Formation Mechanism Of Defects Research Articles

Research on the formation and evolution mechanism of cracks in laser stealth dicing of silicon carbide crystals

In this study, to enhance the cutting efficiency and precision of the chip while minimizing waste from cutting damage, molecular dynamics simulation is used to investigate the formation mechanism of defects and cracks of silicon carbide crystals during the laser stealth dicing. The results showed that the high thermal stress generated by the laser scanning induced the production and expansion of cracks. Thus, the crack propagates in the direction of [100], and subsequently forms branches in the directions of [101] and [101‾]. It also can be found that the silicon carbide crystals produced dislocation slip, and the dislocation lines moved along the slip surface, which impeded the crack extension in the directions of [101‾] and [1‾01‾]. In addition, atomic phase transformation and loss is occurred under the high-temperature environment of the laser heating process. Cubic diamond crystal structure atoms are partially transformed into amorphous structure, while a small portion transformed into hexagonal diamond structure. The crystal structural arranged orderliness temporarily increased and then rapidly decreased due to prefabrication defects, and new unknown crystal structures are produced.

Area-Selective Atomic Layer Deposition of Ru Using Carbonyl-Based Precursor and Oxygen Co-Reactant: Understanding Defect Formation Mechanisms.

Area selective deposition (ASD) is a promising IC fabrication technique to address misalignment issues arising in a top-down litho-etch patterning approach. ASD can enable resist tone inversion and bottom-up metallization, such as via prefill. It is achieved by promoting selective growth in the growth area (GA) while passivating the non-growth area (NGA). Nevertheless, preventing undesired particles and defect growth on the NGA is still a hurdle. This work shows the selectivity of Ru films by passivating the Si oxide NGA with self-assembled monolayers (SAMs) and small molecule inhibitors (SMIs). Ru films are deposited on the TiN GA using a metal-organic precursor tricarbonyl (trimethylenemethane) ruthenium (Ru TMM(CO)3) and O2 as a co-reactant by atomic layer deposition (ALD). This produces smooth Ru films (<0.1 nm RMS roughness) with a growth per cycle (GPC) of 1.6 Å/cycle. Minimizing the oxygen co-reactant dose is necessary to improve the ASD process selectivity due to the limited stability of the organic molecule and high reactivity of the ALD precursor, still allowing a Ru GPC of 0.95 Å/cycle. This work sheds light on Ru defect generation mechanisms on passivated areas from the detailed analysis of particle growth, coverage, and density as a function of ALD cycles. Finally, an optimized ASD of Ru is demonstrated on TiN/SiO2 3D patterned structures using dimethyl amino trimethyl silane (DMA-TMS) as SMI.

Unveiling the Effect of Cooling Rate on Grown-in Defects Concentration in Polycrystalline Perovskite Films for Solar Cells with Improved Stability.

Numerous efforts are devoted to reducing the defects at perovskite surface and/or grain boundary; however, the grown-in defects inside grain is rarely studied. Here, the influence of cooling rate on the point defects concentration in polycrystalline perovskite film during heat treatment processing is investigated. With the combination of theoretical and experimental studies, this work reveals that the supersaturated point defects in perovskite films generate during the cooling process and its concentration improves as the cooling rate increases. The supersaturated point defects can be minimized through slowing the cooling rate. As a result, the optimized FAPbI3 polycrystalline films achieve a superior carrier lifetime of up to 12.6 µs and improved stability. The champion device delivers a 25.47% PCE (certified 24.7%) and retain 90% of their initial value after >1100 h of operation at the maximum power point. These results provide a fundamental understanding of the mechanisms of grown-in defects formation in polycrystalline perovskite film.

