texture, and surface residual stresses. Findings indicate this concept could produce useful superalloy structures for high-temperature-capable static components requiring tailored density, and thermophysical and mechanical properties.

superalloy↗
DOE OSTI2022

Electronic structure and magnetism of pristine, defected, and strained $\mathrm{Ti_2N}$ $\mathrm{MX}$ene

Here, from first principles electronic structure calculations, we unravel the evolution of structural, electronic, and magnetic properties of pristine, defected, and strained titanium nitride MXene with different functional groups (-F, -O, -H, and -OH). The formation and cohesive energies reveal their chemical stability. The dynamical stability of Ti 2 N mono-layer is also confirmed by phonon calculations. The MAX phase and defect free functionalized MXenes are metallic except for oxygen terminated (Ti 2 NO 2 ) one which is 100% spin polarized half-metallic ferromagnet. The spin–orbit coupling significantly influences the bare MXene (Ti 2 N) to exhibit Dirac topology and band inversion near the high symmetry directions. The strain effect sways the Fermi level thereby shifting it towards lower energy state under compression and towards higher energy state under tensile strain in Ti 2 NH 2 . The Ti 2 NO 2 exhibits exotic electronic structure not only in pristine but also in strained and defected structures. Its half-metallic nature changes to semi-metallic under 1% compression and it is completely destroyed under 2% compression. In single vacancy defect, its band structure remarkably transforms from half-metallic to semi-conducting with large band gap in 12.5% Ti, weakly semi-conducting in 5.5% Ti, and semi-metallic in 12.5% O. The 25% N defect changes its half-metallic characteristic to metallic. Further, the 12.5% Co substitution preserves its half-metallic character, whereas Mn substitution allows it to convert half-metallic characteristic into weak semi-metallic characteristic preserving ferromagnetism. However, Cr substitution converts half-metallic ferromagnetic state to half-metallic anti-ferromagnetic state. The understanding made here on collective structural stability, and electronic band structure, and magnetic phenomena in novel 2D Ti 2 N derived MXenes open up their possibility in designing them for synthesis.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Probing the local structure of Bi 2 O 3 chemical derivatives: the neglected cation sublattice

High-resolution synchrotron X-ray diffraction data confirm the stabilization of the average structure at ambient temperatures as a defect fluorite structure in ternary and quaternary oxides of Bi 2 O 3 , where some Bi cations are replaced with Dy 3+ and/or Er 3+ , Nb 5+ and W 6+ . Rietveld refinement of the diffraction data indicates that when the larger cation Er 3+ (0.89 Å) is replaced with smaller cations W 6+ (0.42 Å) and/or Nb 5+ (0.48 Å), the unit-cell parameter a, based on the relative ionic radii of the substituents, counterintuitively increases. Total scattering data show that the identity of the cation substituent is important in determining the positions of some Bi cations in the defect fluorite structure. Er 3+ and Dy 3+ cations induce monoclinic-like distortions that extend only locally in the Bi 3+ sublattice. X-ray absorption spectroscopy provides evidence that some Dy cations, in the δ phases, prefer to keep a similar local environment to that in the parent Dy 2 O 3 . W cations are found to be predominantly tetrahedrally coordinated in the δ phases explored in this work.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Iridium Nanocrystals Enriched with Defects and Atomic Steps to Enhance Oxygen Evolution Reaction Performance

The presence of defects can significantly improve catalytic activity and stability, as they influence the binding of the reactants, intermediates, and products to the catalyst. Controlling defects in the structures of nanocrystal catalysts is synthetically challenging. In this study, we demonstrate the ability to control the growth of Ir nanocrystals, enabling the tuning of both structural and surface defects. The Ir nanocrystals have unique structures that range from single crystals of a few nanometers to twinned nanoparticles and multiply twinned crystallites with a high density of atomic steps. Further, this approach of defect engineering enables us to understand their roles in enhancing the performance of the OER and producing an Ir catalyst with both high activity and stability. Our results show the importance of the concept of using synthetic control of structural and surface defects in metal nanoparticles as a strategy to improve catalytic performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Metal chalcogenides for pseudocapacitive applications

A synthetic metal dichalcogenide having a highly defected nanocrystalline layered structure, wherein layer spacing is larger than in perfect crystals of the same material, wherein the defected structure provides access to interlayer crystals of the same material, and wherein the defected structure facilitates a pseudocapacitive charge storage mechanism. The metal dichalcogenide is receptive to intercalation of ions such as Li ions, Na ions, Mg ions, and Ca ions, and does not undergo a phase transition upon intercalation of Li ions, Na ions, Mg ions, or Ca ions. The metal dichalcogenide can be used, for example, as a component of an electrode that also includes a carbon derivative, and a binder, which are intermixed to form the electrode. The resultant composite electrode is highly porous and highly electronically conductive, and is suitable for use in devices such as symmetric capacitors, asymmetric capacitors, rocking chair batteries, and other devices.

