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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 19 records

Effective defect density for MOS breakdown - Dependence on oxide thickness

A new procedure for measuring effective defect density takes time-dependent primary dielectric breakdown in MOS devices into account. A time-varying breakdown probability is obtained by applying a constant field stress to a statistically sufficient number of MOS capacitors. Effective defects are assumed distributed randomly in two dimensions, hence indistinguishable. The effective defect density is found to vary with oxide thickness; tentative explanations are ventured to account for this (interfacial tensile stress, ion patching enhanced by local trapping, breakdown in the form of filamentary discharges with release of stored electrostatic energy).

Li, S. P.↗

Molecular dynamics studies of lattice defect effects on tritium diffusion in zirconium

Tritium diffusion in α-Zr containing point defects such as vacancies or self-interstitial atoms (SIAs) is simulated using molecular dynamics. Point defects rapidly aggregate to form extended defects, such as 3D nanoclusters and Frank loops. The geometry of extended defects is affected by the presence of tritium. At low temperature and in the absence of tritium, vacancies aggregate to form stacking fault pyramids. Addition of tritium at these temperatures promotes aggregation of vacancies to form 3D nanoclusters, within which the tritium concentration can be sufficiently high to suggest that these defects may serve as nucleation sites for hydride precipitation. Trapping of tritium in vacancy nanocluster reduces the calculated bulk diffusivity by an amount proportional to the vacancy concentration. At high temperature, vacancy clusters change shape to form planar basal dislocation loops, which bind tritium less strongly, leading to a sharp reduction in the fraction of trapped tritium and a corresponding increase in tritium diffusivity at high temperature. In contrast, SIAs increase tritium diffusion through α-Zr. Analysis of atomic trajectories shows that tritium does not interact directly with SIAs. In conclusion, diffusion enhancement is instead related to expansion of the lattice.

36 MATERIALS SCIENCE↗

Effective Defect Detection Using Instance Segmentation for NDI

Ultrasonic testing is a common Non-Destructive Inspection (NDI) method used in aerospace manufacturing. However, the complexity and size of the ultrasonic scans make it challenging to identify defects through visual inspection or machine learning models. Using computer vision techniques to identify defects from ultrasonic scans is an evolving research area. In this study, we used instance segmentation to identify the presence of defects in the ultrasonic scan images of composite panels that are representative of real components manufactured in aerospace. We used two models based on Mask- RCNN (Detectron 2) and YOLO 11 respectively. Additionally, we implemented a simple statistical pre-processing technique that reduces the burden of requiring custom-tailored pre-processing techniques. Our study demonstrates the feasibility and effectiveness of using instance segmentation in the NDI pipeline by significantly reducing data pre-processing time, inspection time, and overall costs.

computer vision techniques↗

Effects of defects in composite structures

The effect of defects in composite structures is addressed. Defects in laminates such as wrinkles, foreign particles, scratches and breaks are discussed. Effects of plygap plywaviness and machining defects are also studied.

Sendeckyj, G. P.↗

Impact of Individual Structural Defects in GaAs Solar Cells: A Correlative and In Operando Investigation of Signatures, Structures, and Effects

Defects usually degrade device performance. Thus, many techniques and effort are devoted to studying semiconductor defects. However, it is rarely known: i) how individual defects affect device performance; ii) how the impact depends on the device operating conditions; iii) how the impact varies from one defect to another; and iv) how these variations are correlated to the microscopic-scale defect structure. To address these crucial questions, an array of correlative and spatially resolved techniques, including electroluminescence, photoluminescence, Raman, I–V characteristics, and high-resolution electron microscopy, are used to characterize dislocation defects in GaAs solar cells. Significantly, the study is carried out in a series mode and in operando. This approach provides quantitative and definitive correlation between the atomistic structure of defects and their explicit effects on device performance, thus giving unprecedented insight into defect physics.

dislocation defects↗

Scaling effects of defects in fiber-reinforced composites

Material defects may be introduced willingly or unwillingly during material manufacturing and structural component fabrication stages. Their presence in the material plays a dominant role in determining the material's strength and the associate failure mechanisms. In the sense that the size and the number of defects may increase with the volume of the material, the effect of dimensional scaling may manifest itself in the dependence of material strength on volume. Or, alternatively, there may exist a scaling effect of material defects. In fiber-reinforced composites, manufacturing or fabrication defects may come in several forms: matrix voids, matrix microcracks, fiber misalignment, broken fibers, or interface disbonds, just to mention a few. These are interacting and competing defects in the sense that one type of defect may become dominant under one stress condition and another type of defect may become dominant under a different stress condition. This happens because the fiber reinforcement network, together with the distribution of defects, constitutes the prime microstructure of the composite, and there exist continued interactions between the evolving microstructure and the distribution of defects. In the process, the scaling effects of defects are complicated by this interaction. In this presentation, the scaling effects of defects in fiber-reinforced composites will be briefly discussed with the introduction of the concept of effective defects. It is then shown with the aid of some actual experimental and analysis results that the scaling effects are very much present, but they are regulated by the characteristic dimension of the composite microstructure due to the aforementioned microstructure-defect interaction effect.