BRIDGING DATA GAPS: A FEDERATED LEARNING APPROACH TO HEAT EMISSION PREDICTION IN LASER POWDER BED FUSION

Abstract Deep learning has impacted defect prediction in Additive Manufacturing (AM), which is important to ensure process stability and part quality. However, its success depends on extensive training, requiring large, homogenous datasets–remaining a challenge for the AM industry, particularly for small- and medium-sized enterprises (SMEs). The unique and varied characteristics of AM parts, along with the limited resources of SMEs, hampers data collection, posing difficulties in the independent training of deep learning models. Addressing these concerns requires enabling knowledge sharing from the similarities in the physics of the AM process and defect formation mechanisms while carefully handling privacy concerns. Federated learning (FL) offers a solution to allow collaborative model training across multiple entities without sharing local data. This paper introduces an FL framework to predict section-wise heat emission during Laser Powder Bed Fusion (LPBF), a vital process signature. It incorporates a customized Long Short-Term Memory (LSTM) model for each client, capturing the dynamic AM process's time series properties without sharing sensitive information. Three advanced FL algorithms are integrated–FedAvg, FedProx, and FedAvgM–to aggregate model weights rather than raw datasets. Experiments demonstrate that the FL framework ensures convergence and maintains prediction performance comparable to individually trained models. This work demonstrates the potential of FL-enabled AM modeling and prediction where SMEs can improve their product quality without compromising data privacy.

Numerical simulation and experimental investigation of the molten pool evolution and defects formation mechanism of Selective laser melted CuSn20/Diamond composites

Some defects such as small pores, thermal damage of diamond particle and micro-cracks between diamond and metal matrix existed in SLM-fabricated metal-bonded diamond tools. For further application, it is vital to understand the formation mechanism of such defects by SLM-fabricated parameters. In this work, a multiphysics field numerical simulation model based on computational fluid dynamics (CFD) was developed to investigate molten pool evolution and defects formation mechanism for SLM-fabricated CuSn20-bonded diamond composites. From simulation results, the metal particles melt and flow forward under the action of the laser. Also, the presence of diamond particles can obstruct the normal flow of melted CuSn20 fluid. Increasing the laser power can widen and stabilize the molten pool, however, exacerbate the thermal damage of diamond particles. Specially, the migration and marginalisation of the diamond particles during the formation of molten pool were found by simulation and experimental results. Unavoidably, there are obvious gaps in the interfacial bonding region of diamond and CuSn20 due to the comprehensive reasons of thermal gradient, differences in thermophysical properties of two materials and undergo continuous migration and rotational behavior of diamond particles. These findings have potential value for understanding and optimizing the process of SLM-fabricated metal-bonded diamond tools.

Research status of laser powder bed fusion Al–Li alloys and its improvement measures

Laser powder bed fusion (LPBF) Al–Li alloy technology demonstrates adaptability to the development requirements of structural complexity and functional integration, making it a promising area of research in additive manufacturing for the aerospace, defense industry, and other fields. However, challenges such as microstructure anisotropy and metallurgical defects inevitably arise during the LPBF process of lightweight alloys, significantly impeding further enhancements in their formability properties. Some improvement measures offer a viable solution to enhance the microstructure, mitigate metallurgical defects, and optimize residual stress distribution in additive structures, thereby enabling high–performance Al–Li alloy production by LPBF. This paper first introduces the fundamental principle of LPBF and discusses the process of parameter optimization for LPBF Al–Li alloys. It then describes the typical microstructures and common metallurgical defects of LPBF Al–Li alloys, along with examining the evolution process of microstructures and formation mechanism of metallurgical defects. Specifically, it focuses on discussing the influence of Li element on solidification structure. On this basis, it presents the mechanical properties and anisotropy of mechanical properties for LPBF Al–Li alloys. Afterward, a comprehensive review is provided of the current research status regarding LPBF improvement measures, including powder alloying, heat treatment, and other technologies. Emphasis is placed on improvements in microstructure anisotropy and reductions in metallurgical defects through these improvement measures. Finally, this article summarizes the research progress made in LPBF Al–Li alloys and its improvement measures while also prospecting future research work.

