Grain Boundaries Research Articles

Constructing Slip Stacking Diversity in Van der Waals Homobilayers.

The van der Waals (vdW) interface provides two important degrees of freedom-twist and slip-to tune interlayer structures and inspire unique physics. However, constructing diversified high-quality slip stackings (i.e., lattice orientations between layers are parallel with only interlayer sliding) is more challenging than twisted stackings due to angstrom-scale structural discrepancies between different slip stackings, sparsity of thermodynamically stable candidates and insufficient mechanism understanding. Here, using transition metal dichalcogenide (TMD) homobilayers as a model system, this work theoretically elucidates that vdW materials with low lattice symmetry and weak interlayer coupling allow the creation of multifarious thermodynamically advantageous slip stackings, and experimentally achieves13 and 9 slip stackings in 1T″-ReS2 and 1T″-ReSe2 bilayers via direct growth, which are systematically revealed by atomic-resolution scanning transmission electron microscopy (STEM), angle-resolved polarization Raman spectroscopy, and second harmonic generation (SHG) measurements. This work also develops modulation strategies to switch the stacking via grain boundaries (GBs) and to expand the slip stacking library from thermodynamic to kinetically favored structures via in situ thermal treatment. Finally, density functional theory (DFT) calculations suggest a prominent dependence of the pressure-induced electronic band structure transition on stacking configurations. These studies unveil a unique vdW epitaxy and offer a viable means for manipulating interlayer atomic registries.

Gradient microstructures and mechanical properties of WAAMed and aged Al–Cu alloy after laser shock peening

The integration of wire-arc additive manufacture (WAAM) and laser shock peening (LSP) facilitated the study of the gradient microstructure in T6-treated WAAM Al–Cu alloy and the synergistic strengthening mechanisms involving the precipitation phase and LSP parameters. The results indicate that pore closures, increases in kernel average misorientation (KAM), and low angle grain boundary (LAGB) are positively associated with LSP energy density. Residual stress positively correlates with LSP energy density and inversely with spot diameter, where larger spots exacerbate non-uniformity. The values of dislocation density, microhardness and residual stress of the post-LSP specimen gradually increase with the increase of depth, and reach the maximum value at ~100 μm. As the depth continues to increase, the value begins to decrease gradually. Dislocation accumulation near grain boundaries, interacting with θ’-Al2Cu, contributes to strength enhancement. The main strengthening mechanisms enhanced by LSP involve creating a gradient microstructure through significant plastic deformation, pore closure, and the presence of high-density dislocations. Post-T6 treatment, θ’-Al2Cu significantly restricts dislocation slip, pins dislocations, and encourages the emergence of new dislocation sources, thereby enhancing the strengthening effect and stability induced by LSP.

Research on hot deformation behavior and microstructure evolution mechanism of GH4169 superalloy

The hot deformation behavior and microstructure evolution of GH4169 superalloy were investigated through hot compression experiments with a temperature range of 900–1100 °C and strain rates ranging from 0.01 to 5 s−1. Concurrently, the flow stress curve of the alloy was obtained and constitutive equations were established. Based on the dynamic material model, a hot working diagram was established and the hot working window was optimized. The findings demonstrate that the high-temperature softening mechanism of this alloy primarily involves dynamic recrystallization (DRX), while both discontinuous dynamic recrystallization (DDRX) and continuous dynamic recrystallization (CDRX) exist. According to the hot processing map, the process parameters corresponding to the unstable areas are low temperatures and medium-high strain rates (900–985 °C, 0.15–5 s−1), and high temperatures and high strain rates (1025–1100 °C, 2.5–5 s−1). The reason is that the appearance of deformation bands and flow localization in the microstructure. The optimal hot working parameters for GH4169 are 1000 °C/0.01 s−1 and 1050–1100 °C/0.01–0.1 s−1, where the microstructure consists of uniformly distributed DRX grains. The volume fraction of DRX in GH4169 alloy rises with higher temperatures or lower strain rates. In addition, the reduction of intergranular dislocations promotes the migration of grain boundaries from low angle grain boundaries (LAGBs) to high angle grain boundaries (HAGBs).

