High Density Of Grain Boundaries Research Articles

Hot corrosion of sputtered nanocrystalline coating with and without preoxidation and arc ion plating coating on a Ni-based single-crystal superalloy

Hot corrosion of the N5 nanocrystalline coating with 0.5 wt% Y addition with and without preoxidation under 75 wt% Na2SO4 + 25 wt% NaCl molten salts at 900 °C was investigated, in comparison with that of the NiCrAlY coating under the same condition. The results showed that the nanocrystalline coating with nano-columnar structure suffered more severe corrosion than NiCrAlY coating. The high density of grain boundaries in the nanocrystalline coating facilitated inward penetration of the corrosive medium and accelerated the destruction of the scale. Preoxidation significantly enhanced the corrosion resistance of the nanocrystalline coating by forming an exclusive Al2O3 scale on the surface that could prevent molten salt from accessing the coating surface. The coating preoxidized at 1000 °C exhibited the highest corrosion resistance with the least internal corrosion. Y stabilized Ta and/or S during preoxidation and subsequent corrosion process, improving the purity and stability of the scale. The coating preoxidized at 1100 °C performed worse than that at 1000 °C. The inferior corrosion resistance was attributed to the more Ta oxides segregation and faster consumption of Al at the higher preoxidation temperature, accelerating scale destruction during hot corrosion.

Role of surface roughness in determining surface energy and magnetic properties of Fe80Ce20 films during thermal processing on Si(100) and glass substrates

In this study, Fe80Ce20 films were deposited on Si(100) and glass substrates using sputtering in a high-vacuum environment and subsequently heat-treated in a vacuum annealing furnace. The films, with thicknesses ranging from 10 nm to 50 nm, were annealed at temperatures of 100 °C, 200 °C, and 300 °C. The objective was to investigate the effects of film thickness and annealing temperature on the structural, surface energy, and magnetic properties of the material. X-ray diffraction (XRD) analysis confirmed the crystalline nature of both Si(100)/Fe80Ce20 and Glass/Fe80Ce20 films. Atomic force microscopy (AFM) revealed a smooth film surface that became rougher after annealing. Contact angle measurements indicated hydrophilic properties, with the highest surface energy observed in the as-deposited films due to a higher density of defects and grain boundaries. The hysteresis loop demonstrated exceptional soft magnetic properties and a high saturation magnetization (Ms) of approximately 2000 emu/cm³. Annealing at 100 °C altered the magnetic domain structure from a striped labyrinthine configuration to an aligned pattern. At higher annealing temperatures, the films exhibited grain growth, increased surface roughness, and new grain formation. Following annealing, the grains in the Fe80Ce20 films became larger, surface roughness increased, and the water contact angle increased, rendering the films more hydrophobic. The as-deposited films displayed the highest surface energy due to the high density of defects and grain boundaries. Increased surface roughness led to more grain boundary defects and irregularities, which served as pinning points for magnetic domain walls, thus increasing coercivity (Hc). Rough surfaces induced local stress fields, increased magnetic anisotropy, and decreased saturation magnetization. Thermal perturbations from higher annealing temperatures further disrupted the alignment of the magnetic moments, leading to a reduction in saturation magnetization.

Microstructure evolution and mechanical properties of a lamellar AlCoCrFeNi2.1 eutectic high-entropy alloy processed by high-pressure torsion

High-pressure torsion (HPT) was applied to a lamellar eutectic high-entropy alloy (EHEA) to study the effect of severe plastic deformation (SPD) on the composite structure and mechanical properties. We found that the existence of multiple phases affects defect distribution and the fragmentation process during HPT. Structural evolution shows orientation dependence with respect to the shear plane, which finally leads to a refined multiphase structure with nanograins and vortex clusters after a shear strain γ of 24. In nanograins, dislocation-mediated deformation prevails. The high density of grain boundaries, forest dislocations, and the generation of deformation twins restrict dislocation movement. As a result, an EHEA with a yield strength of 1.75 GPa, an excellent tensile strength of 2.20 GPa, and an appreciable failure strain of 5 % is realized. Our results demonstrate that the HPT deformation process of the lamellar EHEA is significantly affected by the structure. SPD on the multiphase structure is a suitable route for designing high-strength yet ductile alloys.

