Grain Boundaries Research Articles

Enhanced CO2-to-CH4 conversion via grain boundary oxidation effect in CuAg systems

The authentic active sites of oxide-derived copper (OD-Cu), namely grain boundaries (GBs) and oxidized Cuδ+ species, is still debatable, and their role in governing CH4 conversion remains unclear. Herein, this study answers these questions using bimetallic catalysts by novel electro-shock strategy with controllable GBs for the oxidization of Cuδ+ species by modulating Ag loading. The Ag enrichment at the GBs facilitates the bonding of oxygen with the uncoordinated Cu atoms, resulting in GB oxidation effect. The obtained CH4 selectivity is twice that of GBs or nanoalloy effect. The enhanced performance is attributed to the stable Cuδ+ species and unique electron transfer mechanism from GB oxidation structure. Operando attenuated-total-reflection Fourier-transform-infrared-spectroscopy unveils the reaction pathway of CO2-to-CH4 and the sluggish reversible quenching processes of intermediates. Theoretical calculations indicate that the weak *CO adsorption on GB oxidation structure facilitates *CO hydrogenation, promoting CO2-to-CH4 conversion.

A method for determining efficiency parameters based on efficiency-quality graph in incremental sheet forming

This study reveals the mechanisms by which efficiency parameters affect surface quality, mechanical properties, and configuration offset in incremental sheet forming (ISF), focusing on surface morphology and microstructural evolution. By constructing an efficiency-quality graph, a method is developed to determine efficiency parameters that balance quality and efficiency synergistically. The results show that increasing Z and decreasing v intensify plowing and adhesion effects at the interface, degrading surface quality and enriching the presence of {001}<100> Cube and {112}<111> Copper textures, while the cross-sectional crystal orientation remains unaffected. Additionally, increasing Z enlarges grain size and reduces high-angle grain boundaries (HAGBs), amplifying micro-stress and defects, which deteriorates mechanical properties and increases configuration offset. Conversely, increasing v has minimal impact on mechanical properties but significantly increases configuration offset due to the rise in HAGBs, micro-stress, and defects. The efficiency-quality graph elucidates the complex synergistic relationship between forming efficiency and comprehensive quality of the formed parts, and the optimal efficiency parameters are identified by considering the priority order of different quality dimensions. Specifically, when prioritizing surface quality and hardness, the optimal parameters are Z=0.1mm and v=5000mm/min; when prioritizing configuration offset, the optimal parameters are Z=0.1mm and v=1000mm/min. Therefore, this study provides a comprehensive method for evaluating efficiency parameters in incremental sheet forming, emphasizing the importance of balancing efficiency with quality.

Influence of post-weld rolling and artificial aging on microstructure and mechanical properties of friction stir welded 2195-T4 Al-Li alloy joints

Fiction stir welding (FSW) of a naturally aged (T4) 2195 Al-Li alloy was conducted to study the effect of post-weld artificial aging (AA) and rolling+artificial aging (R+AA) on microstructure and mechanical properties of the FSW joints. Grain features were analyzed by electron back scattered diffraction (EBSD) technology, and precipitates were characterized using transmission electron microscopy (TEM) along [011]Al and [001]Al zone axes. Mechanical properties of the joints were evaluated through micro-hardness and tensile testing. The results indicate that grain development, including grain orientation, grain boundary components and dislocation density, varies within different regions of the As-welded joints due to complicated thermal-mechanical history. The alloying elements mostly exist as Guinier-Preston zones in the base material (BM) with a few formations of δ'/β', and slightly precipitate into T1 in the heat affected zone (HAZ), form σ in the thermal-mechanical affected zone (TMAZ), as well as develop T1 and S' in the nugget zone (NZ) after FSW. The lowest hardness zone (LHZ) exhibits elevated precipitation levels, generating coarse T1 and grain boundary precipitates with evident σ and precipitate free zone. The overall precipitation level of the As-welded joints remains minor, resulting in a slight decrease in hardness at the LHZ. Post-weld AA promotes many T1 formations, enhancing the joint strength and hardness. As a result, the ultimate tensile strength (UTS) of the joints increases from 440 MPa to 506.5 MPa, while the elongation decreases from 13.5% to 3.4%. Furthermore, hardness profiles transform from a low-amplitude wave curve to a high-amplitude W-shaped curve, generating a significant LHZ due to the minimal precipitation of T1. Pre-rolling deformation can enhance dislocation density and low angle grain boundaries (LAGBs), promoting the nucleation of high-density, fine T1 during artificial aging, and especially improves precipitation ability of the LHZ, leading to an elevated hardness increment in the region after AA. Compared to the Joint-AA, both strength and elongation of the Joint-R+AA increase, obtaining 530.5 MPa and 3.9%, respectively.