Structural evolution and mechanical response of multiple Al Σ5(210) grain boundaries with segregation of solute atoms: First-principles study

Grain boundary (GB) segregation of solute atoms is a key factor affecting the microstructure and macroscopic properties of materials. In this study, first-principles calculations were carried out to investigate the effect of solute atoms (Mg and Cu) segregation on the structural evolution and mechanical response of Al ground-state Σ5(210) GB (GB-Ⅰ) and metastable Σ5(210) GBs (GB-Ⅱ and GB-Ⅲ). The GB energy, segregation energy, and the theoretical tensile strength of the multiple Σ5(210) GBs were calculated. The results show that both Mg and Cu atoms tend to segregate in the boundary plane, thus reducing GB energy and improving GB stability. The segregation of Cu atoms reduced the GB energy more significantly than that of Mg atoms. The segregation of solute atoms can change the symmetric GB structure into an asymmetric one or induce GB phase transformation. The theoretical strength of GB-I is weaker than that of the metastable GB-II with higher GB energy, suggesting that grain boundaries with higher energy are not necessarily unstable. In addition, the effect of solute atom segregation on the GB strength depends not only on the type of element but also on the specific GB structure. The weakening effect of Mg segregation in GB-I and GB-II is due to the weak MgAl bond which enlarges the low charge density region of GB and increases the free volume of GB. The strengthening of GB-I and GB-II by Cu segregation mainly depends on the stronger AlCu bond than AlAl bond along the GB fracture path. The enhanced strength of GB-III with Mg and Cu segregation is attributed to the GB structural phase transformation caused by the segregation of solute atoms. The calculation results further elucidate the relationship between element segregation and grain boundary characteristics.

Phase-Field Simulation of Grain Growth in Uranium Silicide Nuclear Fuel

Uranium silicide (U3Si2) is regarded as a viable fuel option for improving the safety of nuclear power plants. In the present work, phase-field simulations were employed to investigate grain growth phenomena, encompassing both isotropic and anisotropic grain growth. In simulations of isotropic grain growth, it is commonly assumed that the energy and mobility of the grain boundaries (GBs) remain constant, represented by average values. The calculated grain growth kinetic rate constant, K, exhibits a close correspondence with the experimental measurements, indicating a strong agreement between the two. In simulations of anisotropic grain growth, the values of GB energy and mobility are correlated with the angular disparity between GBs. The simulation results demonstrated that the growth rate of U3Si2 can be influenced by both the energy anisotropy and mobility anisotropy of GBs. Furthermore, the anisotropy in mobility results in a greater prevalence of low-angle GB distribution in comparison to high-angle GBs. However, the energy anisotropy of GBs does not impact the frequency distribution of the angle difference between GBs.

One-pot hydrothermal synthesis of transition metal sulfides-decorated CuS microflower-like structures for electrochemical CO2 reduction to CO

Electrochemical CO2 reduction (ECR) to value-added products is regarded as a sustainable strategy to mitigate global warming and energy crisis, and designing highly efficient and robust catalysts is essential. In this work, transition metal sulfides (TMS)-decorated CuS microflower-like structures were prepared via the one-pot hydrothermal synthesis method for ECR to CO, and the influence of TMS doping on ECR performance was demonstrated. Characterization of the catalysts was performed using XRD, FESEM-EDS, N2 physisorption, and XPS, revealing the successful loading of TMS, the formation of microflower-like architectures and the generation of sulfur vacancies. Electrochemical tests demonstrated that doping ZnS, Bi2S3, CdS and MoS2 improved the intrinsic CO2 reduction activity of the CuS catalyst. Particularly, the MoS2-CuS composite catalyst with imperfect petal-like structure showed uniform distribution of edge Mo sites, which worked synergistically with the formed grain boundaries (GBs) and undercoordinated S vacancy sites in promoting CO2 activation, stabilizing *COOH adsorption, facilitating *CO desorption, and lowering the energy barrier of the potential-limiting step for improved CO selectivity. The MoS2-CuS catalyst achieved a maximum CO selectivity of 83.2% at –0.6 V versus the reversible hydrogen electrode (RHE) and a high CO cathodic energetic efficiency of 100%. At this potential, the catalyst maintained stable catalytic activity and CO selectivity during a 333-min electrolysis process. The findings will offer a promising avenue for the development of efficient and stable catalysts for CO production from ECR.

