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We study the effects of uniaxial pressure on the thermal conductivity between two nanoparticles using atomistic simulation. While the system is compressed, we analyze the evolution of contact area, the relative density, and the dislocation density. Lattice thermal conductivity is calculated by non-equilibrium molecular dynamics simulations at several stages of the compression. Despite the increment of dislocation defects, thermal conductivity increases with pressure due to the increase in relative density and contact radius. The behavior of the contact radius is compared with the Johnson–Kendall–Roberts (JKR) model. While there is good agreement at low strain, after significant plasticity, signaled by the emission of dislocations from the contact region, the discrepancy with JKR grows larger with the dislocation density. The results for thermal conductivity show good agreement with previous studies at zero strain, and a theoretical model is used to accurately explain its behavior vs strain-dependent contact radius. Both the Kapitza resistance and thermal resistance decrease with strain but with very different evolution. Simulations of a bulk sample under uniaxial strain were also carried out, allowing for a clear distinction between the role of compressive stress, which increases the conductivity, vs the role of dislocations, which decrease the conductivity. For the NP system, there is the additional role of contact area, which increases with stress and also modifies conductivity. An analytical model with a single free parameter allows for a description of all these effects and matches both our bulk and NP simulation results. [ABSTRACT FROM AUTHOR]

The detailed study of the effect of the initial microstructure on its evolution under hydrostatic compression before, during, and after the irreversible α → ω phase transformation and during pressure release in Zr using in situ x-ray diffraction is presented. Two samples were studied: one is plastically pre-deformed Zr with saturated hardness and the other is annealed. Phase transformation α → ω initiates at lower pressure for a pre-deformed sample but for a volume fraction of ω Zr, c > --> 0.7 , a larger volume fraction is observed for the annealed sample. This implies that the proportionality between the athermal resistance to the transformation and the yield strength in the continuum phase transformation theory is invalid; an advanced version of the theory is outlined. Phenomenological plasticity theory under hydrostatic loading is outlined in terms of microstructural parameters, and plastic strain is estimated. During transformation, the first rule is suggested, i.e., the average domain size, microstrain, and dislocation density in ω Zr for c < 0.8 are functions of the volume fraction, c of ω Zr only, which are independent of the plastic strain tensor prior to transformation and pressure. The microstructure is not inherited during phase transformation. Surprisingly, for the annealed sample, the final dislocation density and the average microstrain after pressure release in the ω phase are larger than for the severely pre-deformed sample. The results suggest that an extended experimental basis is required for the predictive models for the combined pressure-induced phase transformations and microstructure evolutions. [ABSTRACT FROM AUTHOR]

One of the most important issues related to the strength of metals is the strain rate sensitivity of the flow stress. In this study, an analytical model of the flow stress as a function of strain rate is derived theoretically. The model can reproduce the strain rate sensitivity of the flow stress of copper over a wide range of strain rates (up to 109 s−1) quantitatively. Our theoretical derivations indicate that the strain rate sensitivity of the flow stress, especially that above 103 s−1, is a result of both the variation of the dislocation mobility mechanism with stress and the particular stress dependence of dislocation density but is not a result of each single mechanism. In particular, the stress dependence of the dislocation density and the initial dislocation density are critical to the quantitative relation of the flow stress–strain rate at high strain rate and the strain rate threshold, under which the upturn of the flow stress occurs, respectively. Moreover, experiments with copper of different initial dislocation densities at moderate and high strain rate are performed. The strain rate threshold of the flow stress upturn observed in the experiments grows considerably as initial dislocation density increases, which is in accordance with theoretical prediction by our model. [ABSTRACT FROM AUTHOR]

Recently, high entropy alloy (HEA) has become a research hotspot as a new candidate structural material in nuclear reactors due to its good irradiation resistance in swelling and hardening. Focusing on the temperature effect of irradiation damage, this work investigated the influence of irradiation temperature on dislocation evolution and irradiation hardening of HEAs. CoCrFeMnNi HEA was irradiated by high-energy Fe ions at room temperature and 500 °C. It was found that dense small dislocations were produced in the damage attenuation region (i.e., the tail of the ion range) of HEAs after irradiation at room temperature, whereas the irradiation-induced dislocations could not be observed in the damage attenuation region when the irradiation temperature was increased to 500 °C. For the small-sized dislocations, dissociation may occur more easily than long-range migration in HEAs (such as CoCrFeNi systems) due to the inhibition of defect migration and the decrease in defect binding energy, and this order is reversed in pure metals (such as Ni, W). Therefore, at 500 °C irradiation, small dislocations in the damage attenuation region of CoCrFeMnNi HEAs were dissociated before migrating to deeper regions, thereby resulting in the depth of dislocation distribution smaller than the stopping and range of ions in matter-calculated damage stopping depth, unlike the phenomenon in pure metals where dislocations migrated to regions exceeding the calculated depth. In addition, the dislocation density of CoCrFeMnNi HEAs decreased significantly due to the promotion of dissociation and merging of dislocations by elevated temperatures, and the hardening after 500 °C irradiation was less than that after room temperature irradiation. [ABSTRACT FROM AUTHOR]

Recently, deep-ultraviolet (DUV) light-emitting devices have attracted attention for various applications. GaN/AlN superlattices have emerged as a promising alternative for achieving high-efficiency DUV emission. To fabricate superlattices with high crystal quality and abrupt interfaces, we have utilized face-to-face-annealed sputter-deposited AlN template substrates characterized by a flat surface and low dislocation density. Furthermore, radio-frequency plasma-assisted molecular beam epitaxy with in situ reflection high-energy electron diffraction monitoring was employed for the growth process. The growth of the superlattices follows a specific sequence. Step 1: AlN growth, Step 2: conversion of Al droplets to AlN, Step 3: GaN growth, and Step 4: evaporation of Ga droplets. This study explored the impact of GaN thickness on the GaN/AlN superlattice. The GaN thickness was linearly controlled by changing the duration of Step 3. This approach allowed for the growth of a flat GaN layer up to 1 monolayer (ML) and achieved superlattices with abrupt interfaces. Single-peak cathodoluminescence (CL) emission at 240–245 nm was observed from the superlattices, with the peak shift toward longer wavelengths as the GaN thickness increased. In contrast, quantum dot-like GaN islands were generated with a thickness of over 1 ML, induced by compressive strain. Superlattices with thicker GaN exhibited broad CL emission with multiple peaks. However, the AlN barrier layer reduced the surface roughness and maintained abrupt interfaces within the superlattices. Therefore, to obtain sharp single-peak UV emission from GaN/AlN superlattices, the growth sequence should be controlled to obtain flat GaN layers without dots. [ABSTRACT FROM AUTHOR]

Distributed Bragg reflectors (DBRs) based on alternating layers of porous and non-porous GaN have previously been fabricated at the wafer-scale in heteroepitaxial GaN layers grown on sapphire substrates. Porosification is achieved via the electrochemical etching of highly Si-doped layers, and the etchant accesses the n+-GaN layers through nanoscale channels arising at threading dislocations that are ubiquitous in the heteroepitaxial growth process. Here, we show that the same process applies to GaN multilayer structures grown on silicon substrates. The reflectance of the resulting DBRs depends on the voltage at which the porosification process is carried out. Etching at higher voltages yields higher porosities. However, while an increase in porosity is theoretically expected to lead to peak reflectance, in practice, the highest reflectance is achieved at a moderate etching voltage because etching at higher voltages leads to pore formation in the nominally non-porous layers, pore coarsening in the porous layers, and in the worst cases layer collapse. We also find that at the high threading dislocation densities present in these samples, not all dislocations participate in the etching process at low and moderate etching voltages. However, the number of dislocations involved in the process increases with etching voltage. [ABSTRACT FROM AUTHOR]