25 ENERGY STORAGE↗
DOE OSTI2021

Intrinsic doping limitations in inorganic lead halide perovskites

Inorganic halide perovskites (HP's) of the CsPbX 3 (X = I, Br, Cl) type have reached prominence in photovoltaic solar cell efficiencies, leading to the expectation that they are a new class of semiconductors relative to the traditional ones. Peculiarly, they have shown an asymmetry in their ability to be doped by holes vs. electrons. Indeed, both structural defect-induced doping as well as extrinsic impurity-induced doping strangely often result in HP's in a unipolar doping (dominantly p-type) with low free carriers’ concentration. This raises the question whether such doping limitations presents just a temporary setback due to insufficient optimization of the doping process, or perhaps this represents an intrinsic, physically-mandated bottleneck. Here we study three fundamental Design Principles (DP's) for ideal doping, applying them via density functional doping theory to these HP's, thus identifying the violated DP that explains the doping limitations and asymmetry in these HP's. Here, the target DP are: (i) requires that the thermodynamic transition level between different charge states induced by the dopants must ideally be energetically shallow both for donors (n-type) or acceptors (p-type); DP-(ii) requires that the ‘Fermi level pinning energies’ for electrons E (n) pin and holes E (p) pin (being the limiting value of the Fermi level before a structural defect that compensate the doping forms spontaneously) should ideally be located inside the conduction band for n-type doping and inside the valence band for p-type doping. DP-(iii) requires that the doping-induced shift in equilibrium Fermi energy ΔE (n) F towards the conduction band for n-type doping (shift of ΔE (p) F towards the valence band, for p-type doping) to be sufficiently large. We find that, even though in HP's based on Br and Cl there are numerous shallow level dopants that satisfy DP-(i), in contrast DP-(ii) is satisfied only for holes and DP-(iii) fails for both holes and electrons, being the ultimate bottleneck for the n-type doping in Iodide HP's. This suggests an intrinsic mechanism for doping limitations in this class of semiconductors in terms of recognized physical mechanisms.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Interfaces in Halide Perovskites: Passivating Defects and Probing Grain Structure

In this talk we describe the role of interfaces, surface defects, and strain on non-radiative recombination losses in hybrid perovskite semiconductors. Using combinations of scanning-probe, electron backscatter diffraction (EBSD), and time-resolved photoluminescence microscopy and spectroscopy, we explore the microscopic origins of non-radiative recombination in both archetypal methylammonium lead tri-iodide (MAPI), and more advanced mixed-cation perovskites. Using EBSD, we image local grain orientation and strain, and correlate surface strain with increased non-radiative recombination in MAPI. We explore the interface between the perovskite and various common charge extraction layers, combining experiment and simulation to show that surface recombination at the charge extraction layers is a limitation in current perovskite solar cell architectures. Finally, we explore alternative passivation and extraction layers to propose ways to more routinely approach the theoretical voltage limits in perovskite photovoltaic using scalable process chemistry.

14 SOLAR ENERGY↗
DOE OSTI2021

Performance of Pulsed Thermal Tomography Imaging with Machine Learning-Based Classification of Defects in Additively Manufactured Structures

Additive manufacturing (AM) is an emerging method for cost-efficient fabrication of complex topology nuclear reactor parts from high-strength corrosion resistance alloys, such as stainless steel and Inconel. AM of metallic structures for nuclear energy applications is currently based on laser powder bed fusion (LPBF) process. Some of the challenges with using LPBF method for nuclear manufacturing include the possibility of introducing pores into metallic structures. Integrity of AM structures needs to be evaluated nondestructively because material flaws could lead to premature failures in high temperature nuclear reactor environment. Currently, there exist limited capabilities to evaluate actual AM structures non-destructively. Pulsed Thermal Tomography Imaging (PTT) provides a capability for non-destructive evaluation (NDE) of subsurface defects in arbitrary size structures. The PTT method is based on recording material surface temperature transients with infrared (IR) camera following thermal pulse delivered on material surface with flash light. The PTT method has advantages for NDE of actual AM structures because the method involves one-sided non-contact measurements and fast processing of large sample areas captured in one image. Following initial qualification of an AM component for deployment in a nuclear reactor, a PTT system can also be used for in-service nondestructive evaluation (NDE) applications. In this report, we describe recent progress in enhancing PTT capabilities in detecting and visualizing microscopic defects in metallic specimens. The thermal tomography (TT) algorithm obtains depth reconstructions of spatial effusivity from the data cube of sequentially recorded surface temperatures. However, interpretation of TT images is non-trivial because of blurring of images with increasing depth. To address this challenge, we have developed a deep learning convolutional neural network (CNN) to classify size and orientation subsurface defects in simulated TT images. CNN is trained on a database of TT images created for a set of simulated metallic structures with elliptical subsurface voids. Test of CNN performance demonstrate the ability to classify radii and angular orientation of subsurface defects in TT images. In addition, we have shown that CNN trained on elliptical defects is capable of classifying irregular-shaped defects obtained from scanning electron microscopy (SEM) of stainless steel sections printed with LPBF.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

Pristine or Highly Defective? Understanding the Role of Graphene Structure for Stable Lithium Metal Plating