Programmable Analog Circuits with Neuromorphic Nanostructured Platinum Films

AbstractSelf‐assembled nanoparticle or nanowire networks have recently come under the spotlight as systems able to emulate brain‐like data processing performances by exploiting the memristive character and the wiring of the junctions connecting the nanostructured network building blocks. Recently it is demonstrated that nanostructured Au films, fabricated by the assembling of gold clusters produced in the gas phase, have non‐linear and non‐local electric conduction properties caused by the extremely high density of grain boundaries and the resulting complex arrangement of nanojunctions. These observations suggest that nanostructured metallic films can be explored and exploited as a novel class of neuromorphic systems for unconventional electronic devices. Here it is reported that nanostructured cluster‐assembled Pt films show resistive switching activity, negative differential resistance, and reversible memory effects. These properties allow the use of nanostructured Pt films in programmable analog circuits, such as gain amplifiers and relaxation oscillators with fast response.

Room-Temperature Ripening Enabled by Hygroscopic Salts for Hole-conductor-free Printable Perovskite Solar Cells with Efficiency Over 20.

Solution-processed perovskite films generally possess small grain sizes and high density of grain boundaries, which intensify non-radiative recombination of carriers and limits the power conversion efficiency (PCE) of solar cells. In this study, we report the room-temperature ripening enabled by the synergy of hygroscopic salts and moisture in air for efficient hole-conductor-free printable mesoscopic perovskite solar cells (p-MPSCs). Treating perovskite films with proper hygroscopic salts in damp air induces obvious secondary recrystallization, which coarsens the grains size from hundreds of nanometers to several micrometers. It's proposed that the hygroscopic salt at grain boundaries could absorb moisture and form a complex which could not only serve as mass transfer channel but also assist in the dissolution of perovskite grains. This activates mass transfer between small grains and large grains since they possess different solubilities, and thus ripens the perovskite film. Consequently, p-MPSCs treated with the hygroscopic salt of NH4SCN show an improved power conversion efficiency of 20.13% from 17.94%, and maintain >98% of the initial efficiency under maximum power point tracking at 55±5°C for 350 hours.

Achieving High Strength-Ductility Synergy in Low-Alloyed Mg-Li-Er Extrusion Alloys via Tailoring Bimodal-Grained Structure.

Low-alloyed Mg-Li-Er alloys were developed in this study and a bimodal-grained structure was obtained by varying the trace Er content and extrusion temperature. The alloys displayed a good strength-ductility synergy, i.e., a tensile yield strength (TYS) of 270 MPa and an elongation (EL) of 19.1%. Microstructural characterization revealed that the formation of numerous submicron Mg24Er5 particles favored a high density of low-angle grain boundaries (LAGBs) inside the deformed grains and inhibited dynamic recrystallization (DRX). The resultant coarse unDRXed grains with a strong basal texture and considerable LAGBs, together with the fine DRXed grains, contributed to the high strength-ductility synergy.

High pressure coupled with Cu deficiency boosts thermoelectric performance in BiCuSeO oxides

Low carrier concentration and mobility have been the primary obstructions to improving the electrical transport properties of BiCuSeO thermoelectric oxides, particularly for excessively low carrier mobility, heavily impeding the development of its thermoelectric performance. Herein, high-pressure technology is adopted to tune the electronic structure motivating carrier mobility, incorporated with the contribution of Cu deficiency to carrier concentration, achieving high carrier mobility of 25 cm2V−1s−1 and outstanding electrical conductivity of 2834.57 Sm−1. Moreover, high densities of grain boundaries and dislocations are introduced by high pressure, accompanied by the effect of Cu vacancies, suppressing phonon transport and depressing lattice thermal conductivity, finally realizing an acceptable zT of 0.56 at 823 K in BiCu0.97SeO. This work demonstrates that high pressure can be compatible with other methods, realizing synergetic optimizations in coupled parameters and thus improving thermoelectric performance in BiCuSeO oxides.

Grain-Boundary Engineering Boosted Undercoordinated Active Sites for Scalable Conversion of CO2 to Ethylene.