A fabrication technique for high-quality AlN templates using only metalorganic vapor phase epitaxy, which involves a tiny-pit AlN layer optimized by changing the growth temperature and V/III ratio, is proposed. Combining the tiny-pit AlN layer with the main AlN layer can be beneficial for achieving epitaxial lateral overgrowth and reducing threading dislocation density (TDD). According to transmission electron microscopy observations, the TDD in the AlN layer on the tiny-pit layer was 7.3 × 109 cm–2, and the TDD was further reduced to 2.6 × 108 cm–2 by adopting multiple tiny-pit layers. Tiny voids were observed at the interface between the tiny-pit AlN and main AlN layers, and the radius of curvature of the AlN layer also increased compared with that for a conventional AlN template by reducing stress in the AlN layer. In addition, the N-polar AlN layer was grown using Al-polar tiny-pit AlN layers through polarity inversion on a sapphire substrate with an offcut angle of 2.0°. Consequently, it was found that the Al-polar tiny-pit AlN is highly effective in improving the crystalline quality of the N-polar AlN layer. The surface flatness of the N-polar AlN layer with the tiny-pit layer and polarity inversion retained the conventional N-polar AlN template. [ABSTRACT FROM AUTHOR]

We discuss the structure of threading dislocations in α-Ga2O3 thin films grown on c- and m-plane sapphire substrates. The thickness-dependent threading dislocation density in both films directly affects the electrical properties of the films including carrier concentration and mobility. Two distinct types of threading dislocations are identified for each of the c- and m-plane α-Ga2O3 thin films. The c-plane α-Ga2O3 thin film shows Burgers vectors of 1 / 3 [ 1 1 ¯ 01 ] and 1 / 3 [ 11 2 ¯ 0 ] , while the m-plane α-Ga2O3 thin film displays Burgers vectors of 1 / 3 [ 2 1 ¯ 1 ¯ 0 ] and 1 / 3 [ 1 1 ¯ 01 ]. This paper presents a detailed structure of the threading dislocations in α-Ga2O3, which has been little disclosed thus far mainly due to the difficulty in synthesizing the metastable α-Ga2O3. [ABSTRACT FROM AUTHOR]

Relaxed Si1−xGex layers on Si(001) serve as virtual substrates for strained Si or Ge layers. However, plastically relaxed layers inevitably contain misfit and threading dislocations, negatively affecting devices. Deposition of a SiGe layer on the backside of the substrate introduces a dislocation reservoir at the wafer edge that can reduce the threading dislocation density (TDD) of Si0.98Ge0.02/Si layers, as these preexisting dislocations start gliding toward the wafer center upon reaching the critical thickness. Here, we show that this low-strain system can be used effectively to study dislocation glide kinetics. In agreement with the literature, dislocation glide is a thermally activated process with an activation energy of 2.12–2.16 eV. Near the critical thickness, relaxation is sluggish and inefficient due to the linear dependence of the glide velocity on excess stress. At lower growth rates, dislocations from the edge reservoir are activated in a lower density due to the increase in the critical thickness through partial strain relaxation by already activated dislocations. Contrary to common models, here, the lowest possible growth rate is not essential for minimizing the TDD. Instead, a careful balance between low and high growth rates is beneficial. Overcoming the initial sluggish and inefficient relaxation phase is critical while also avoiding accumulation of strain energy, and, therefore, the activation of dislocation sources. Only in a later stage of buffer growth, the growth rate should be reduced to a minimum. With this method, the TDD of strain relaxed Si0.84Ge0.16 layers is reduced to 7 × 104 cm−2. [ABSTRACT FROM AUTHOR]

Applying graphene (Gr) coatings to high-entropy alloys (HEA) is anticipated to enhance their tribological characteristics. The current understanding of the mechanism by which the Gr/HEA is enhanced at the atomic level is still limited. Molecular dynamics simulations revealed the mechanical behavior and strengthening mechanism of the Gr/AlCoCrFeNi HEA during nanoindentation and nanoscratch. The results demonstrate a substantial increase in the indentation hardness of the Gr/AlCoCrFeNi HEA by about 2.4 times. When Gr changed from a single layer to three layers, it further improved (3.2 times for a double layer and 3.9 times for three layers). At the same time, the friction coefficient is effectively reduced. Furthermore, the elevated in-plane stiffness of the Gr coating leads to an expansion of the effective loading area, resulting in increased Shockley dislocation and stair-rod dislocation density within the Gr/AlCoCrFeNi HEA, thereby amplifying the strain hardening effect and reducing subsurface damage. Qualitative experiments confirmed the excellent wear resistance of the Gr/HEA, and coating Gr increased the width of scratches, effectively confirming our simulation results. These findings provide valuable insights for the development and design of Gr/HEA composite coatings with enhanced mechanical properties. [ABSTRACT FROM AUTHOR]

The Taylor–Quinney coefficient (TQC) stands as a critical parameter intricately linked to the thermomechanical coupling plastic deformation behavior, defined as the ratio of heat generation to plastic work. Combining experimental studies and atomistic simulations, the TQC is discussed in the context of three CoCrNi-based chemically complex medium/high-entropy alloys (CoCrNi, CoCrNiFe, and CoCrNiFeMn). Notably, the obtained TQC of these alloys hovers around 0.7, well below the generally assumed value of 0.9–1 in traditional metals associated with adiabatic shearing. The lower TQC implies that these alloys possess the much better capability of storing energy of cold-work. It is further found that immobile dislocations are the most effective carriers for storing the energy of cold-work. Among these three alloys, CoCrNiFeMn exhibits the highest TQC due to its relatively lower density of immobile dislocations and Lomer–Cottrell locks. [ABSTRACT FROM AUTHOR]

We simulate an alloy of HfNbTaTi mixed in six different proportions and also of the equiatomic system under uniaxial tensile loading at 300 K. Molecular dynamics simulation trajectories are analyzed using radial distribution functions, OVITO, bond-orientational order parameters, and coordination numbers. Equiatomic and the two other alloys (Hf 0.31 Nb 0.23 Ta 0.23 Ti 0.23 and Hf 0.23 Nb 0.31 Ta 0.23 Ti 0.23 ) containing comparable fraction of elements deform similarly through the formation of an amorphous state. Two alloys rich in Nb (Hf 0.17 Nb 0.50 Ta 0.16 Ti 0.17 ) and Ta (Hf 0.17 Nb 0.16 Ta 0.50 Ti 0.17 ) deform similarly resulting in the formation of bcc atoms, which transform to fcc at higher loading. Finally, alloys rich in Hf (Hf 0.50 Nb 0.16 Ta 0.17 Ti 0.17 ) and Ti (Hf 0.17 Nb 0.16 Ta 0.17 Ti 0.50 ) deform resulting in high dislocation densities and hcp atoms. These two hcp-rich alloys also undergo strain hardening. In each mixture during loading, local orientational order of all the different elements changes similarly. Atoms prefer to pair with other atoms than to themselves during tensile loading. [ABSTRACT FROM AUTHOR]

Numerical simulations of the evolution of mobile and immobile dislocations in ceramics under applied pressure in dry pressing at a relatively low temperature are performed in order to study the possibility of production of all-dislocation-ceramics of solid electrolytes, which are expected to have extremely high ionic conductivity without dendrite formation because the diameter of a dislocation pipe is considerably larger than the distance between neighboring dislocations. The present numerical simulations are only for the densification process by plastic deformation of grains under high pressure under the assumption that the compaction of particles by their rearrangement is completed beforehand. By the plastic deformation, new dislocations are generated inside the grains. The required total dislocation density of about 1017 m−2 seems to be achievable under some conditions of dry pressing according to the present numerical simulations. Very short ultrasound irradiation at the beginning of the dry pressing sometimes considerably increases the dislocation density, while for other cases, it even considerably decreases the dislocation density due to enhanced annihilation of mobile dislocations by ultrasound. [ABSTRACT FROM AUTHOR]