Integrated model for simulating Coble creep deformation and void nucleation/growth in polycrystalline solids - Part I: Theoretical framework

This study proposes an integrated model for simulating Coble creep deformation and void nucleation/growth in a 3D polycrystalline solid. Part I of the paper provides a theoretical framework for the proposed model. A representative volume element approach is employed to predict the effects of 3D polycrystalline morphology. The model comprises two distinct but interconnected stages: deformation and void nucleation/growth. The deformation stage of the proposed model comprises two sub-models: grain boundary (GB) migration and GB diffusion. The void nucleation/growth stage is composed of three consecutive calculations: void nucleation, void growth, and postprocessing. The process simulated in the void nucleation/growth stage is driven by relative GB velocity of the respective GBFs and diffusional fluxes between adjacent GBFs, which are provided from the deformation stage. The void nucleation rate is quantified using the relative GB velocity, and the initial void size is determined based on the stability condition for void existence derived from Helmholtz free energy. The void growth rate is evaluated by the atomic diffusion on the GBF and the surface of each void.

Grain boundary segregation for the Fe-P system: Insights from atomistic modeling and Bayesian inference

In this work we re-assess experimental data for grain boundary (GB) segregation of P in bcc Fe with thermodynamic and statistical methods. The data are based on Auger-Electron-Spectroscopy (AES) measurements which have provided P GB concentrations for various bulk contents and temperatures for ferrite. While in the previous investigations of this system a single-site McLean equation was used to extract segregation enthalpy and entropy, we employ multi-site segregation models as suggested by atomistic simulations. We use a recently introduced methodology based on inter-atomic potentials to calculate the segregation energy spectrum, as well as vibrational entropy and solute-solute interactions of P in polycrystalline Fe, thereby obtaining a three-dimensional distribution of energy, entropy and interactions. Using this trivariate distribution we predict P GB concentrations and compare them to the experimental measurements. Furthermore, we calibrate the parameters of physical models of increasing complexity to the experimental data with an inverse modeling approach based on Bayesian inference. While it is not possible to seamlessly link the results from AES to atomistic modeling, our investigation provides significant new insights for thermodynamic modeling of GB segregation. The vibrational entropy deduced from experiment differs from physics based atomistic simulations even when taking the spectral nature of energy, entropy and interactions into account. However, the correlations of the quantities are in good agreement when considering the trivariate model. Our investigation highlights the need for new and more accurate experimental datasets of GB segregation.

Enhanced mechanical properties and electromagnetic interference shielding effectiveness in Mg‐6Zn‐1Y‐1La‐0.5Zr alloy sheet by hot deformation

Striking a balance between the mechanical properties and electromagnetic interference shielding effectiveness (EMI SE) of Mg alloys stands as a critical concern within the realm of electronics and communications. This study endeavors to optimize the mechanical properties and EMI SE of Mg alloy sheets through a combination of extrusion and rolling (E-R). OM, SEM, XRD, EBSD, and TEM obtained the microstructures of Mg‐6Zn‐1Y‐1La‐0.5Zr alloys under extrusion and different rolling strain treatments, and the effects of the microstructures on the mechanical properties and EMI SE were revealed. The microstructure of the as-extruded Mg‐6Zn‐1Y‐1La‐0.5Zr (abbreviated as ZKL611K) alloy exhibited a distinct bimodal microstructure, with refined dynamically recrystallized (DRXed) grains surrounding coarse unDRXed regions. Subsequent rolling treatments induced a decrease in the aspect ratio of the unDRXed regions, a rapid reduction of DRXed grains, and the accumulation of dislocations within the as-rolled alloy. Statistical analysis of mechanical properties and EMI SE revealed that an optimal balance in the sheets subjected to “extrusion + 37 % rolling reduction”, yield strength (YS) of 319 MPa, ultimate tensile strength (UTS) of 375 MPa, and elongation of 12.3 %. Furthermore, the EMI SE ranged from 81 dB to 114 dB within the frequency range of 30–1500 MHz. However, further increments in rolling reduction adversely affected mechanical properties while improving EMI SE. The observed enhancement in mechanical properties can be primarily attributed to the synergistic effects of grain size, second phase, dislocations, low-angle grain boundaries (LAGBs), and texture. Meanwhile, the improved EMI SE can be mainly attributed to the diffuse distribution of the second phase at multiple scales and the modulation of the texture through E-R treatments.

Shear response of 〈110〉 asymmetric tilt grain boundaries in BCC-Fe

The present study investigated the effect of shear load on the 110 asymmetric tilt grain boundaries of body-centered cubic iron with molecular dynamics simulations. Various mechanisms like grain boundary (GB) sliding, shear-coupled migration, GB migration with rotation, GB decomposition, and GB deformation with dislocations emission were observed. Low-angle tilt GBs migrated with the help of two dislocation mechanisms, gliding and climbing. Two types of twin nucleation mechanisms were noticed in high-angle tilt GBs with varying tilt angles (η). For 16° ≤ η ≤ 112° and η ≥ 130° cases, dynamic self-adjustment of the atoms at the GBs caused GBs decomposition with the formation of twin boundaries (TBs). Newly nucleated TBs migrated under further applied shear load. For 112° < η < 130° case, TBs nucleated from the GB on either side of the misfit dislocations due to their localized core structure on the GB plane.