A neural-network potential for aluminum

Aluminum and its alloys are most often used as structural materials due to their specific properties, such as low weight, low energy consumption for remelting and the possibility of almost complete processing. This paper utilizes machine learning, specifically the Behler-Parrinello neural network scheme, to develop a powerful potential for studying the underlying mechanisms of deformation, fracture, and defect formation. By surpassing the limitations of first principles calculations, the application of machine-learned potentials (MLP) becomes highly advantageous for describing pure aluminum (Al) in its solid and liquid phases. Specifically, from the generated potential equilibrium, thermodynamic, elastic, and vibrational properties of face-centered cubic (fcc) Al are obtained in very good agreement especially with density functional theory (DFT) results as well as with previous calculations using existing semi-empirical potentials, such as EAM and MEAM, recent machine-learned potentials, and experimental data. Furthermore, our potential proves to accurately reproduce defect formation energies such as previously computed and measured stacking-fault energy curves. Finally, stacking fault profiles as well as key quantities of the liquid phase such as the melting point at ambient pressure, temperature-dependent densities, and radial distribution functions are also calculated in very good agreement with the results from previous theoretical and experimental investigations. Nevertheless, our investigation goes beyond previous studies in proving excellent agreement with experimental data especially of the specific heat and the melting point at very high pressures. The competitive analysis performed in this work thus clearly demonstrates the validity and accuracy of the generated machine-learned potential to describe a wide range of properties of Al at various temperatures and pressures and thereby lays ground for future applications.

P‐265: Tailoring SS of a‐IGZO TFT through Defect Formation Mechanism during PEALD Deposition Sequences

We reported the fabrication of indium‐gallium‐zinc oxide (IGZO) thin‐film transistors (TFTs) by plasma‐enhanced atomic‐layer‐deposition (PEALD) process using different surface reactivities of the precursor‐substrate combinations with controlled deposition sequences. In‐Zn‐Ga (Case II) exhibited favorable subthreshold swing (SS) values of 313 mV/decade, and moderate mobility (µFE) of 29.3 cm2/Vs compared to In‐Ga‐Zn (Case I) (84 mV/decade and 33.4 cm2/Vs).

Processing parameter effect, formation mechanism and inhibition method of micro-hole exit defects in rotary ultrasonic pecking drilling of SiCf/SiC composites

High brittleness and anisotropy of ceramic matrix composites lead to great challenges for micro-hole machining. Micro-holes with large depth-to-diameter ratio (10:1) of SiCf/SiC composites were machined by rotary ultrasonic pecking drilling process. Based on the mechanical theory and structural characteristics of SiCf/SiC, a critical thrust force model was established. The effects of processing parameters on machining accuracy and machining quality of micro-hole exits were analyzed and parameters were optimized. The formation mechanism of exit defects includes interfacial debonding, fiber bending and matrix fracture. A method based on the surface morphology to inhibit exit defects by increasing the support stiffness of the material was proposed, under which the exit roundness all reached IT8 level and chipping factors decreased by 53 %–67 %, and only a small amount of chipping and micro-cracks was at the exit. The proactive control of micro-hole exit defects was realized, and a better machining quality was obtained.

Formation mechanism and elimination method of joint defects in lattice structures printed by metal droplet deposition manufacturing

Benefiting from the dense inner microstructure and smooth bead-like surface morphology, metal droplet deposition manufacturing (MDDM) is advantageous in manufacturing small metallic lattice structures, which have great potential in advanced aerospace, energy, and robotics applications. However, the improper top-layer droplet distance leads to joint defects in the printed lattices and deteriorates the forming accuracy. Moreover, if the substrate temperature and inclined angle increase, joint defects may occur even if the top-layer droplets are at an ideal distance due to droplet oscillation. This work proposes a novel method to eliminate joint defects by re-placing the joint region droplets to an ideal center distance. To this end, the dynamics of top-layer droplets (impact, spread, recoil, and oscillation) were investigated by combining morphology analysis and high-speed photography (Ts = 673 K, θ = 45°). A theoretical model was established to obtain the parameter range of defect-free joints through a series of bifurcate lattice printing experiments. Then, the morphology and generation mechanism of cumulative joint defects in the lattices at higher temperatures and angles (Ts = 773 K, θ = 60°) were analyzed. A parameter window of joint morphology with different values of inclined angle, substrate temperature, and top-layer droplet distance was established for predicting potential defects in the printing trace. Next, a novel method was proposed to remove redundant droplets and re-place top-layer droplet coordinates into the ideal center distance. Furthermore, the printing strategy was expanded to multi-truss lattices using three-dimensional transformation matrixes. Finally, multiple cells bifurcate, triangular, and pyramid lattices were successfully printed with perfect joints. The height deviation of joint regions is <5 % of the droplet diameter, verifying the feasibility of the proposed strategy. This work represents a further step towards MDDM printing of high-quality truss lattice structures and other complex 3D architectures.