Extending the storage-recovery model, we propose a new strengthening model, premised on detailed evolution laws for both mobile and immobile dislocations, for metals under moderate to intense loading. These dislocation density evolution laws include the multiplication, storage under the effect of dislocation junctions, release of pinned dislocations, and annihilation by cross-slip. The storage-release description is derived from a simplified depiction of the probability distribution function of the dislocation length in dislocation networks. Although the model requires only few parameters to characterize the evolution of dislocation densities, remarkable agreement is found with available experimental data. From a theoretical study of the long-time behavior of the model, analytical expressions are provided to easily extract most of these parameters from experimental stress–strain curves in the quasi-static regime, whereas the parameter that governs the strength of the release process is adjusted from dynamic tensile tests. Their values so determined for polycrystalline tantalum allow the model to reproduce experimental plate-impact data with a very good match. [ABSTRACT FROM AUTHOR]

Annealing Mg-implanted homoepitaxial GaN at temperatures above 1400 °C eliminates the formation of inversion domains and leads to improved dopant activation efficiency. Extended defects, in the form of inversion domains, contain electrically inactive Mg after post-implantation annealing at temperatures as high as 1300 °C (one GPa N2 overpressure), which results in a low dopant activation efficiency. Triple-axis x-ray data reveal that implant-induced strain is fully relieved after annealing at 1300 °C for 10 min, indicating that strain-inducing point defects formed during implantation have reconfigured and inversion domains are formed. However, annealing at temperatures of 1400–1500 °C (one GPa N2 overpressure) eliminates the presence of the inversion domains. While residual defects, such as dislocation loops, still exist after annealing at and above 1400 °C, chemical analysis at multiple dislocation loops shows no sign of Mg segregation. Meanwhile, an overall decreasing trend in the dislocation loop density is observed after annealing at the higher temperatures and longer times. Additionally, once inversion domains are formed and the samples are cooled to room temperature, they are shown to dissolve with subsequent annealing above 1400 °C. While such defects have been observed before, the important finding that such defects can be dissolved with a short, higher temperature step is key. Earlier work [Breckenridge et al., J. Appl. Phys. Lett. 118, 022101 (2021)] addressing electrical measurements of these types of samples showed that annealing at 1400 °C leads to a dopant activation efficiency that is an order of magnitude higher than that observed at 1300 °C. This work complements earlier work by identifying the inversion domains, which incorporate Mg, and points to the benefits, in terms of defect density and p-type dopant activation, of using higher temperature (>1400 °C) annealing cycles to activate Mg in GaN, even if the Mg-containing inversion domains had been formed during lower temperature annealing. [ABSTRACT FROM AUTHOR]

Three sets of heteroepitaxial diamond crystals grown under nominally identical process conditions on Ir/YSZ/Si(001) substrates have been studied with respect to structural defects, chemical purity, and x-ray induced photoconductivity (PC). The dislocation density that varied systematically between 10 7 and 10 9 cm − 2 had a minor influence on dark conductivity and photoconductive gain G. In contrast, the substitutional nitrogen (N N ) and substitutional boron (N B ) defects, which are both present at very low concentrations (≤ 1 ppb), turned out to be the crucial factors controlling the electrical behavior. Small differences between both resulted in variations of the photocurrents by up to 5 orders of magnitude. The maximum in G of 0.75 × 10 4 was measured in the sample with highest dark conductivity. It could be explained conclusively within our model calculations on gain formation by N N ≤ N B . For low gain samples, we found N N > --> N B . However, the measured G values were far from theoretical predictions. This indicates a dominating role of additional traps. After x-ray switch-off, persistent photoconductivity (PPC) was observed in high gain samples. It was attributed to an energetic barrier hampering the recharging of nitrogen atoms by hole capture. As a possible source, strain fields generated by dislocations are suggested. [ABSTRACT FROM AUTHOR]

In this study, we investigate the diffusion of Si donors in AlN. Amorphous S i 1 − x N x sputtered on the surface of bulk AlN with low dislocation density is used as a Si source. The diffusion experiments are conducted through isochronal and isothermal annealing in a protective N2 atmosphere at temperatures between 1500 and 1700 °C. The Si depth profiles measured by secondary ion mass spectrometry exhibit a convex box-like shape with a steep diffusion front. These concentration profiles are best described with a diffusion coefficient that depends on the square of local Si concentration. From the characteristic box-shaped Si profiles, we conclude that diffusion of Si in AlN is mediated by singly negatively charged dopant–vacancy pairs S i Al V Al −. The strong concentration dependence of Si diffusion is due to the electric field associated with the incorporation of Si donors ( Si Al + 1 ) on substitutional Al lattice sites and reflects that Si is fully electrically active at diffusion temperature. The experimentally obtained extrinsic Si diffusion coefficient is reduced to intrinsic doping conditions. The temperature dependence of Si diffusion for intrinsic conditions is described by an activation enthalpy of (10.34 ± 0.32) eV and a pre-exponential factor of 235 − 203 + 1485 c m 2 s − 1 . The migration enthalpy of the donor–vacancy pair S i Al V Al − is estimated to be around 3.5 eV. This estimation is based on the activation enthalpy of the transport capacity of S i Al V Al − and theoretical results concerning the formation energy of negatively charged vacancies on Al-sites in AlN. [ABSTRACT FROM AUTHOR]

A laboratory‐scale hot‐rolled Ti–Mo–V–Nb steel with 1 GPa tensile strength is produced, and its microstructure and tensile properties are characterized using advanced analysis techniques and uniaxial tensile testing. A Gleeble 3800 thermomechanical simulator is used to determine a process window for the thermomechanical controlled processing (TMCP) procedure. Although the simulated TMCP specimens are fully ferritic at coiling temperatures (CT) of 590 and 630 °C, the bainitic and mixed (bainitic + ferritic) microstructure is formed in the hot‐rolled steels. The variation in the microstructure causes variations in the dislocation density through the sheet thickness, which significantly reduces the steel's ductility properties, whereas a 16% elongation is achieved with the fully bainitic microstructure. Another significant difference between the simulated TMCP and hot‐rolled specimens is the precipitation behavior. No nanosized interphase‐precipitated (IP) carbides are formed in the hot‐rolled steel during the austenite‐to‐ferrite phase transformation, although the formation of the nanosized spherical IPs is observed within the polygonal ferrite grains of the simulated TMCP specimens at the CT of 630 °C. Relatively coarse (5–20 nm) spherical (V,Mo,Ti,Nb)C carbides do not strongly affect the tensile properties of the hot‐rolled Ti–Mo–V–Nb steel. The results show that the dislocation and grain boundary strengthening mainly contribute to the strength properties of this steel. [ABSTRACT FROM AUTHOR]

In this article, the homoepitaxial regrowth of AlGaN on AlGaN templates fabricated via chemical mechanical polishing (CMP) on periodically aligned AlN nanopillars is reported on. These templates are lattice relaxed according to X‐Ray diffraction reciprocal space mapping measurements, with a low dislocation density of ≈3 × 108 cm−2. However, the AlGaN surface has hillocks exceeding 104 cm−2. Contrastingly, no hillocks are observed on the homoepitaxially regrown AlGaN on the CMP–AlGaN template and after the UV‐B laser diode (LD) layer structure is crystallized and grown on the homoepitaxially regrown AlGaN. Furthermore, when this wafer is processed for LD fabrication, room‐temperature pulsed oscillation is confirmed in the UV‐B region at a wavelength of 296 nm. The turn‐on voltage and operating voltage also reduce by ≈2 V. [ABSTRACT FROM AUTHOR]