In-situ EBSD study of the active slip systems and substructure evolution in a medium-entropy alloy during tensile deformation

Electron backscatter diffraction (EBSD) coupled with in-situ tensile loading is powerful for investigating the microstructural evolution of alloys. Thermo-mechanically treated f.c.c. medium-entropy alloys (MEAs) typically have high densities of annealing twin boundaries (ATBs), which can not only strengthen but also toughen the MEA via interacting with dislocations. However, the evolution of ATBs and other substructures in plastically-deformed MEA has not yet been revealed. Plastic deformation involving dislocation evolution, active slip systems, lattice rotation, boundary transformation, and grain subdivision in a polycrystalline MEA Ni41.4Co23.3Cr23.3Al3Ti3V6 was studied using in-situ EBSD. The slip was accompanied by heterogeneous lattice rotation among grains and within grains, where inhomogeneous plasticity was accommodated by geometrically-necessary dislocations (GNDs). Both GND and low-angled boundaries (LABs) densities substantially increased with progressive strain, which was mainly concentrated in sites approaching ATBs or grain boundaries (GBs). Located stress, lattice rotation, or curvature caused a loss in the coherence of ATBs, which resulted in integrity loss with increasing strain and promoted a decrease in density by 60 %. Further, lattice rotation incompatibility due to constraints from neighboring grains leads to grain fragmentation into various misorientated volumes, which were separated by LABs or high-angle boundaries (HABs). The grain orientation angle increased with progressive strain and crystallographic 〈111〉 orientation gradually spread toward a tensile direction. Slip systems with maximum Schmid factor were activated first at ε ≥ 3.9 %, which is almost the same with experimental slip traces. Both single slip and double slip occurred during plasticity, where straight slip traces tend to curve due to lattice curvature. Slip transfers are not only controlled by geometric compatibility factor, which can occur between some neighboring grains with low geometric compatibility factor but high Schmid factor.

Simulation and experimental investigation of grain structure, residual stress,γ′ phases in single crystal blade

Ni-based superalloy turbine blades have been required components in contemporary aero-engine. Knowing the solidification behavior, residual stress at grain defects, and microstructure of directionally solidified turbine blades is a required condition to improve the service performance of directionally solidified turbine blades. Firstly, the temperature field evolution of the blade under the withdrawal rate of 3 mm/min was studied. The deviations in temperature distribution in the high-rate solidification (HRS) procedure, particularly near the platform, can lead to transformations in the mushy zone, potentially resulting in solidification defects. Secondly, the grain growth of hollow turbine blades was calculated using the cellular automaton-finite factor method. The simulated grain framework was essentially consistent with experimental results. A method of process bar addition based on physical field distribution is also proposed. This method involves designing a combination of one Y-shaped and two I-shaped rods to decrease the cooling rate of blade edges and eliminate stray grains (SG). Then, the residual stress distribution at the locations of stray grains and low-angle grain boundaries (LAGBs) was analyzed before and after the addition of process bars. Finally, discussions were held regarding the distribution of γ′ phases in grain defects and blades.

The Effect of Grain Boundary Misorientation on Hydrogen Flux Using a Phase‐Field‐Based Diffusion and Trapping Model

Understanding hydrogen–grain boundary (GB) interactions is critical to the analysis of hydrogen embrittlement in metals. This work presents a mesoscale fully kinetic model to investigate the effect of GB misorientation on hydrogen diffusion and trapping using phase‐field‐based representative volume elements (RVEs). The flux equation consists of three terms: a diffusive term and two terms for high and low angle grain boundary (H/LAGB) trapping. Uptake simulations show that decreasing the grain size results in higher hydrogen content due to increasing the GB density. Permeation simulations show that GBs are high‐flux paths due to their higher enrichment with hydrogen. Since HAGBs have higher enrichment than LAGBs, due to their higher trap‐binding energy, they generally have the highest hydrogen flux. Nevertheless, the flux shows a convoluted behavior as it depends on the local concentration, alignment of GB with external concentration gradient as well as the GB network connectivity. Finally, decreasing the grain size resulted in a larger break‐through time and a larger steady‐state exit flux.