Wang, A. S. D.↗

Composite components under impact load and effects of defects on the loading capacity

Investigations were carried out on a horizontal tail assembly made of carbon fiber reinforced plastic for the Alpha Jet. The possibility of obtaining a leading edge nose design lighter but not more expensive than a metal version was studied. An important consideration was sufficient resistance of the leading edge against impact of stones and hailstones combined with high degree of stiffness. The improvement of energy reception characteristics of the materials through suitable laminate design was considered. Since certain defects occur in structural components, the effects of such defects on the characteristics of the parts were also studied.

Aoki, R.↗

Effects of Radiation-Induced Defects on Corrosion

The next generation of nuclear reactors will expose materials to conditions that, in some cases, are even more extreme than those in current fission reactors, inevitably leading to new materials science challenges. Radiation-induced damage and corrosion are two key phenomena that must be understood both independently and synergistically, but their interactions are often convoluted. In the light water reactor community, a tremendous amount of work has been done to illuminate irradiation-corrosion effects, and similar efforts are under way for heavy liquid metal and molten salt environments. While certain effects, such as radiolysis and irradiation-assisted stress corrosion cracking, are reasonably well established, the basic science of how irradiation-induced defects in the base material and the corrosion layer influence the corrosion process still presents many unanswered questions. In this review, we summarize the work that has been done to understand these coupled extremes, highlight the complex nature of this problem, and identify key knowledge gaps.

36 MATERIALS SCIENCE↗

Simulated effect of defect volume and location on very high cycle fatigue of laser beam powder bed fused AlSi10Mg

This study quantifies the interaction between volumetric defect location and size on the very high cycle fatigue (VHCF) of laser beam powder bed fused (LB-PBF) AlSi10Mg. Crystal plasticity finite element method (CPFEM) simulations were used to investigate the effects of defect location and size on the driving force for crack initiation. The CPFEM model was calibrated against uniaxial and cyclic experimental data of LB-PBF AlSi10Mg. Defect characteristics were informed by experimental data from the specimens produced in various geometries to create realistic representative volume elements (RVEs) with equivalent volume fractions of defects. By embedding defects of varying sizes and locations within the RVEs, fatigue indicator parameters (FIPs) were calculated to analyze the impact of defects’ characteristics on fatigue performance. Different combinations of defect volume and locations were generated for various microstructure instantiations, providing insight into extreme value fatigue responses. Larger defect volumes located on free surfaces consistently generated the highest FIPs, suggesting defect size and boundary proximity intensify stress concentration effects. RVEs with multiple smaller defects produced lower FIPs than those with single large critical defects. These findings underscore the critical role of defect characteristics on fatigue life, providing a foundation for future predictive modeling in fatigue-sensitive AM applications.

AlSi10Mg↗

Effects of defect recombination centers on radiation damage in solar cells

Defect production in silicon is modeled on a computer by solving a large system of rate equations. The model includes the main, known defects that are stable at operating temperatures of solar cells in outer space; most of these defects are secondary and tertiary defects. The preliminary result shows that the presence of defect recombination centers for primary defects (i.e., vacancy and interstitial) can effectively reduce the production rates of those stable defects and, consequentially, improve the lifetime of solar cells operating in radiation environment. The characteristics of the defect recombination center required for better solar cell performance along with prospective candidates are discussed.

Cheng, L. J.↗

Predicting Oxygen Off-Stoichiometry and Hydrogen Incorporation in Complex Perovskite Oxides

Chemically and structurally complex solid compounds, including those with significant off-stoichiometry, are rapidly extending new material functionality across a variety of applications. Accelerated development of these compounds requires accurate predictions of material defect properties including effective defect formation energies and equilibrium defect concentrations. Traditional first-principles approaches typically examine dilute defect concentrations and relatively ordered atomic structures to identify the lowest energy defect sites. These approaches are rarely suitable for describing the disorder present in these systems and its influence on defect formation, which can lead to unphysically large predictions for defect concentrations. Here, we demonstrate a new method to accurately predict the temperature and pressure dependence of oxygen vacancy concentrations and proton interstitial concentrations in complex oxides. This method extends standard dilute defect calculations to incorporate atomic and magnetic disorder, employs the ensemble descriptions of defect sites resulting in improved predictions of defect formation energies, and accounts for effects beyond the dilute defect limit. To demonstrate our method, we show that the predicted defect concentrations in perovskites used as ceramic fuel cell cathodes, including Ba0.5Sr0.5Fe0.8Zn0.2O3-d, Ba0.5Sr0.5Co0.8Fe0.2O3-d, and BaCo1-x-y-zFexZryYzO3-d, are in good agreement with experimental values, thereby opening the door for predictive design of complex oxides by these applications.