The effect of wet etching on the characteristics of ultraviolet‐B (UV‐B) lasers fabricated on AlGaN templates grown as crystals or wet‐etched AlN nanopillars is compared in detail. Specifically, a tetramethylammonium hydroxide (TMAH) solution is used to form templates with AlN nanopillars of different diameters, followed by determining the dependence of the dislocation density in AlGaN crystals grown on the templates, the threshold power density (Pth) of an optically pumped UV‐B laser, and the threshold current density (Jth) of a UV‐B laser diode (LD) on the extent of etching. It is observed that the pillar diameter decreases almost linearly as the etching time with the TMAH solution increases. The dislocation density of AlGaN crystals grown on AlGaN templates is almost independent of the etching time. Meanwhile, Pth of the optically pumped UV‐B laser is almost halved upon etching with TMAH. Finally, the Jth of the UV‐B LD tends to decrease by 10%–20% upon etching. The optical gain is estimated by optical excitation; wet etching of AlN nanopillars with TMAH solution results in a larger optical gain at the same excitation intensity, indicating that nonradiative recombination centers, such as point defects, are reduced. [ABSTRACT FROM AUTHOR]

ScAlMgO4 (SAM) substrates have attracted significant attention as template substrates for fabricating bulk GaN crystals. Radio‐frequency plasma‐assisted molecular beam epitaxy (RF‐MBE) is preferred for the growth of the first GaN layer. However, the metastable zincblende (ZB) phase is mixed on the SAM substrate with a smaller terrace width, coupled with lower growth temperatures in MBE. Herein, the time evolution of GaN growth on SAM substrates is investigated to elucidate the mechanism underlying ZB mixing. ZB‐GaN is generated as stacking faults during the coalescence of the initially grown wurtzite‐ (WZ‐) GaN islands on adjacent SAM terraces, owing to the extraordinarily large step height close to three bilayers of WZ‐GaN. Therefore, high‐temperature growth on a SAM substrate with wider terraces suppresses the generation of the ZB phase in the initial growth stage. ZB‐GaN also decreases with an increase in the growth time. Based on these results, a 940 nm‐thick GaN layer is grown at 750 °C on the SAM substrate with a terrace width of 820 nm. A pure WZ‐GaN layer from the GaN/SAM interface with a flat surface with a root mean square value of below 1 nm and a dislocation density of 7.3 × 109 cm−2 is obtained. [ABSTRACT FROM AUTHOR]

This article is aimed at understanding of the complex design of metalorganic chemical vapour deposition ‐grown InGaN‐based red light‐emitting diode (LED) structure. The contribution of different elements of red LED structure to the stress distribution and threading dislocation density (TDD) evolution is theoretically investigated. For this purpose a self‐consistent modeling of the structure growth process is used, taking into account stress‐modulated indium incorporation, mismatch stress relaxation by threading dislocations and V‐pits, and nucleation of new threading dislocations. The simulation results, consisting of composition, stress, and TDD profiles, are then utilized for modeling of device operation, which allows to analyze contribution of different elements to the heterostructure operation. [ABSTRACT FROM AUTHOR]

In this study, the effect of implementing island growth in an AlN/Al0.1Ga0.9N superlattice on the structural properties of vertical GaN‐on‐Si(111) PIN‐structures is investigated. It is demonstrated by scanning electron microscopy (SEM) and atomic force microscopy (AFM) that islands are formed on‐top of V‐pits present in the AlN nucleation layer and that the island coalescence height can be controlled by the growth temperature. Defect selective etching analyses confirm a noteworthy reduction in the threading dislocation density (TDD), which diminishes from 1.2 × 109 cm−2 ± 7.5 × 107 cm−2 to 8.5 × 108 cm−2 ± 7.3 ×107 cm−2 as the island coalescence height increases from ≈160 nm to ≈450 nm, achieved by increasing the growth temperature. Cross‐sectional transmission electron microscopy (TEM) shows that island growth is particularly favorable for the reduction of a‐type dislocations. As a consequence of the significant reduction of a‐type dislocations in the buffer, stress relaxation during the GaN film growth is reduced, which is supported by in situ wafer curvature measurements and high‐resolution X‐ray diffraction (XRD). Owing to the optimized island growth conditions, thick and crack‐free GaN layers on Si(111) substrates are obtained with an absolute wafer bow of <50 μm. [ABSTRACT FROM AUTHOR]

ScAlMgO4 (SAM) has attracted considerable attention as a substrate for growing InGaN template layers owing to its lattice matching with In0.17Ga0.83N. Furthermore, radio‐frequency plasma‐assisted molecular beam epitaxy (RF‐MBE) can be utilized to grow (In)GaN directly on SAM substrates because the growth is conducted at relatively low temperatures without reactive gases. This prevents the diffusion and desorption of the constituent elements of the SAM substrate. In this study, the substrate‐temperature dependence of the direct growth of InGaN on SAM substrates is investigated through RF‐MBE. In droplets are formed below 600 °C, whereas, the In content of the InGaN crystal decreases rapidly, and the surface roughness increases at ≈650 °C. These results are attributed to the acceleration of In desorption at higher temperatures. The improvement in crystal coherency moderates above 600 °C. Therefore, a nearly lattice‐matched In0.18Ga0.82N film is grown at an optimal temperature of 600 °C by adjusting the group‐III metal fluxes. The resulting film is continuous and relatively flat, with no droplets. The dislocation density with screw component is one order of magnitude lower than that of the lattice‐mismatched InGaN. The dislocation density of the InGaN film is comparable to that of a film grown by metal‐organic vapor‐phase epitaxy. [ABSTRACT FROM AUTHOR]

The development of processes for epitaxial growth of vertical gallium nitride (GaN) drift layers enabling 1.2 kV breakdown voltage on low‐cost sapphire substrates is presented in comparison to GaN bulk substrates. The targeted blocking capability demands drift layers with a thickness of 10 μm and low but controllable n‐type doping. Using a growth rate of 2.5 μm h−1 the concentration of unintentionally incorporated carbon is sufficiently low to adjust the n‐type carrier concentration to ≈1 × 1016 cm−3 for all types of substrates. To assess GaN drift region properties in terms of forward bias conductivity and reverse bias blocking strength, a quasi‐vertical p‐n‐diode structure is utilized. Bow reduction of GaN‐on‐sapphire structures is achieved using a stealth laser scribing process. Breakdown voltages higher than 1600 V and a specific on‐state resistance as low as 0.7 mΩ cm2 are obtained with diodes fabricated on GaN substrates. Similar structures grown on sapphire show breakdown voltages of about 1300 V due to higher levels of current leakage. Comparing different types of substrates, a direct correlation between dislocation density in the drift layer with the leakage current in p‐n diodes is deduced. [ABSTRACT FROM AUTHOR]