Molecular Dynamics Analysis of Hydrogen Diffusion Behavior in Alpha-Fe Bi-Crystal Under Bending Deformation

The hydrogen embrittlement (HE) phenomenon occurring in drawn pearlitic steel wires sometimes results in dangerous delayed fracture and has been an important issue for a long time. HE is very sensitive to the amount of plastic deformation applied in the drawing process. Hydrogen (H) atom diffusion is affected by ambient thermal and mechanical conditions such as stress, pressure, and temperature. In addition, the influence of stress gradient (SG) on atomic diffusion is supposed to be crucial but is still unclear. Metallic materials undergoing plastic deformation naturally have SG, such as residual stresses, especially in inhomogeneous regions (e.g., surface or grain boundary). In this study, we performed molecular dynamics (MD) simulation using EAM potentials for Fe and H atoms and investigated the behavior of H atoms diffusing in pure iron (α-Fe) with the SG condition. Two types of SG conditions were investigated: an overall gradient established by a bending deformation of the specimen and an atomic-scale local gradient caused by the grain boundary (GB) structure. A bi-crystal model with H atoms and a GB structure was subjected to bending deformation. For a moderate flexure, bending stress is distributed linearly along the thickness of the specimen. The diffusion coefficient of H atoms in the bulk region increased with an increase in the SG value. In addition, it was clearly observed that the direction of diffusion was affected by the existence of the SG. It was found that diffusivity of the H atom is promoted by the reduction in its cohesive energy. From these MD results, we recognize an exponential relationship between the amount of H atom diffusion and the intensity of the SG in nano-sized bending deformation.

Highly responsive gas sensors based on grain boundary–rich polycrystalline few-layer MoS2 films for NO2 detection

Abstract This study addresses the issues of insufficient sensitivity and poor reversibility for NO2 detection by successfully fabricating a sensor based on uniform and high-quality few-layer MoS2 polycrystalline material using chemical vapor deposition. This approach aims to improve the response of the sensor by exploiting the abundance of grain boundary (GB) defects in polycrystalline MoS2 membranes. Comprehensive surface morphology analysis of the few-layer MoS2 polycrystalline films was conducted using microscopy, Raman spectroscopy, and X-ray photoelectron spectroscopy to characterize their chemical composition and properties. Subsequently, evaluation of 1–100-ppm NO2 was conducted at room temperature (25°C). The results show excellent performance of the sensor, with a response range of 11–82.24. Notably, under ultraviolet excitation at room temperature, this sensor exhibits a response time of only 41 s to 50 ppm of NO2 with complete recovery and improved sensitivity, maintaining reliable stability over eight weeks. Furthermore, the findings reveal that the sensor demonstrates high selectivity toward NO2 gas with limit of detection and limit of qualification values of 10 and 34 ppb, respectively. Owing to the abundant adsorption sites provided by GB defects in polycrystalline thin films, the response performance of the sensor is effectively enhanced. This study provides valuable insights into the future design and development of high-performance NO2 gas sensors.

Role of Ti-6Al-4V addition in modulating crack sensitivity, solidification microstructure and mechanical properties of laser powder bed fused γ-TiAl alloys