The development of highly selective and energy efficient technologies for electrochemical CO2 reduction combined with renewable energy sources holds great promise for advancing the field of sustainable chemistry. The engineering of copper-based electrodes facilitates the conversion of CO2 into high-value multicarbon products (C2+). However, the ambiguous determination of the intrinsic CO2 activity and the maximization of the density of exposed active sites have severely limited the use of Cu for the realization of practical electrocatalytic devices. Here, we report a scalable strategy to obtain a high density of undercoordinated sites by maximizing the exposure of grain-boundary active sites using a direct chronoamperometric pulse method. Our numerical investigations predicted that grain boundaries modulate the adsorption behavior of *CO on the Cu surface, which acts as a key intermediate species associated with the production of multicarbon species. We investigated the consequence of grain-boundary density on dendric Cu catalysts (GB-Cu) by combining transmission electron microscopy, in situ Raman spectroscopy, and X-ray photoelectron spectroscopy with electrochemical measurements. A linear relationship between the Faradaic efficiency of the C2+ product and the presence of undercoordinated sites was observed, which allowed to directly quantify the contribution of the grain boundary in Cu-based catalysts on the CO2RR properties and the formation of multicarbon products. Using a membrane electrode assembly electrolyzer, the high grain-boundary density Cu electrodes achieved a maximum Faradaic efficiency of 73.2% for C2+ product formation and a full-cell energy efficiency of 20.2% at a specific current density of 303.6 mA cm-2. The GB-Cu was implemented in a 25 cm2 MEA electrolyzer and demonstrated selectivity of over 62% for 70 h together with current retention of 88.4% at the applied potential of -3.80 V. The catalysts and electrolyzer were further coupled to an InGaP/GaAs/Ge triple-junction solar cell to demonstrate a solar-to-fuel (STF) conversion efficiency of 8.33%. This work designed an undercoordinated Cu-based catalyst for the realization of solar-driven fuel production.

Oxidation behaviors of a Ni–Cr–W based superalloy with different microstructures

Oxidation behaviors of a Ni–Cr–W based superalloy were investigated in terms of microstructural characteristics. It was found that the specimens with small grains present a better oxidation resistance owing to their higher density of grain boundaries. Based on analyses of the products of oxidation, the oxidation kinetics, the morphologies and the structures of oxide scales, the oxidation mechanisms correlated with the outward diffusions of metal cations were proposed. The results of this work indicated that grain refinement is one of effective measures to enhance the oxidation resistance of the investigated alloy.

The mechanism for the superior isotropic mechanical properties attained in a cross rolling TiNb alloy

In the present study, the Ti–41Nb (wt.%) alloy featuring a microstructure composed of β and α″ phases have been prepared through the application of the Cross Rolling (CSR) technique to achieve a near-isotropic superior mechanical behavior. The experimental findings revealed that the CSR sample exhibits a uniform β matrix, randomly dispersed α″ martensite and a high density of dislocations and grain boundaries. Subsequent experiments unveiled that the CSR sample displays an almost isotropic mechanical response across three typical directions, Rolling Direction (RD), a 45° deviation from RD, and Transverse Direction (TD), evidenced by comparable stress-strain curve profiles and ultimate tensile strength (UTS) values. Due to the randomly distributed textures and high density of dislocations and grain boundaries, the stress-induced martensitic (SIM) transformation exhibits a similar characteristic in three typical directions, that is, the SIM transformation took place homogeneously and continuously. Consequently, the CSR sample can achieve a near-isotropic and outstanding mechanical performance due to the similar characteristics of martensitic phase transformation and the strengthening effect brought by the high density of dislocations and grain boundaries.

A mechanistic study of grain boundary behaviour during irradiation-induced growth in zirconium

Grain boundaries play a significant role during deformation and can exhibit both beneficial and adverse effects on deformation behaviour during irradiation. For instance, macroscopic irradiation growth is increased by the presence of a high density of grain boundaries. Grain boundaries can act as sinks for point defects and barriers to dislocation motion. Thus, a mechanistic assessment of the impact of grain boundaries is essential for better understanding irradiation-induced deformation. The interplay between irradiation-induced microstructure and mechanical properties has been an area of research for many decades, but many uncertainties remain. In the present work, the deformation fields adjacent to grain boundaries in pure zirconium are investigated by using high angular resolution electron backscatter diffraction (HR-EBSD) after a period of irradiation growth. It is observed that the extent of grain boundary deformation is associated with the crystallographic orientation difference between adjacent grains. High-angle grain boundaries function as a deformation constraint, whereas a significant grain boundary migration occurs at some low-angle grain boundaries, which likely act as an active diffusion path for the irradiation-induced point defects. In addition, the change in residual strain fields associated with the irradiation damage is quantified with respect to a non-irradiated reference. A net change in the state of residual elastic strain in the order of ∼10−3 has been estimated for ∼8 dpa proton irradiation. Furthermore, the origin of residual elastic strain and lattice misorientation concentration along (0002) traces are discussed.