This paper deals with Barkhausen noise in Trip steel RAK 40/70+Z1000MBO subjected to uniaxial plastic straining under variable strain rates. Barkhausen noise is investigated especially with respect to microstructure alterations expressed in terms of phase composition and dislocation density. The effects of sample heating and the corresponding Taylor–Quinney coefficient are considered as well. Barkhausen noise of the tensile test is measured in situ as well as after unloading of the samples. In this way, the contribution of external and residual stresses on Barkhausen noise can be distinguished in the direction of tensile loading, as well as in the transversal direction. It was found that the in situ-measured Barkhausen noise grows in both directions as a result of tensile stresses and the realignment of domain walls. The post situ-measured Barkhausen noise drops down in the direction of tensile load due to the high opposition of dislocation density at the expense of the growing transversal direction due to the prevailing effect of the realignment of domain walls. The temperature of the sample remarkably grows along with the increasing strain rate which corresponds with the increasing Taylor–Quinney coefficient. However, this effect plays only a minor role, and the density of the lattice imperfection expressed especially in terms of dislocation density prevails. [ABSTRACT FROM AUTHOR]

In this study, isothermal annealing experiments were conducted on copper-nickel-silicon alloys containing continuous precipitates (CP) and discontinuous precipitates (DP) to investigate the effects of different types of precipitate phases on the microstructural evolution and softening temperature during annealing, as well as to analyze the differences in softening mechanisms. The experimental results revealed that the softening temperature of the CP alloy, subjected to 75% cold deformation, was 505 °C. In contrast, the DP alloy achieved softening temperatures of 575 °C and 515 °C after 75% and 97.5% cold deformation, respectively. This indicates that the DP alloy exhibits significantly superior softening resistance compared to the CP alloy, attributed to the distinct softening mechanisms of the two alloys. In the CP alloy, softening is primarily influenced by factors such as the coarsening of the precipitate phase, the occurrence of recrystallization, and the reduction in dislocation density. In the DP alloy, the balling phenomenon of the DP phase is more pronounced, and its unique microstructure exerts a stronger hindrance to dislocation and grain boundary motion. This hindrance effect reduces the extent of recrystallization and results in a smaller decrease in dislocation density. In summary, the DP alloy, due to its unique microstructure and softening mechanisms, demonstrates better softening resistance, providing higher durability and stability for high-temperature applications. [ABSTRACT FROM AUTHOR]

The use of a rapid heating method to achieve heterogeneity of Mn in medium-manganese steel and improve its comprehensive performance has been widely studied and these techniques have been widely applied. However, the heating rate (from α to γ) has not received sufficient attention with respect to its microstructure-evolution mechanism. In this study, the effect of heating rate on the microstructure evolution and hardness of heterogeneous medium-manganese steel was investigated by using X-ray diffraction (XRD), scanning electron microscopy (SEM), electron backscatter diffraction (EBSD), transmission electron microscopy (TEM) and DICTRA simulation. The results showed that the Mn distribution was heterogeneous in the initial microstructure of pearlite due to strong partitioning of Mn between ferrite and cementite. At low heating rates (<10 °C/s), the heterogeneity of Mn distribution was diminished to some extent due to the long-distance diffusion of Mn in high-temperature austenite. Contrastingly, at high heating rates, the initial heterogeneity of the Mn element could be largely preserved due to insufficient diffusion of Mn, which resulted in more ghost pearlite (GP: pearlite-like microstructure with film martensite/RA). Moreover, the high heating rate not only refines the prior austenite grain but also increases the total RA content, which is mainly composed of additional film RA. As the heating rate increases, the hardness gradually increases from 628.1 HV to 663.3 HV, due to grain refinement and increased dislocation density. Dynamic simulations have also demonstrated a strong correlation between this interesting microstructure and the non-equilibrium diffusion of Mn. [ABSTRACT FROM AUTHOR]

The evolution of microstructures and mechanical properties with tempering temperature of a novel 2.5 GPa grade ultra-high strength steel with synergistic precipitation strengthening was investigated. With increasing tempering temperature, the experimental steel initially progressed from ε-carbides to M3C and then to M2C, followed by further coarsening of the M2C carbides and β-NiAl. Concurrently, the martensite matrix gradually decomposed and austenitized. The ultimate tensile strength and yield strength initially increased and subsequently decreased with rising tempering temperature, reaching peak value at 460 and 470 °C, respectively. Conversely, the ductility and toughness initially decreased and then increased with rising tempering temperature, reaching a minimum at 440 °C. The increase in strength was attributed to the secondary hardening effects resulting from carbide evolution and the precipitation of β-NiAl. The subsequent decrease in strength was due to the recovery of martensite and coarsening of precipitates. The decrease in ductility and toughness was linked to the precipitation of M3C, while their subsequent increase was primarily attributed to the dissolution of M3C and an increase in the volume fraction of reverted austenite. The high dislocation density of martensite, the film of reverted austenite, nanoscale M2C carbides, and ultrafine β-NiAl obtained during tempering at 480 °C resulted in the optimal mechanical properties of the experimental steel. The strength contributions from M2C carbides and β-NiAl were 1081 and 597 MPa, respectively. [ABSTRACT FROM AUTHOR]

Directed energy deposition with laser beam (DED-LB) components experience significant residual stress due to rapid heating and cooling cycles. Excessive residual tensile stress can lead to cracking in the deposited sample, resulting in service failure. This study utilized digital image correlation (DIC) and thermal imaging to observe the in situ temporal evolution of strain and temperature gradients across all layers of a deposited 316 L stainless steel thin wall during DED-LB. Both continuous-wave (CW) and pulsed-wave (PW) laser modes were employed. Additionally, the characteristics of thermal cracks and geometric dislocation density were examined. The results reveal that PW mode generates a lower temperature gradient, which in turn reduces thermal strain. In CW mode, the temperature–stress relationship curve of the additive manufacturing sample enters the "brittleness temperature zone", leading to the formation of numerous hot cracks. In contrast, PW mode samples are almost free of cracks, as the metal avoids crack-sensitive regions during solidification, thereby minimizing hot crack formation. Overall, these factors collectively contribute to reduced residual stress and improved mechanical properties through the adjustment of pulsed-wave laser deposition. [ABSTRACT FROM AUTHOR]

This study investigates the mechanical behaviour of nanocrystalline Cu-Ag alloys using molecular dynamics simulations combined with detailed analyses of dislocation densities, atomic populations, and deformation characteristics. Shear tests were conducted across three different atomic compositions at temperatures ranging from 10 K to 500 K. The influence of temperature and Ag impurities on the mechanical properties of nanocrystalline Cu is explored. Elevated temperatures are found to promote plastic deformation by increasing atomic mobility, resulting in reduced dislocation densities and flow stresses. Increasing Ag content correlates with lower dislocation densities, highlighting enhanced plastic activity between grain and grain boundaries. Structural population analysis underscores the significant impact of Ag species on the mechanical response of nanocrystalline Cu. Further investigations are warranted to explore additional deformation mechanisms. These findings contribute to a deeper understanding of nanocrystalline Cu-Ag alloys, informing the design of novel materials with tailored mechanical properties. [ABSTRACT FROM AUTHOR]

An edge dislocation with a time-dependent Burgers vector in an orthotropic plane is analyzed. The stress field caused by a dynamic point force in the intact plane is determined. The displacement discontinuity of dislocation and direction of point load are at arbitrary angles with the Material Principal Axes (MPA), the general orthotropic plane. The density of dislocations is employed to construct integral equations for orthotropic planes weakened by several interacting cracks, making arbitrary angles with the MPA. The numerical solution of integral equations results in the density of dislocations on a crack surface. The results are employed to determine time-dependent Stress Intensity Factors (SIFs) at the tips of a crack and Crack Opening Displacement (COD). In the problem of general orthotropic planes containing cracks subjected to dynamic loads, crack orientations may cause their partial/total closing. Under the hypothesis of frictionless contact, we devise an iterative procedure to handle crack closing, as well. By contrast to cracks in the directions of MPA, expressions for the two modes of SIFs contain the density functions of both the climb and glide of the edge dislocation. Therefore, mode I SIF at an open tip of a crack may not be positive. Conversely, positive mode I SIF may occur at a closed crack tip. Numerical results of the SIFs and COD for several examples of orthotropic planes under dynamic point loads, while weakened by single and double parallel cracks, are presented. Moreover, in double cracks cases, the interaction between cracks is studied. [ABSTRACT FROM AUTHOR]