Modification and strengthening of recycled Al-Mg-Si-based alloy upon continuous rheological extrusion (CRE) forming

With global warming and resource scarcity, it is crucial to devise a simple, energy-efficient, and low-emission recycling method for aluminum alloys. In the recycled Al-Mg-Si-based alloy, the coarse α-Al dendrites, the long plate-like β-Al5FeSi phase and bulk Mg2Si phase significantly impair the microstructure and mechanical properties of the alloys. In this works, combined the continuous rheological extrusion (CRE) technology with the addition of CRE Al-5.0Ti-1.0B (wt%) refiner, the recycled Al-Mg-Si-based alloy wires at extrusion ratios (ER) of 3, 5 and 7 were prepared. The refinement of Mg2Si and β-Al5FeSi phases and the grain refinement caused by the continuous dynamic recrystallization (CDRX) behavior in the CRE process were discussed. The strengthening mechanism of recycled Al-Mg-Si-based alloy was revealed. The results showed that, CRE technology and CRE Al-5.0Ti-1.0B (wt%) refiner can effectively refine Mg2Si and β-Al5FeSi phases, and even to the nanometer level. At the same time, the increase of ER and the addition of CRE Al-5.0Ti-1.0B (wt%) can promote the transformation of low angle grain boundaries (LAGBs) to high angle grain boundaries (HAGBs), thereby promoting the occurrence of CDRX. In addition, the increase of dislocations and nanophases caused by the increase of ER and the addition of CRE Al-5.0Ti-1.0B can effectively refine CDRX grains. When 0.2 wt% CRE Al-5.0Ti-1.0B (wt%) refiner was added at ER of 7, the ultimate tensile strength (UTS), yield strength (YS) and elongation (EL) of recycled Al-Mg-Si-based alloy were 259.40 MPa, 140.80 MPa and 18.20%, respectively. Grain boundary strengthening and dislocation strengthening were the primary mechanisms in enhancing the YS of the recycled Al-Mg-Si-based alloy.

Effect of Calefaction and Stress Relaxation on Grain Boundaries/Textures of Cu–Cr–Ni Alloy

The Cu–Cr–Ni alloy is a key material for the manufacturing of connectors, which requires excellent resistance to stress relaxation. However, the inherent correlation among microstructure, texture, and properties is still unclear. In this study, we investigated the influence of calefaction and stress relaxation on the grain boundaries (GBs), textures, and properties of the Cu–Cr–Ni alloy. The results showed that calefaction and stress relaxation had opposite effects on GBs and textures. Calefaction led to a decrease in the proportion of low-angle grain boundaries (LAGBs), an increase in the Schmidt factor (SF) value of the grains, and a transition of texture from &lt;111&gt; to &lt;113&gt;. The grains with higher SF values were more susceptible to plastic deformation, which deteriorated the stress relaxation resistance. By comparison, stress relaxation led to an increase in the proportion of LAGBs, a decrease in SF values of the grains, and a transition of texture from &lt;113&gt; to &lt;111&gt; and &lt;001&gt;. After stress relaxation, the variation trends of the GBs and textures were consistent with those of other plastic deformations, indicating that stress relaxation can be verified by the variations in GBs and textures. Our findings provide a theoretical basis for improvements in stress relaxation resistance of the Cu-based alloys used in connector industry.

Influence of microstructure characteristics on the fatigue properties of 7075 aluminum alloy

Grain size and aging state are the two major microstructural factors affecting the mechanical properties of Al alloys. In this study, fatigue tests were conducted on 7075 Al alloy with varying grain sizes and aging states. The results indicate that both grain refinement and over aging (OA) treatment are beneficial for enhancing fatigue performance, with the 7075-Min alloy exhibiting the highest fatigue strength of 265.8MPa in the OA state. For grain size, a quantitative positive linear relationship was found between the reciprocal of the square root of the average grain size and the fatigue strength coefficient. Grain refinement optimizes the fatigue performance by increasing the fatigue strength coefficient. Compared to the under aging (UA) state, OA treatment promotes the growth and coarsening of precipitates at grain boundaries (GBs) and within the interior of grains. This change in precipitate morphology effectively facilitates dislocation cross slip, reducing fatigue damage caused by dislocation blocking. The impact of the precipitation-free zone (PFZ) on fatigue performance is negligible compared to that of the precipitates. This study clarifies the relationship between microstructure and fatigue performance, providing valuable insights for microstructure regulation to optimize the fatigue performance of Al alloys.