A reactive neural network framework for water-loaded acidic zeolites

Under operating conditions, the dynamics of water and ions confined within protonic aluminosilicate zeolite micropores are responsible for many of their properties, including hydrothermal stability, acidity and catalytic activity. However, due to high computational cost, operando studies of acidic zeolites are currently rare and limited to specific cases and simplified models. In this work, we have developed a reactive neural network potential (NNP) attempting to cover the entire class of acidic zeolites, including the full range of experimentally relevant water concentrations and Si/Al ratios. This NNP has the potential to dramatically improve sampling, retaining the (meta)GGA DFT level accuracy, with the capacity for discovery of new chemistry, such as collective defect formation mechanisms at the zeolite surface. Furthermore, we exemplify how the NNP can be used as a basis for further extensions/improvements which include data-efficient adoption of higher-level (hybrid) references via Δ-learning and the acceleration of rare event sampling via automatic construction of collective variables. These developments represent a significant step towards accurate simulations of realistic catalysts under operando conditions.

Numerical and experimental analysis of edge wave defect control during TA2 circular tube cold roll forming

AbstractThe increasing application of TA2 titanium profiles in marine and petrochemical industries has spurred in a growing demand for diverse forms, including U‐shaped, rectangular, and tubular thin‐walled profiles. Traditional methods like mechanical subtractive processing and extrusion, despite their prevalence, suffer from high production costs and low efficiency. As a metal sheet forming technology, roll forming stands out for its efficiency, accuracy, and capability of producing complex shapes continuously. Nevertheless, the application of cold rolling to TA2 profiles is challenging primarily due to its low elastic modulus and high yield strength. In view of this, this study employed finite element simulation to analyze the stress and strain distribution during the TA2 roll forming process, aiming to have a better understanding of edge wave defect formation mechanism. Orthogonal experiments were performed to assess the influence of frame spacing, forming speed, roll gap, and downhill amount, on edge wave defects. The findings revealed a predominant influence of the downhill amount. Maintaining the downhill volume at 0.6 times the tube diameter kept the longitudinal strain below 0.9%, effectively mitigating edge wave defects. Implementation of these optimized parameters in an actual TA2 roll forming process confirmed the reliability of the simulations. This study establishes a solid foundation for advancing the TA2 tube cold roll forming process, enhancing the production efficiency of titanium profiles, and shedding some light on current energy conservation and emission reduction.

Microstructure, solidification defects and mechanical properties of high-modulus and high-strength SiC/AlSi10Mg composites fabricated by selective laser melting

Since the aluminum matrix composites prepared by additive manufacturing are prone to defects such as pores and cracks, the properties of the formed composites cannot be further improved. Therefore, the preparation of SiC/AlSi10Mg composites with high modulus and high strength by selective laser melting technology is of great significance for the wide application of aluminum matrix composites. This work will further investigate the defect formation, microstructure evolution, and solidification mechanism of the composites. The matrix microstructure of the composites can be efficiently refined by adding SiC. In addition, the 5 wt.% SiC/AlSi10Mg composites showed improvements in the tensile yield strength, microhardness, bending strength, elastic modulus, and ultimate tensile strength as compared to the AlSi10Mg alloy. These increases were 21.1 %, 18 %, 8.7 %, 23.2 % and 9.2 % respectively. The strengthening mechanisms at room temperature include fine grain strengthening, thermal mismatch strengthening, solid solution strengthening and precipitation strengthening. It is also mentioned that the primary causes of the decrease in toughness are stress concentration and the existence of the brittle precipitation phase (Al4C3). The increase in high-temperature strength is attributed to the pinning role of SiC and precipitate phases relative to grain boundary and dislocation climbing.