Molecular dynamics simulations are performed to investigate the mechanical behavior of nanotwinned NiCo-based alloys containing coherent L12 nano-precipitates at different temperatures, as well as the interactions between the dislocations and nano-precipitates within the nanotwins. The simulation results demonstrate that both the yield stress and flow stress in the nanotwinned NiCo-based alloys with nano-precipitates decrease as the temperature rises, because the higher temperatures lead to the generation of more defects during yielding and lower dislocation density during plastic deformation. Moreover, the coherent L12 phase exhibits excellent thermal stability, which enables the hinderance of dislocation motion at elevated temperatures via the wrapping and cutting mechanisms of dislocations. The synergistic effect of nanotwins and nano-precipitates results in more significant strengthening behavior in the nanotwinned NiCo-based alloys under high temperatures. In addition, the high-temperature mechanical behavior of nanotwinned NiCo-based alloys with nano-precipitates is sensitive to the size and volume fraction of the microstructures. These findings could be helpful for the design of nanotwins and nano-precipitates to improve the high-temperature mechanical properties of NiCo-based alloys. [ABSTRACT FROM AUTHOR]

Rotary swaging (RS) with mandrel was performed on aeroengine high-temperature alloy steel tubes at room temperature. Annealing experiments were conducted on both the non-RS and RS sections at various temperatures. The evolution of microstructure and mechanical properties was analyzed. Mechanical testing results revealed that RS resulted in a greater increase in yield strength compared to tensile strength, with a less pronounced recovery of yield strength enhancement after annealing. Annealing at 700 °C showed the most effective recovery of elongation. Microstructural observations showed shortening and coarsening of martensite packets and blocks after annealing, along with the evolution of precipitates. The higher dislocation density introduced by the RS process led to recovery during annealing and extensive recrystallization at 900 °C. Both annealing temperature and dislocations jointly influenced microstructure evolution and the work-hardening behavior. The thickness of shear layers induced by the RS process on the surface could be reduced after annealing and the elongated grains underwent recovery and recrystallization. This study provides a comprehensive investigation into the mechanisms of mechanical performance and microstructure evolution. It holds practical insights for applying the RS-annealing process to aeroengine high-temperature alloy steel tubes and for developing advanced processing routes for aeroengine shafts. [ABSTRACT FROM AUTHOR]

AlCoCrFeNiTi 0.5 +x(WC) high-entropy alloy (HEA) coatings with varying WC content (x = 0, 10, 20, and 30 wt%) were prepared by laser cladding. The results of the microstructure analysis showed that the AlCoCrFeNiTi 0.5 coating consisted of body-centered cubic (BCC1) and BCC2 phases, while additional TiC and W 2 C phases formed within the coating with the WC content reaching 20 wt% mol. The addition of WC particles acted as a barrier to grain growth, preventing grains from growing larger. Additionally, the in-situ TiC phase was distributed at the grain boundaries and further inhibited the grains growth. The grain refinement and increase in dislocation density jointly improved the ability of the coating to resist plastic deformation. Due to the addition of the WC particles, the micro-hardness and wear resistance of the coatings improved considerably. The AlCoCrFeNiTi 0.5 coating with 30 wt% WC exhibited the best performance. Its hardness increased by 35.8 % and wear rate decreased by 58.2 % compared with the AlCoCrFeNiTi 0.5 coating. [ABSTRACT FROM AUTHOR]

CuFe 2 O 4 cubic copper ferrite nanoparticles were synthesized by a new plasma method, the advantage of which is the short duration of processing and cost-effectiveness. To select optimal synthesis conditions, central compositional rotatable experimental planning was used. Using the methods of X-ray phase analysis, vibration magnetometry, electron microscopy, and UV spectroscopy, the sizes of crystallites, the intensity of peaks in X-ray diffraction patterns, dislocation density, saturation magnetization, coercive force, and the degree of degradation of 4-nitrophenol were determined. To study the effect of pH on the composition of the resulting copper ferrites, cyclic voltammetry was used. The kinetics of the ferritization process under the influence of a plasma discharge has also been studied. A mechanism for ferritization in the Cu2+-Fe2+-SO 4 2--OH- system has been proposed. It was found that single-phase nanodispersed powders of cubic copper ferrites with a saturation magnetization Ms 78–93 Emu/g can be obtained by plasma treatment at 300 s and pH 12. Copper ferrite with an admixture of Cu 2 O is formed at pH = 8. The maximum values of the coercive force correspond to regimes in which the minimum dislocation density is observed. The saturation magnetization depends on the crystallite size. The crystallite size of the resulting powders is in the range of 225–500 A. The results showed that the processing time is the parameter that has the greatest impact on the structural and magnetic characteristics of copper ferrite; the pH of the reaction medium affects them to a lesser extent. [ABSTRACT FROM AUTHOR]

This study explores a novel approach to quenching and partitioning (Q&P) heat treatment applied to AISI 9260 spring steel, comprising Fe-0.65C-1.58Mn-1.05Si-0.41Cr (wt.%). Our research focuses on balancing strength and ductility through optimized Q&P pathways, leading to a diverse microstructure that includes martensite, bainite, carbide, and retained austenite. Advanced X-ray diffraction and scanning electron microscopy techniques were employed to analyze the complexities of this microstructure. A key aspect of this study is the precise control of partitioning temperature and time, crucial for modulating lattice distortion and dislocation density within martensitic and bainitic structures. Optimal partitioning temperature promotes carbon distribution into austenite, tempering lattice distortions, and dislocation densities. Concurrently, carbide precipitation and segregation contribute to the refinement of the bainite phase. The sample quenched at 125 °C and partitioned at 350 °C (Q&P-125/350) demonstrates notable mechanical properties: a yield strength of 950 ± 15 MPa, an ultimate tensile strength of 1710 ± 15 MPa, and an elongation of approximately 9.7%. These results are partly attributed to the effect of silicon in preventing cementite coarsening and the effective distribution of carbide. Our findings highlight the potential of Q&P heat treatment in developing tailored microstructures with enhanced mechanical properties in steel, without relying on costly alloying elements. This approach presents new avenues for the design and application of high-performance materials. [ABSTRACT FROM AUTHOR]

We report room‐temperature bulk plasticity mediated by dislocations in single‐crystal cubic potassium tantalate oxide (KTaO3), contrasting the conventional knowledge that single‐crystal KTaO3 is susceptible to brittle fracture. A mechanics‐based combinatorial experimental approach using cyclic Brinell indentation, scratching, and uniaxial bulk compression consistently demonstrates room‐temperature dislocation plasticity in KTaO3 from the mesoscale to the macroscale. This approach also delivers tunable dislocation densities and plastic zone size. Scanning transmission electron microscopy analysis underpins the activated slip system to be <110> {11¯$\bar{1}$0}. Given the growing significance of KTaO3 as an emerging electronic oxide and the increasing interest in dislocations for tuning the physical properties of oxides, our findings are expected to trigger synergistic research interest in KTaO3 with tunable dislocation densities. [ABSTRACT FROM AUTHOR]