Atomic-scale insights into grain boundary-mediated plasticity mechanisms in a magnesium alloy subjected to cyclic deformation

Sustaining grain boundary (GB) plasticity is important to prevent the premature GB cracking during plastic deformation of hexagonal-close-packed (HCP) materials. Here, we investigated atomic structures of GBs and their deformation modes in the form of motion, twin nucleation, dislocation emission, and dissociation in a HCP magnesium alloy subjected to cyclic deformation, according to atomic-resolution observations and crystallographic analyses. Besides migration and sliding, symmetric tilt GBs tended to move to form local facets, resulting in generation of asymmetric tilt low-angle GBs (LAGBs) parallel to {101¯2} lattice plane or serrated asymmetric tilt high-angle GBs (HAGBs). Crystallographic analyses indicated that local facets of the resultant asymmetric tilt GBs were often parallel to {101¯2} plane, basal and/or prismatic planes of adjacent grains. Interestingly, abundant {101¯2} twin embryos and recrysatllized nanograins nucleated from local facets of the asymmetric tilt GBs, accompanying with emission of arrays of basal 〈a〉 dislocations. A {101¯2} twin lamella along a tilt LAGB could be formed either by the coalescence of {101¯2} twin embryos, or by the combination of recrystallized nanograins, followed by {101¯2} twin nucleation from triple junctions of GBs and twin growth. Furthermore, the twin lamella could be formed through dissociation of one tilt LAGB into two tilt HAGBs, followed by {101¯2} twin nucleation from the HAGBs and triple junctions of GBs. Importantly, activation of GB deformation modes mentioned above can release local stress concentrations at GBs and sustain the ability of GB-mediated plasticity, playing important roles in plastic deformation and mechanical properties of HCP materials.

Analysis of mechanism for effectively coercivity increment in (Nd, Ce)-Fe-B diffusion magnets

In this work, we explore how Ce in (Nd, Ce)-Fe-B magnet optimizes the microstructure of the base magnet, and enhances Grain Boundary Diffusion (GBD) of Dy. As Ce/total rare earth (TRE) content increases from 0 wt% to 16.95 wt%，the coercivity of the base magnets decreased by 24.93 %. However, lower-melting-point Ce element tended to distribute in the grain boundaries (GBs), and the thickness of the GBs layer increased from 2.46 nm to 5.54 nm. This provided more pathways for the subsequent GBD. Importantly, the diffusion depth of Dy element increased, and more core-shell structure formed as Ce increased. It led to a higher coercivity increment. Compared to GBD magnets without Ce, the coercivity increment of GBD magnets with Ce/TRE = 16.95 wt% increased by 39.54 %.

Microstructure and performance of AlCoCrFeNiCu(CeO2)X high-entropy alloy coatings by plasma cladding

AlCoCrFeNiCu(CeO2)X (x=0 wt%, 0.3 wt%, 0.6 wt%, 0.9 wt%, and 1.2 wt%) HEA coatings were applied via plasma cladding technology to a 35CrMo steel surface in this investigation. Electron back-scattering diffraction (EBSD), transmission electron microscopy (TEM), scanning electron microscopy (SEM), and X-ray diffraction (XRD) were used to analyze the phase composition and microstructure of the coatings. A microhardness meter, a nanoindenter, a wear test machine, and an electrochemical station were used to assess the coating performance. The findings demonstrate that the phase composition of the coatings is unaffected by the addition of CeO2, with all coatings consisting of FCC and BCC phases. CeO2 was added to the coatings to refine their grain size and increase their proportion of high angle grain boundaries (HAGBs), BCC phase content, and geometrically necessary dislocation (GND) density. These improvements led to significant increases in the microhardness and wear resistance of the coatings. The 0.3 wt% CeO2 coating has the best corrosion resistance, which is caused by a number of factors including the element distribution, grain size, content of each phase, and phase distribution of the coatings. The corrosion resistance of the coating increases and then decreases nonlinearly with increasing CeO2 content.