Interface investigations of 2A14Al/Nb explosively welded composites with 1060Al and Ag interlayers: Morphologies, grains, and mechanical properties

Explosive welding (EW) with an interlayer is considered a suitable technology for producing Al/Nb layered composite, but the fundamental process behaviors of this method remain insufficient discussion. Here, contrast EW experiments respectively using 1060Al and Ag sheets as the interlayers were carried out to prepare 2A14Al/Nb composites, and the complex interfacial phenomena and the underlying mechanisms were thoroughly examined by advanced characterizations and theoretical analyses. The microstructure results indicated that the interlayer materials had significant influence on the bonding morphologies, but the defects of the two composites shared the same geometry and distribution characteristics. Combining the microstructures and thermodynamic history, the formation mechanisms of the different defects were revealed. The 2A14Al/Ag/Nb and 2A14Al/1060Al/Nb composites had the advantages of no intermetallic compounds and few defects, respectively, but the latter showed a higher bond strength, suggesting that the geometric defects had more negative effects on mechanical properties than intermetallic compounds. The multi-view EBSD data provided insights into the intricate grain evolutions induced by the EW process, including equiaxed 2A14Al grains and columnar 1060Al grains at the 2A14Al/1060Al interface, and nanoscale Al3Nb grains at the 1060Al/Nb interface. Finally, the correlations between the grain structures and mechanical properties were established by nanoindentation tests.

Reliability evaluation of spacecraft power generation performance with competitive failure processes under irradiation

AbstractThe performance of space power systems is crucial for space products as it determines the operational capabilities, endurance, and efficiency of satellites, spacecraft, and other extraterrestrial devices. Unlike reliability analysis in aerospace systems, studying spacecraft power generation performance requires consideration of both hardware and software aspects. Existing failure models do not fully capture the self‐recovery process of control programs. Therefore, this study presents an impact degradation model for space power systems that incorporates competitive failures under irradiation conditions. The model analyzes solar arrays and power controllers to derive a performance degradation model by considering the defect formation mechanism of amorphous semiconductor materials. Additionally, two shock types are defined based on redundancy backup in power controllers and scrubbing frequency in field‐programmable gate array (FPGA) units. Within the case analysis section, the research meticulously investigates and elucidates the correlation probabilities among varying proton irradiation doses, scrubbing frequencies, and the aforementioned shock types.

Laser additive manufacturing of TiB2-modified Cu15Ni8Sn/GH3230 heterogeneous materials: Processability, interfacial microstructure and mechanical performance

Cu/Ni heterogeneous materials integrate excellent thermal conductivity and high-temperature mechanical properties, enabling them to be widely used in the aerospace domain. Differences in the thermal and physical properties of the Cu and Ni materials, however, make them difficult to be processed using the laser powder bed fusion (LPBF) additive manufacturing process. This study systematically examines the effects of various LPBF process parameters on microstructure, element diffusion, bonding strength and microhardness at the Cu/Ni interface, as well as investigating the mechanisms of defect formation within Cu/Ni heterogeneous materials. The results indicate that a reasonable control of laser energy input (<100 J/mm3) facilitates the Cu/Ni components through strong interfacial metallurgical bonding without pore defect formation. Compared to single-material Cu alloy, the ultimate tensile strength (UTS) of the horizontally bonded Cu/Ni specimen increased by 55.25 %, without significant reductions in elongation. The vertically bonded Cu/Ni tensile specimen fractured in the middle of the Cu region rather than the interfacial region, indicating superb interfacial bonding strength. Another advantage lies in the enhancement of thermophysical properties, with a 109.5 % increase in thermal conductivity achieved in the LPBF-fabricated Cu/Ni heterogeneous materials compared to the single-material Ni alloy. Quasi-static compression experiments indicated that the Cu/Ni lattice structure could absorb more energy when compressed parallel to the build direction (BD), compared to being perpendicular to the BD. This study provides guidance for the design and manufacture of high-performance Cu/Ni heterogeneous components via LPBF.

Degradation Mechanisms of Electrodes Promotes Direct Regeneration of Spent Li-Ion Batteries: A Review.

The rapid growth of electric vehicle use is expected to cause a significant environmental problem in the next few years due to the large number of spent lithium-ion batteries (LIBs). Recycling spent LIBs will not only alleviate the environmental problems but also address the challenge of limited natural resources shortages. While several hydro- and pyrometallurgical processes are developed for recycling different components of spent batteries, direct regeneration presents clear environmental, and economic advantages. The principle of the direct regeneration approach is restoring the electrochemical performance by healing the defective structure of the spent materials. Thus, the development of direct regeneration technology largely depends on the formation mechanism of defects in spent LIBs. This review systematically details the degradation mechanisms and types of defects found in diverse cathode materials, graphite anodes, and current collectors during the battery's lifecycle. Building on this understanding, principles and methodologies for directly rejuvenating materials within spent LIBs are outlined. Also the main challenges and solutions for the large-scale direct regeneration of spent LIBs are proposed. Furthermore, this review aims to pave the way for the direct regeneration of materials in discarded lithium-ion batteries by offering a theoretical foundation and practical guidance.