Solidification cracking is still the primary challenge for laser powder bed fusion (LPBF) without high-temperature preheating of γ-TiAl alloys. Circumventing the peritectic reaction and promoting β-solidification by adding the β-stablizing elements have been proved to be an effective way to suppressing the crack formation. In this work, we attempted a more economic method to realize β-solidification via the addition of Ti-6Al-4V (TC4) pre-alloyed powder. The results showed that the TC4 addition successfully changed the solidification path from L→L+β→L+α→α→α+γ→α2+γ to L→L+β→β→α+β→α2+β/B2. As a result, the solidified microstructure was mainly comprised of primary α2 phase and small amount of retained β/B2 (8.5 %) phase distributed along the molten pool boundary. What's more important was that the TC4 addition led to a 44.6 % decrease in crack density. Contributions to low hot cracking sensitivity were found to mainly origin from the relatively lower cooling rate, higher fraction of low-angle grain boundaries (LAGBs) and smaller dendrite coalescence undercooling induced by the TC4 addition. Besides, the smaller temperature interval (10.63K) in the final solidification stage (0.90<fs < 0.94) for the TC4/TiAl alloy was also conducive to facilitate the liquid feeding and dendrite coalescence.

Enhanced Performance of Close-Spaced Sublimation Processed Antimony Sulfide Solar Cells via Seed-Mediated Growth.

Antimony sulfide (Sb2S3) has attracted much attention due to its great prospect to construct highly efficient, cost-effective, and environment-friendly solar cells. The scalable close-spaced sublimation (CSS) is a well-developed physical deposition method to fabricate thin films for photovoltaics. However, the CSS-processed absorber films typically involve small grain size with high-density grain boundaries (GBs), resulting in severe defects-induced charge-carrier nonradiative recombination and further large open-circuit voltage (VOC) losses. In this work, it is demonstrated that a chemical bath deposited-Sb2S3 seed layer can serve as crystal nuclei and mediate the growth of large-grained, highly compact CSS-processed Sb2S3 films. This seed-mediated Sb2S3 film affords reduced defect density and enhanced charge-carrier transport, which yields an improved power conversion efficiency (PCE) of 4.78% for planar Sb2S3 solar cells. Moreover, the VOC of 0.755V that is obtained is the highest reported thus far for vacuum-based evaporation and sublimation processed Sb2S3 devices. This work demonstrates an effective strategy to deposit high-quality low-defect-density Sb2S3 films via vacuum-based physical methods for optoelectronic applications.

Direct observation of space-charge-induced electric fields at oxide grain boundaries.

Space charge layers (SCLs) formed at grain boundaries (GBs) are considered to critically influence the properties of polycrystalline materials such as ion conductivities. Despite the extensive researches on this issue, the presence of GB SCLs and their relationship with GB orientations, atomic-scale structures and impurity/solute segregation behaviors remain controversial, primarily due to the difficulties in directly observing charge distribution at GBs. In this study, we directly observe electric field distribution across the well-defined yttria-stabilized zirconia (YSZ) GBs by tilt-scan averaged differential phase contrast scanning transmission electron microscopy. Our observation clearly reveals the existence of SCLs across the YSZ GBs with nanometer precision, which are significantly varied depending on the GB orientations and the resultant core atomic structures. Moreover, the magnitude of SCLs show a strong correlation with yttrium segregation amounts. This study provides critical insights into the complex interplay between SCLs, orientations, atomic structures and segregation of GBs in ionic crystals.

Introduction of the distribution of Cs in Cu(In,Ga)Se2 photovoltaic absorbers following post-deposition treatment with CsF

In recent years, the device performance of Cu(In,Ga)Se2 (CIGS) solar cells has been improved by heavy alkali element post-deposition treatment (Alkali-PDT). Therefore, it is of great significance to study the mechanism of enhancing CIGS device performance through Alkali-PDT. One aspect to be studied is the distribution of heavy alkali elements in the absorber. In this work, the distribution of the heavy alkali element Cs in the absorber after post deposition treatment of CsF (CsF-PDT) and its effect on the device performance are investigated. The experimental results indicate that Cs can enter both the grain interior (GI) and grain boundaries (GB) via the Cu vacancy (VCu). By comparing the distribution of Na and Cs in the film, it can be noticed that Na is mainly distributed at the GB, while Cs is not differently distributed between the GB and GI. This is mainly due to the fact that the presence of Na at GB inhibits the accumulation of Cs there. The distribution of Cs is beneficial in improving the device’s performance by passivating defects, such as InCu.

Developing High-Performance Ceramics from Multicomponent Grain Boundary Entropy Design.