Influence of TiB2 Incorporation on Microstructural Evolution in Laser-Clad FeCrV15 + TiB2 Deposits

AbstractVanadium carbide (VC)-reinforced Fe-based hard facings are pivotal in enhancing the wear resistance of tools prone to mechanical damage. This study investigates the impact of titanium diboride (TiB2) addition (at varying laser power and powder federate) on the microstructure, hardness, wear resistance, and corrosion resistance of high-carbon ferrochrome FeCrV15 clad coatings for agricultural and mining applications. Laser cladding techniques were employed to deposit coatings on steel substrates, and the samples were subjected to comprehensive material characterization, including microhardness testing, wear studies, and electrochemical polarization. Results reveal that TiB2 addition led to visible reactions during deposition, resulting in decreased hardness compared to pure FeCrV15 coatings. Moreover, TiB2 incorporation adversely affected the anti-corrosion properties of the coatings, although FeCrV15 coatings exhibited superior corrosion resistance compared to FeCrV15 + TiB2 coatings. Tribological evaluations showed that all coatings exhibited better anti-wear capabilities compared to the steel substrate, with varying degrees of improvement influenced by TiB2 concentration and laser beam power. Overall, FeCrV15 deposits demonstrated superior anti-wear and anti-corrosion properties compared to FeCrV15 + TiB2 coatings and attributed to increased convergence of carbide particles and higher grain-boundary density. This research contributes to understanding the intricate interplay between carbide reinforcement and matrix structure in Fe-based hard facings, providing insights for optimizing coating performance in demanding industrial applications.

Effect of Pre-Weld Heat Treatment on the Microstructure and Properties of Coarse-Grained Heat-Affected Zone of a Wind Power Steel after Simulated Welding

The effect of pre-weld heat treatment on the microstructure and low-temperature impact toughness of the coarse-grained heat-affected zone (CGHAZ) after simulated welding was systematically investigated through the utilization of scanning electron microscopy (SEM) and electron back-scattering diffraction (EBSD). The Charpy impact test validated the presence of an optimal pre-weld heat treatment condition, resulting in the highest impact toughness observed in the CGHAZ. Three temperatures for pre-weld heat treatment (690, 720 and 750 °C) were used to obtain three different matrices (Steel 1, Steel 2, Steel 3) for simulated welding. The optimal pre-weld heat treatment is 720 °C for 15 min followed by water quench. Microstructure characterization showed that there is an evident microstructure comprising bainite (B) in Steel 1 and Steel 2 after pre-weld heat treatment, while the addition of martensite (M) with the pre-weld heat treatment temperature exceeds Ac1 by almost 60 °C (Steel 3). These differences in microstructures obtained from pre-weld heat treatment influence the refinement of high-temperature austenite during subsequent simulated welding reheating processes, resulting in distinct microstructural characteristics in the CGHAZ. After the optimal pre-weld heat treatment, Steel 2 subjected to single-pass welding thermal simulation demonstrates a refined microstructure characterized by a high density of high-angle grain boundaries (HAGBs) within the CGHAZ, particularly evident in block boundaries. These boundaries effectively prevent the propagation of brittle cracks, thereby enhancing the impact toughness.