The improvement of deformability in AA7075 alloy through cryogenic treatment and its correlation with microstructural evolution and FE modelling

Cryogenic treatment has high potential for improving the deformation behavior through the recrystallization at a low temperature. In this work, true stress–strain curves were obtained via compression tests to understand the deformation behavior of an AA7075 under cryogenic conditions. Results showed a significant improvement in the flow stress of AA7075, increasing from 260 to 560 MPa at the yield point. The strain hardening exponent (n) also increased from 0.25 to 0.35 after deformation at cryogenic temperatures. The presence of Al2CuMg phase influenced the deformation texture of the tested aluminum alloy, resulting in more elongated grains and fine sub-grains after deformation at cryogenic temperatures, due to the hindered recrystallization. Microstructure evolution after deformation at room and cryogenic temperatures was investigated using EBSD technique to characterize texture and recrystallized grains. The results indicated that the spacing of the high-angle grain boundaries (HAGBs) in the sample deformed at room temperature was slightly larger than in the cryogenically treated sample. The alloy deformed at the cryogenic temperature exhibited a higher strain hardening exponent (n = 0.35) compared to room temperature deformation (n = 0.25). Furthermore, finite element analysis supported the experimental findings, showing that the Plastic Equivalent Strain (PEEQ) of the model tested at cryogenic temperature was higher than at room temperature, attributed to grain refinement during low-temperature deformation. The calculated effective stress responses at cryogenic temperatures for the investigated flow stress aligned well with the experimental results. These new aspects and mechanisms of deformation of aluminum alloys at cryogenic temperatures can improve the formability of high-strength alloys in the future production of more complex and integrated lightweight components.

Effect of grain structure on the magnetic properties of AlNiCo 8 alloys

AlNiCo alloy has gained popularity again in recent years due to its good corrosion resistance, affordability, and superior performance at high temperature. However, the lower magnetic properties of AlNiCo limit its wide variety of applications. Directional solidification process is a key process that affects the properties of AlNiCo alloy. During the solidification process, grains with various structures are formed due to the difference of cooling rate at different positions of the ingot. As the cooling rate slows down, the average grain size gradually increases, and orientation degree of the grains becomes better, resulting in the increase of coercivity (Hc) and remanence (Br). Therefore, the top sample has the best Hc and Br, the bottom is the worst, and the middle is between the two. It is found that when the average grain size increases, the percentage of transverse grain boundaries and high angle grain boundaries (HAGBs) decrease, the truncated α1 phase decreases, and the Hc rises, whereas the magnetic moment along the easy-axis direction is not affected by the external magnetic field when the grain orientation coincides, and the Br value increases, and the Br value increases. Large and highly oriented grains are associated with excellent performance, providing a new method to enhancing magnetic properties by regulating the grain structure.

Grain boundary engineering: An emerging pathway toward efficient electrocatalysis

AbstractElectrochemical transformation processes involving carbon, hydrogen, oxygen, nitrogen, and small‐molecule chemistries represent a promising means to store renewable energy sources in the form of chemical energy. However, their widespread deployment is hindered by a lack of efficient, selective, durable, and affordable electrocatalysts. Recently, grain boundary (GB) engineering as one category of defect engineering, has emerged as a viable and powerful pathway to achieve improved electrocatalytic performances. This review presents a timely and comprehensive overview of recent advances in GB engineering for efficient electrocatalysis. The beneficial effects of introducing GBs into electrocatalysts are discussed, followed by an overview of the synthesis and characterization of GB‐enriched electrocatalysts. Importantly, the latest developments in leveraging GB engineering for enhanced electrocatalysis are thoroughly examined, focusing on the electrochemical utilization cycles of carbon, hydrogen, oxygen, and nitrogen. Future research directions are proposed to further advance the understanding and application of GB engineering for improved electrocatalysis.image

Effect of grain boundary on the ignition and flame propagation mechanisms of TC11 alloy in oxygen-enriched environment

Grain boundaries (GBs) were known as a kind of common defects, but their impact on metal combustion was unclear. This study discovered that when the TC11 alloy's grain size reduced, the critical temperature and oxygen pressure for ignition dropped and the burning velocity accelerated. A modified Frank-Kamenetskii model demonstrated a well match to the relationship between grain size and ignition temperature, and the GBs showed a lower activation energy for ignition than the intragrain. The primary processes via which GBs influenced the kinetics of combustion were the peritectic reaction between Ti and O and the intergranular diffusion of alloying elements.