Investigation on the formation mechanism of collapse defects, microstructural evolution and mechanical properties in full penetration laser welding of thick-section steel

In this paper, we described full penetration laser welding (FPLW), a process capable of achieving single-pass welding of thick-section steel. This work summarized a welding process window encompassing various typical formations, including those well-formed and collapse defects. Furthermore, collapse defects were categorized as “collapse formation with backside humping” and “collapse formation with underfill”. High-speed camera (HSC) images reveal that the formation mechanisms of these two defects are attributed to the accumulation of liquid metal at the rear edge of the bottom molten pool and the ejection of a large amount of liquid metal from the weld in a spatter form, respectively. A computational fluid dynamics (CFD) numerical simulation model well-aligned with the experimental results has been established. The analysis of the molten pool flow behavior and keyhole evolution revealed that during well-formed welding, the keyhole status in the welding process exhibits a periodic closure-collapse mode. This periodic mode can instantaneously release the pressure at the bottom of the keyhole, inhibiting the excessive accumulation of liquid metal at the bottom of the weld and thus inhibiting the formation of collapse defects. The cooling rate in the upper part of the weld exceeds that in the middle and lower parts, primarily resulting in the formation of fine acicular ferrite and martensite. The increased tensile strength exhibited by the welded joint relative to the base material predominantly emanates from the mechanisms of grain boundary reinforcement and dislocation strengthening, precisely caused by the refined microstructure.

Characterization and formation mechanism of short step-bunching defects on 4H-SiC thick homoepitaxial films

Short Step-Bunching (SSB) are a kind of linear defects consisting of convex and concave undulations on the surface of 4H-SiC homoepitaxial layer. In this work, we report the characterizations of SSBs on 12 μm, 50 μm and 85 μm thick SiC epilayers by using optical microscopy (OM), micro-photoluminescence spectra (PL), atomic force microscopy (AFM), chemical mechanical polishing (CMP), molten KOH etching (10 min, 500 ℃) and high resolution transmission electron microscope (HRTEM). It is found that these SSBs are 200 ∼ 250 μm long, perpendicular to the step-flow [11–20] direction, leading to local rugged surfaces of epilayer. No other poly-types are identified on and around these SSBs. H2 etching the substrate reveals the existence of short-line defects on the substrate with one or more dislocations (TSD or TED) or an amorphous bump locating in center of most of them. Presumably, the amorphous bump was a kind of carbon inclusion. Based on the above results, we proposed that the SSBs develop from the short-line defects generated when etching the substrates prior to epilayer growth. Elimination of short-line defects by proper etching process is an effective route to reducing the SSBs in 4H-SiC homoepitaxial layers.

Room Temperature Crystallized Phase-Pure α-FAPbI3 Perovskite with In-Situ Grain-Boundary Passivation.

Energy loss in perovskite grain boundaries (GBs) is a primary limitation toward high-efficiency perovskite solar cells (PSCs). Two critical strategies to address this issue are high-quality crystallization and passivation of GBs. However, the established methods are generally carried out discretely due to the complicated mechanisms of grain growth and defect formation. In this study, a combined method is proposed by introducing 3,4,5-Trifluoroaniline iodide (TFAI) into the perovskite precursor. The TFAI triggers the union of nano-sized colloids into microclusters and facilitates the complete phase transition of α-FAPbI3 at room temperature. The controlled chemical reactivity and strong steric hindrance effect enable the fixed location of TFAI and suppress defects at GBs. This combination of well-crystallized perovskite grains and effectively passivated GBs leads to an improvement in the open circuit voltage (Voc) of PSCs from 1.08V to 1.17V, which is one of the highest recorded Voc without interface modification. The TFAI-incorporated device achieved a champion PCE of 24.81%. The device maintained a steady power output near its maximum power output point, showing almost no decay over 280h testing without pre-processing.