Effect of Boron on Microstructures and Low-Temperature Impact Toughness of Medium-Carbon CrMo Alloy Steels with Different Quenching Temperatures

The effect of boron (B) on the microstructures and low-temperature impact toughness of medium-carbon CrMo steel quenched at 870~1050 °C and tempered at 600 °C was studied via Charpy impact testing and microstructure characterizations. The results showed that with an increasing B content from 0 to 50 ppm, the low-temperature impact toughness deteriorated significantly at quenching temperatures (Tq) lower than 950 °C but increased at a higher Tq of 1050 °C. Undissolved M2B particles remained and coarsened during the holding process due to the low Tq, decreasing the critical stress required for crack initiation and deteriorating the impact toughness accordingly. However, this detrimental effect of B could be mitigated by a higher Tq, and the favorable influences on the impact toughness improvement could be attributed to (1) the finer M2B particles formed during quenching effectively pinning the austenite grain boundaries (GBs), leading to a finer block size and a high density of high-angle grain boundaries, which reduced the critical stress for crack initiation; and (2) the fact that the coarsening of M23C6 on the GBs during tempering was slightly suppressed by the segregated B, eventually increasing the energy required for crack propagation. However, the degree of the favorable effect due to B was still lower than the negative effect of a high Tq.

A study on the thermal conductivity of proton irradiated CVD-SiC and sintered SiC, measured using a modified laser flash method with multi-step machining

CVD-SiC and sintered SiC (SPS-SiC) were proton irradiated at 340 ̊C receiving different levels of damage (0.05–0.25 dpa). A novel multi-step machining and measurement method using laser flash analysis (LFA) was developed to derive the thermal conductivity of the irradiated layer (∼46 µm). Before irradiation, the thermal conductivity of SPS-SiC was much lower than CVD-SiC, primarily due to its higher intrinsic defect concentration and smaller grain size which provide a greater density of barriers to phonon transmission. Following irradiation, major thermal conductivity degradation (∼90%) was found to occur to both types of SiC after only a low dose (∼0.1 dpa), with both saturating at a similarly low value (a few W/K⋅m), as the thermal resistivity due to the presence of high density of grain boundaries became less important. Thermal conductivity degradation after irradiation was primarily caused by point defects in both types of SiC, as reflected by Raman spectra.

Crystallization modulation and defect passivation in carbon-based perovskite solar cells using multifunctional group additive

Recently, carbon-based perovskite solar cells have attracted wide attention in academia and industry because of their simple preparation process, low cost, and adaptability to roll-to-roll industrial production. The combination of ternary perovskite composition and carbon electrode configuration is expected to meet the requirements of device performance and stability. However, low grain size, and high density of grain boundary and surface defect states result in serious non-radiative recombination, which is one of the main gaps between the carbon-based perovskite solar cells and metal-electrode-based devices. Based on the consideration of crystal tuning and defect passivation of ternary CsFAMA thin films, the additive molecule 5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole (DMB) with multifunctional groups were introduced into the film. XRD show that the (100) and (200) crystal plane orientation growth directed by the DMB additive lead to the formation of the micro-sized perovskite. XPS suggests that DMB not only modulates the crystallization of the films but also exists at the grain boundaries, and realizes the passivation of undercoordinated Pb2+ defects and inhibits the generation of Pb0. The defect state density is significantly reduced, and the carrier lifetime is greatly improved. The possible mechanism for perovskite crystal growth as well as defect passivation based on Lewis acid-base coordination and hydrogen bond was also proposed. After the introduction of DMB, a power conversion efficiency of 14.40% was achieved, which was 13.4% higher than that of the control device. After nearly 1200 h of environmental stability test, the DMB modified device still retained 95% of the original efficiency. This work emphasizes the feasibility of simultaneously realizing the crystallization modulation and defect passivation of carbon-based perovskite solar cells using the additive with multifunctional groups, and provides a reference for the commercialization of carbon-based perovskite solar cells.

Chromatic dispersion-tolerant mode-locking of directly synthesized graphene for the control of laser pulse energy

Transfer-free direct synthesis of graphene (Gf) has been anticipated to develop small-footprint ultrafast optical devices that rely on the excellent nonlinearity of defect-suppressed Gf. Atomic carbon spraying (ACS) technique enables a direct and conformal growth of 3-dimensional (3D) Gf on the 3D surface of substrates by introducing a new ceramic catalyst. However, with the high density of grain boundaries retained in the resultant Gf nanocrystals, their unimpaired optical nonlinearity should be verified. We demonstrate a fiber ring femtosecond laser based on passive mode-locking of the ACS Gf synthesized on the side-polished surface of an optical fiber for the asymmetric nonlinear interaction of laser evanescent field and Gf. Widely operable chromatic dispersion range for the ACS Gf-based mode-locking is shown experimentally to tune the individual pulse energy. The ACS Gf manages a reliable interplay between the anomalous dispersion and optical nonlinearity of the laser cavity at high-intracavity power, resulting in dispersion-tolerant short pulse generation. Output pulse energy up to 9.05 nJ of the hyperbolic secant pulses is achieved with the extra-length of single mode fibers ranging from 30 to 250 m, ensuring the robust nonlinear operation of the ACS Gf.