The role of graphene host structure/chemistry in plating–stripping in lithium metal anodes employed for lithium metal batteries is first examined in this study. Structural and chemical defects are bad, since highly defective graphene promotes unstable solid electrolyte interphase (SEI) growth. This consumes the fluoroethylene carbonate (FEC) additive in the carbonate electrolyte and is correlated with rapid decay in Coulombic efficiency (CE) and formation of filament-like Li dendrites. A unique flow-aided sonication exfoliation method is employed to synthesize “defect-free” graphene (df-G), allowing for a direct performance comparison with conventional reduced graphene oxide (r-GO). At cycle 1, the r-GO is better electrochemically wetted by Li than df-G, indicating that initially it is more lithiophilic. With cycling, the nucleation overpotential with r-GO becomes higher than with df-G, indicating less facile plating reactions. The df-G yields state-of-the-art electrochemical performance, with the post cycled metal surface being relatively smooth and dendrite-free. Conversely, r-GO templates have CE rapidly degrade from the onset, with extensive dendrites after cycling. Severe SEI growth and associated FEC depletion with r-GO are further confirmed by electrochemical impedance analysis and surface science methods. Finally, a new design rule is provided for Li metal templates: An ideal host must be noncatalytic toward SEI formation.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Resonant inelastic X-ray scattering of tantalum double perovskite structures

In this paper, we investigated the electronic structures and defect states of SrLaMgTaO 6 (SLMTO) double perovskite structures by using resonant inelastic x-ray scattering. Recently, Eu 3+ doped SLMTO red phosphors have been vigorously investigated due to their higher red emission efficiency compared to commercial white light emitting diodes (W-LED). However, a comprehensive understanding on the electronic structures and defect states of host SLMTO compounds, which are specifically related to the W-LED and photoluminescence (PL), is far from complete. Here, we found that the PL spectra of SLMTO powder compounds sintered at a higher temperature, 1400 °C, were weaker in the blue emission regions (at around 400 nm) and became enhanced in near infrared (NIR) regions compared to those sintered at 1200 °C. To elucidate the difference of the PL spectra, we performed resonant inelastic x-ray spectroscopy (RIXS) at Ta L-edge. Here, our RIXS result implies that the microscopic origin of different PL spectra is not relevant to the Ta-related defects and oxygen vacancies.

36 MATERIALS SCIENCE↗
NASA NTRS2001

Progressive Fracture of Composite Structures

This report includes the results of a research in which the COmposite Durability STRuctural ANalysis (CODSTRAN) computational simulation capabilities were augmented and applied to various structures for demonstration of the new features and verification. The first chapter of this report provides an introduction to the computational simulation or virtual laboratory approach for the assessment of damage and fracture progression characteristics in composite structures. The second chapter outlines the details of the overall methodology used, including the failure criteria and the incremental/iterative loading procedure with the definitions of damage, fracture, and equilibrium states. The subsequent chapters each contain an augmented feature of the code and/or demonstration examples. All but one of the presented examples contains laminated composite structures with various fiber/matrix constituents. For each structure simulated, damage initiation and progression mechanisms are identified and the structural damage tolerance is quantified at various degradation stages. Many chapters contain the simulation of defective and defect free structures to evaluate the effects of existing defects on structural durability.

Minnetyan, Levon↗
DOE OSTI2024

Topologically trivial gap-filling in superconducting Fe(Se,Te) by one-dimensional defects

Abstract Structural distortions and imperfections are a crucial aspect of materials science, on the macroscopic scale providing strength, but also enhancing corrosion and reducing electrical and thermal conductivity. At the nanometre scale, multi-atom imperfections, such as atomic chains and crystalline domain walls have conversely been proposed as a route to topological superconductivity, whose most prominent characteristic is the emergence of Majorana Fermions that can be used for error-free quantum computing. Here, we shed more light on the nature of purported domain walls in Fe(Se,Te) that may host 1D dispersing Majorana modes. We show that the displacement shift of the atomic lattice at these line-defects results from sub-surface impurities that warp the topmost layer(s). Using the electric field between the tip and sample, we manage to reposition the sub-surface impurities, directly visualizing the displacement shift and the underlying defect-free lattice. These results, combined with observations of a completely different type of 1D defect where superconductivity remains fully gapped, highlight the topologically trivial nature of 1D defects in Fe(Se,Te).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Influence of Superlattice Structure on V-Defect Distribution, External Quantum Efficiency and Electroluminescence for Red InGaN Based µLEDs on Silicon

Achieving high quantum efficiency in long-wavelength LEDs has posed a significant challenge to the solid-state lighting and display industries. In this article, we use V-defect engineering as a technique to achieve higher efficiencies in red InGaN LEDs on (111) Si through lateral injection. We investigate the effects of superlattice structure on the V-defect distribution, the electroluminescence properties, and the external quantum efficiency. Increasing the relative thickness of In in the InGaN/GaN superlattice and the total superlattice thickness correlate with a reduction of active region defects and increased external quantum efficiencies. The highest measured on-chip EQE was 0.15% and based on Monte-Carlo ray tracing simulations for light extraction we project this would correspond to a flip-chip EQE of ~2.5%.

36 MATERIALS SCIENCE↗