Mica is a promising substrate for flexible photonic applications because it can be fabricated using wafer‐scale multiple exfoliations. However, the large lattice mismatch between mica and III‐nitrides hinders their application in III‐nitride semiconductor devices. In this study, two types of light‐emitting diode (LED) epilayers, blue and green, are epitaxially fabricated on 2‐inch exfoliated mica substrates using sputtered AlN as a buffer layer to address the lattice mismatch. The LED epilayers on mica substrate exhibit excellent single‐crystalline quality with a low threading dislocation density of 2.07 × 109 cm−2 in the GaN region and smooth surface morphology with a root mean square (RMS) roughness of 0.58 nm in a 5 × 5 µm2 scanned area, demonstrating that mica is an excellent platform for III‐nitride semiconductors. Moreover, the structures are reproduced stably on multiple exfoliated mica at the wafer scale, which verified the reusability and reproducibility of III‐nitride/mica in terms of crystallinity, surface morphology, and transparency. Strong electroluminescence of the LED epilayers confirmed the potential of mica in electrically driven flexible opto‐electronics. Therefore, this results demonstrated the potential of mica substrates in III‐nitride semiconductors and provide a novel pathway for revolutionizing the fabrication of III‐nitride‐based flexible devices. [ABSTRACT FROM AUTHOR]

We report room‐temperature bulk plasticity mediated by dislocations in single‐crystal cubic potassium tantalate oxide (KTaO3), contrasting the conventional knowledge that single‐crystal KTaO3 is susceptible to brittle fracture. A mechanics‐based combinatorial experimental approach using cyclic Brinell indentation, scratching, and uniaxial bulk compression consistently demonstrates room‐temperature dislocation plasticity in KTaO3 from the mesoscale to the macroscale. This approach also delivers tunable dislocation densities and plastic zone size. Scanning transmission electron microscopy analysis underpins the activated slip system to be <110> {11¯$\bar{1}$0}. Given the growing significance of KTaO3 as an emerging electronic oxide and the increasing interest in dislocations for tuning the physical properties of oxides, our findings are expected to trigger synergistic research interest in KTaO3 with tunable dislocation densities. [ABSTRACT FROM AUTHOR]

X-ray diffraction detailed analysis of nitrogen-added austenitic 316LN stainless steels with different nitrogen concentrations (0.07, 0.11, 0.14, 0.22 wt.%) was carried out in creep-tested (at 923 K, 200 MPa) and solution-annealed conditions. The effect of nitrogen on lattice parameter was studied before and after creep testing. Size and strain were estimated through Williamson–Hall analysis. High nitrogen-added 316LNSS showed lower dislocation density. Increase in creep rupture lifetime with nitrogen content correlated well with the lattice parameter, crystallite size, and strain. [ABSTRACT FROM AUTHOR]

The cold rolling behavior of ferritic stainless steel was investigated via crystal plasticity analysis to clarify the effects of initial orientation and neighboring grain interaction on grain rotation and fragmentation behaviors. The analysis revealed that the {112} < 110 > orientation grain tends to maintain its initial orientation after cold rolling. However, the {110} < 001 > orientation grain completely disappeared at 80% cold rolling thickness reduction. The {110} < 001 > orientation grain had high deformation sensitivity. The four initial orientation grains tend to rotated toward the line connecting < 001 > and < 111 > , eventually stabilizing at < 111 > //normal direction (ND). Grains rotate in the following path: < 117 > → < 113 > → < 112 > → < 223 > → < 111 >. The dislocation density is different between grains near the grain boundary region and those farther away. The near < 111 > //ND deformation microstructure region has a lower dislocation density compared to the region near < 110 > //ND. Furthermore, the {111} < 110 > orientation grain exhibited significant grain fragmentation, while the {001} < 110 > orientation grain eventually forms the < 110 > //rolling direction (RD) deformation microstructure without significant fragmentation. The initial orientation {110} < 001 > grain resulted in a double fiber deformation texture with < 111 > //ND and < 110 > //RD orientations. This grain has grain fragmentation features corresponding to the initial {111} < 110 > and {001} < 110 > orientations. These findings are important for understanding the deformation behavior of grains in polycrystalline materials, as well as for designing high-performance metals by controlling the initial microstructure during cold rolling. [ABSTRACT FROM AUTHOR]

In this study, the effect of dislocation and grain boundary (GB) on hydrogen embrittlement of aluminum alloys was investigated using pre-strain and molecular dynamics (MD). Hydrogen increased the yield strength (YS) and ultimate tensile strength (UTS) of pre-strain alloys. MD simulations revealed that hydrogen enhance the critical resolved shear stress (CRSS) for dislocation, and hydrogen segregation GB reduce material strength. The YS and UTS of Al alloys are affected by both mechanisms during deformation, and the two mechanisms exhibit a competitive relationship. Hydrogen enhanced CRSS dominates in higher dislocation density deformations. [Display omitted] • H increase the YS and UTS of pre-strain 7075 Al alloys. • H has a pinning effect on dislocation and enhanced the CRSS. • Hydrogen segregation GB reducing the tensile strength of Al. • The YS and UTS of Al are influenced by a combination of two distinct mechanisms. • H enhanced dislocation slip CRSS dominates in higher dislocation density deformation. [ABSTRACT FROM AUTHOR]

In the present study, Inconel 686 thick-wall part manufactured utilizing gas metal arc welding-based wire arc directed energy deposition (WA-DED) was examined. The microstructure and mechanical properties of the fabricated Inconel 686 component across different sections, such as bottom, middle, and top, were explored, and the influence of cryogenic treatments, such as shallow and deep, on the properties of the fabricated specimens was examined. The optical and scanning electron microscopy revealed differences in microstructure across various regions of the deposited metal. The bottom region showed a columnar structure, the intermediate region displayed a combination of cellular structures, and the top layer featured an equiaxed structure. These variations contribute to heterogeneity and anisotropy in the mechanical characteristics. Moreover, the microstructure of the deep cryogenic treatment (DCT)-treated samples exhibited a finer grain structure in contrast to both the as-built and shallow cryogenic treatment (SCT)-treated WA-DED samples attributed to grain refinement. X-ray diffraction analysis observed that applying DCT decreased grain size, with the average grain size of the DCT-treated sample measuring 22.81 nm, while concurrently increasing the dislocation density to 19.22 × 10–4 nm–2. Energy-dispersive X-ray spectroscopy point analysis, elemental mapping, and line mapping were conducted to study the microsegregation and spatial distribution of alloying elements in the grain boundaries and interdendritic regions. Results indicated intensified segregation tendencies of alloying elements molybdenum (Mo) and tungsten (W) with increasing deposited height, peaking in the lowermost region. However, DCT samples exhibit reduced elemental segregation compared to as-built and SCT samples. The tensile strength and microhardness showed substantial differences across various areas. Cryogenic treatments considerably improved the mechanical properties of WA-DED specimens compared to their as-built state. As a result, the tensile strength improved by 7.23%, and the hardness strength increased by 8.98%. [ABSTRACT FROM AUTHOR]