DFT↗

Effects of Defects Analysis and Sizing Framework for Efficient Design of Composite Structures

Design of large composite structures requires striking a balance between permitted flaw size,strength margins, weight, and production rate. Stringent requirements manufacturing flaws can result in a lightweight structure because the strength properties are assumed to be closer to pristine. However, these stringent requirements can lead to production delays due to increased inspection and rework needed during the layup and rejection of parts after cure. Conversely, permitting larger flaws can reduce production delays, but will likely result in a heavier structure due to increased conservatism needed to maintain acceptable structural margins. The tradeoff between these criteria can vary between different structures and material systems, so the balance between manufacturing and design requirements is always a moving target. Assessment of this tradeoff requires having the ability to quickly evaluate the impact of flaw size on strength margin across an entire structure for a large number of load cases. The approach taken in this work is to implement an effects of defects analysis and sizing framework within HyperX. HyperX performs optimization of composite structures; this capability has been enhanced to include structural flaw data in the margin of safety calculations performed during optimization. Both the flaw import process and analysis of flaws have been generalized such that any flaw type from any source can be considered. The resulting tool enables rapid assessment of the impact of defects both at a vehicle and part level.

Effects of defects↗

Effects of Defects Analysis and Sizing Framework for Efficient Design of Composite Structures

Design of large composite structures requires striking a balance between permitted flaw size,strength margins, weight, and production rate. Stringent requirements manufacturing flaws can result in a lightweight structure because the strength properties are assumed to be closer to pristine. However, these stringent requirements can lead to production delays due to increased inspection and rework needed during the layup and rejection of parts after cure. Conversely, permitting larger flaws can reduce production delays, but will likely result in a heavier structure due to increased conservatism needed to maintain acceptable structural margins. The tradeoff between these criteria can vary between different structures and material systems, so the balance between manufacturing and design requirements is always a moving target. Assessment of this tradeoff requires having the ability to quickly evaluate the impact of flaw size on strength margin across an entire structure for a large number of load cases. The approach taken in this work is to implement an effects of defects analysis and sizing framework within HyperX. HyperX performs optimization of composite structures; this capability has been enhanced to include structural flaw data in the margin of safety calculations performed during optimization. Both the flaw import process and analysis of flaws have been generalized such that any flaw type from any source can be considered. The resulting tool enables rapid assessment of the impact of defects both at a vehicle and part level.

Effects of defects↗

Environmental effects on defect growth in composite materials

Data for evaluating the effects of moisture and temperature on the integrity of fiber composite components was gathered. In particular, the static and cyclic performance of three composite laminates containing flaws was investigated at room temperature and at 422 K (300 F) in wet and dry conditions.

Porter, T. R.↗

HCOOH Decomposition on Sub-Nanometer Pd 6 Cluster Catalysts: The Effect of Defective Boron Nitride Supports Through First Principles

The catalytic properties of a hexagonal boron nitride- (h-BN) supported Pd 6 sub-nanometer cluster in the context of formic acid (HCOOH) decomposition were studied by means of periodic Density Functional Theory (DFT) calculations. The effect of support defectivity – boron (h-B v N) and nitrogen (h-BN v ) monovacancies – on the competition between the formate (HCOO)- and carboxyl (COOH)-mediated decomposition pathways was analyzed. Defects are responsible for charge-transfer leading to a positively or negatively charged cluster, and open new reactive channels in which vacancy-mediated dehydrogenation pathways can occur. Pd 6 cluster reconstructions, induced by the adsorption of reaction intermediates and by the presence of monovacancies in the support, greatly stabilize the formation of CO from COOH, which could drastically decrease the selectivity towards hydrogen production. Here, a simplified descriptor-based analysis, based on selected thermochemical quantities calculated on charged cluster models, suggests that Pd 6 sub-nanometer clusters supported on pristine h-BN and h-BN v can be more selective than Pd 6 supported on defective h-B v N towards HCOOH dehydrogenation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