Microstructure evolution and mechanical property of Mg-Gd-Y-Zn-Zr alloy wires prepared by hot drawing

This study examined the effects of hot drawing deformation on the microstructure, texture, and mechanical properties of an Mg-9.5Gd-4Y–2Zn-0.3Zr alloy. A Φ6 mm extruded alloy bar was hot drawn down to a Φ1.2 mm wire through multi-passes. The results revealed that the intergranular 18R-long period stacking ordered (LPSO) phase was gradually changed into elongated shapes distributing along the drawing direction with increasing deformation strain, while the 14H-LPSO phase precipitates in the α-Mg matrix are progressively fragmented. The average grain size in the wire first increased from 4.6 μm to 25.9 μm and then decreased to 6.7 μm, and the volume fraction of dynamic recrystallisation first decreased from 95.5% to 8.6% and then increased to 48.7%. The initial weak <0001>//ED anomalous texture gradually changed and strengthened into a <01-10>//DD dual basal texture. The Φ1.2 mm wire achieved a tensile strength of 553.5 MPa, a yield strength of 473.6 MPa, and an elongation of 2.5%. Calculations indicated that the high yield strength in Φ1.2 mm wire was mainly attributed to the high content of the large aspect ratio 18R-LPSO phase, high density of low angular grain boundaries, and strong basal texture.

He bubble-induced phase transformation of W grain boundaries revealed by accelerated molecular dynamics

The growth of He bubbles and the resulting impact on the microstructural evolution of W are of paramount importance to the plasma-facing materials community due to the application of W in Tokamak fusion reactors. Using accelerated molecular dynamics (AMD) techniques, we outline the structural evolution of grain boundaries (GBs) caused by growing He bubbles. It is discovered that when an alternative, low energy, high density GB structure or phase is available, He bubbles can induce a progressive phase transformation of the GB to the higher density phase by the continual nucleation of W Frenkel pairs. We find that the resulting W self-interstitials migrate to sites at the GB which are structurally related to the higher density phase, leading to the transformation. We discuss the implications of this progressive microstructural evolution on the growing He bubble and consider in general how He bubbles will impact the structural evolution of an arbitrary W GB. These findings of GB phase transformation are predicted to impact other damage events in W such as recrystallization, GB migration and defect segregation which must take these findings into account in order to accurately simulate a realistic W microstructure and hence extract experimentally meaningful data.

Preparation and cavitation erosion resistance of nanocrystalline surface layer on 304 stainless steels

Cavitation erosion is a common damage form of hydraulic components. Constructing a cavitation-erosion-resistant layer on the surface of hydrodynamic components can effectively prolong the service life of the equipment. In this study, 304 austenitic stainless steel was machined by a diamond blade under specific processing parameters, and a nanocrystalline layer (304-Nano) was formed by the work hardening during the machining process. The machining process also allowed strain-induced martensitic transformation, creating martensite in the nanocrystalline layer. The nanocrystalline layer had an average grain size of approximately 34.7 nm, showing a Vickers hardness of 600 ± 30 Hv, which was much higher than that of the original 304 austenitic stainless steel (230 ± 14 Hv). After the 15-h cavitation erosion test, the cavitation erosion rate of the 304-Nano sample was only 19.4 % that of the original ordinary 304 stainless steel, showing that the 304-Nano sample has excellent cavitation erosion resistance. Furthermore, the in-situ SEM results showed that the 304-Nano sample could significantly inhibit crack propagation, which was probably attributed to its high density of grain boundaries and ultrahigh hardness. The excellent cavitation erosion resistance of the nanocrystalline layer is expected to be used as a protective material for anti-cavitation erosion applications.