ABSTRACT A novel heterocyclic thiosemicarbazide ligand, [(Z)‐N‐(2‐oxoindolin‐3‐ylidene)nicotinohydrazide] (H2L), and its Co(II), Cu(II), and Cd(II) metal chelates were synthesized and characterized using a variety of analytical methods, including elemental analysis, FT‐IR, UV–Visible spectroscopy, EI‐mass, fluorescence spectroscopy, X‐ray powder diffraction, and TGA. The structures and geometries of the complexes were determined using these methods as [Co2(H2L)2Cl2(H2O)4]·2H2O, [Cu(H2L)2Cl2(H2O)2]·2H2O, and [Cd(H2L)2Cl2(H2O)2], all having octahedral geometry. The particulate diameters for [Co2(H2L)2Cl2(H2O)4]·2H2O, [Cu(H2L)2Cl2(H2O)2]·2H2O, and [Cd(H2L)2Cl2(H2O)2] were 192.68, 68.48, and 192.74 nm, respectively using Debye–Scherrer equation and FWHM approach. The corresponding FWHM values were 0.0078, 0.0217, and 0.0075, whereas the crystal strain was calculated as (ε) = 0.0018, 0.0056, and 0.0054, and the dislocation density (δ) as 2.69 × 10−5, 2.13 × 10−4, 2.69 × 10−5 Å−2. Quantum chemical calculations for the ligand and its solid metal complexes were carried out utilizing DFT with the DMOL3 module. Furthermore, the optical sensing response of the free ligand H2L to Co(II), Cu(II), and Cd(II) ions was investigated, revealing that the presence of these metal ions enhanced the fluorescence spectra of the ligand. Additionally, the antibacterial effects of these compounds, as well as their cytotoxicity in human cancer cells, were investigated. Compared to its metal complexes, the ligand, H2L exhibits increased antibacterial activity against various bacteria. Tests on HepG‐2 and MCF‐7 cells were conducted to evaluate the compounds' anticancer efficacy against the standard, Doxorubicin. The ligand, H2L, demonstrated greater cytotoxicity against the HepG‐2 cell line than its metal complexes. Docking experiments were conducted to assess the interaction of the ligand and its complexes with HepG‐2 (PDB ID: 2OH4) and MCF‐7 (PDB ID: 3W2S) cells, using the XP glide technique and Schrödinger suite software. [ABSTRACT FROM AUTHOR]

CuO nanoparticles (NPs) stand out due to their inherent antibacterial activity, cost-effectiveness, and tunable bandgap, rendering them promising for medical, disinfection, environmental, and industrial applications. Our study aimed to synthesize CuO NPs using fish scale (FS) waste and assess the impact of calcination temperature (100 °C, 300 °C, 500 °C, and 700 °C) on their structural and antibacterial properties. XRD analysis confirmed the formation of monoclinic structured CuO, corroborated by XPS analysis indicating a Cu2+ oxidation state. Crystallographic parameters such as lattice dimensions, the volume of the unit cell, the density of the unit cell, micro-strain, and dislocation density for all four CuO NP samples were calculated using established equations. The crystallite size was estimated by employing the Scherrer equation, linear straight-line method (LSLM), Williamson–Hall (W–H) method, Halder–Wagner (H–W) method, Monshi–Scherrer (M–S) method, and size–strain plot (SSP) method. Based on the highest value of the coefficient of determination (R2), the appropriateness of the measurement techniques was determined, and the crystallite sizes were found to be 10 nm, 11 nm, 24 nm, and 35 nm, respectively. The particle size was estimated based on the FESEM and TEM images, both of which showed an increase in size with calcination temperature. FTIR detected the presence of amide bands, which originated from the FS, and the EDX analysis provided qualitative and quantitative elemental measurements. The antibacterial activity was investigated against two Gram-negative (E. coli and S. typhi) and two Gram-positive (B. megaterium and S. aureus) bacterial strains. Increasing the calcination temperature resulted in increased particle size, which led to reduced antibacterial activity. [ABSTRACT FROM AUTHOR]

This work investigates the mechanical properties of medium manganese automotive steel across a strain rate range from 2 × 10−4 to 200 s−1. The results indicate that the tensile strength is the lowest at a low strain rate (0.0002 s−1), primarily due to the high mechanical stability of austenite, which results in low work‐hardening ability during deformation. As the strain rate increases, the softening effect because of temperature rise, and the dislocation density increase. Consequently, the deformation mechanism is transitioned from the transformation induced plasticity (TRIP) effect (ε < 2 × 10−2 s−1) to the co‐occurrence TRIP and twinning induced plasticity effect (ε ≥ 2 × 10−2 s−1). Furthermore, in the initial stages of dynamic deformation (ε < 0.1), the same work‐hardening phenomenon occurs under the influence of geometrically necessary dislocations as in quasi‐static deformation. However, in the later stages of dynamic deformation (ε > 0.25), the weakening of the copper texture density occurs due to an increase in stacking fault energy within the austenite. [ABSTRACT FROM AUTHOR]

This study investigates the preparation of ultrahigh-strength AZ80 magnesium alloy bulks using room temperature multidirectional forging (MDF) at different strain rates. The focus is on elucidating the effects of multidirectional loading and strain rates on grain refinement and the subsequent impact on the mechanical properties of the AZ80 alloy. Unlike hot deformation, the alloy subjected to room temperature MDF exhibits a lamellar twinned structure with multi-scale interactions. The key to achieving effective room temperature MDF of the alloy lies in combining multidirectional loading with small forging strains per pass (6%). This approach not only maximizes the activation of twinning to accommodate deformation but ensures sufficient grain refinement. Microstructural analysis reveals that the evolution of the grain structure in the alloy during deformation results from the competition between {10 1 ¯ 2} twinning or twinning variant interactions and detwinning. Increasing the forging rate effectively activates more twin variants, and additional deformation passes significantly enhance twin interaction levels and dislocation density. Furthermore, at a higher strain rate, more pronounced dislocation accumulation facilitates the transformation of twin structures into high-angle grain boundaries, promoting texture dispersion and suppressing detwinning. The primary strengthening mechanisms in room temperature MDF samples are grain refinement and dislocation strengthening. While increased dislocation density raises yield strength, it reduces post-yield work hardening capacity. After two passes of MDF at a higher strain rate, the alloy achieves an optimal balance of strength and ductility, with a tensile strength of 462 MPa and an elongation of 5.1%, significantly outperforming hot-deformed magnesium alloys. [ABSTRACT FROM AUTHOR]

The influence of different heat‐treatment conditions on the microstructure evolution and mechanical properties of cold‐rolled Fe–7.69Mn–2.76Al–0.12C (wt%) steel is investigated using various techniques, including scanning electron microscopy, transmission electron microscopy (TEM), and X‐ray diffraction. In the results, it is shown that the stability of austenite is significantly affected by different partitioning temperatures. It is found that factors such as dislocation density, temperature, and grain size collectively influence partitioning behavior. In the observations, it is revealed that when the partitioning temperature is raised from 120 to 180 °C, the dislocation density of the face centered cubic phase within the test steel decreases from 10.38 × 1016 to 7.67 × 1016 m−2. Additionally, within specimens exhibiting higher dislocation densities, carbon element diffusion is more uniform. During the experiment, the poor stability of the austenite is found to be susceptible to stress‐inducing the phase of the martensitic transformation, and the type of the martensite transformation affects the deformation process and the performance of submission behavior. In the observations under TEM, a phenomenon where variations in dislocation density within individual austenite grains may lead to differing stability across grain regions is revealed, thereby triggering localized martensitic phase transformations. [ABSTRACT FROM AUTHOR]

Novel three-dimensional mesh porous gallium nitride (GaN) substrates were prepared by a two-step method combining electrochemical etching and molten alkali etching. The porous GaN substrate facilitated the successful growth of self-separated GaN crystals via hydride vapor phase epitaxy (HVPE), achieving a thickness of around 1.5 mm. The nucleation and growth process on a three-dimensional mesh porous substrate was demonstrated. High-resolution X-ray diffraction full width at half maximum (FWHM) highlighted the superior quality of the GaN crystals grown on porous substrates. Cathodoluminescence (CL) testing showed a significant reduction in the dislocation density, and transmission electron microscopy (TEM) cross-sectional analysis revealed that the porous structure can effectively impede dislocation propagation. Our work provides a new technological route for the growth of high-quality self-separated GaN crystals. [ABSTRACT FROM AUTHOR]