Grain boundary (GB) glassy phase often results in poor ceramic performances. Here, a Multicomponent Grain Boundary Entropy (MGBE) descriptor extracted from high-throughput first-principle calculations is proposed to capture the nature of high-entropy GB phases in ceramics. In a Si3N4 ceramic model system, MGBE is found to have a direct correlation with GB phase crystallinity, element segregation, and formation of pores. The predicted highest MGBE sintering additive combination (MgO-Y2O3-Er2O3-Yb2O3) leads to high-performance ceramics of homogenous microstructure and pure GB (YErYb)2Si3O3N4 phase without observable glassy film. Conversely, low MGBE additives result in a substantial amount of GB glassy phase, element segregation, and pore clusters. The MGBE descriptor can make a rapid screening of multicomponent sintering additives, offering a novel approach for rational designing of ceramics with targeted microstructure and performances.

Probing degradation at solid-state battery interfaces using machine-learning interatomic potential

Solid-state batteries featuring fast ion-conducting solid electrolytes are promising next-generation energy storage technologies, yet challenges remain for practical deployment due to electro-chemo-mechanical instabilities at solid-solid interfaces. These interfaces, which include homogeneous/internal interfaces such as grain boundaries (GBs) and heterogeneous/external interfaces between solid-electrolyte and electrode materials, can impede Li-ion transport, deteriorate performance, and eventually lead to cell failure. Here we leverage large-scale molecular simulations, enabled by validated machine-learning interatomic potentials, to directly probe the onset of interfacial degradation at the garnet Li7La3Zr2O12 (LLZO) solid-electrolyte/LiCoO2 (LCO) cathode interface. By surveying different interfacial geometries and compositions, it is found that Li-deficient interfaces can lead to severe interfacial disordering with cation mixing and Co interdiffusion from LCO into LLZO. By contrast, Li-sufficient interfaces are less disordered, although elemental segregation with local ordering is observed. As a consequence of Co interdiffusion, Co-rich regions are formed at the GBs of LLZO due to cation segregation and trapping effects. This behavior is independent of the GB tilting axis, degree of disorder at the GBs, and Co concentration, which implies Co clustering at GBs is a general phenomenon in polycrystalline LLZO and can dictate its overall transport and mechanical properties. Our findings elucidate the underlying fundamental mechanisms that give rise to experimentally observed physicochemical properties and provide guidelines for interface design that can mitigate interfacial degradation and improve cycling performance.

Stress relaxation aging of 7050 aluminum alloy under elastic and plastic loadings: A perspective from the geometrically necessary dislocations

Aerospace integral panels with large curvature often experience not only elastic loading but also plastic loading during creep age forming. However, the stress relaxation aging behaviors and mechanisms under loading stresses ranging from elastic to plastic regions, especially from the perspective of geometrically necessary dislocations (GNDs), have not been fully explored. The stress relaxation aging (SRA) behavior of 7050 aluminum alloy under elastic (200/250/300 MPa) and plastic loadings (350/400 MPa) are studied by uniaxial SRA, hardness and tensile tests, and corresponding mechanisms are clarified by Electron Back Scatter Diffraction (EBSD) tests and transmission electron microscopy (TEM) observations. Regardless of the loading stress, the stress relaxation of 7050 alloy shows a typical two-stage behavior (rapid stress reduction and stable stress relaxation rate). The second stage of stress relaxation under elastic loading shows an abnormal stress rebound, while the stress continuously decreases under plastic loading, and hardness and yield strength at 350 MPa are lower than that at 200 MPa during SRA. These results are attributed to strong dislocation pinning from small and dense precipitates at elastic loading and dislocations shearing large and sparse precipitates at plastic loading, respectively. Furthermore, both the stress reduction and its ratio increase with the increase of initial stress. GNDs contribute to the formation of low-angle grain boundaries (LAGBs) and accumulate at the LAGBs intersection to coordinate grain orientation for creep deformation. Compared to elastic loading, plastic loading promotes global growth of intragranular precipitates by elastic stress field and local heterogeneous nucleation and coarsening of precipitates at subgrain boundaries by more GNDs.

Microstructure, MAO performance, interfacial characteristics and corrosion behavior of FSW joint of Al–Mg-Sc alloy

The microstructure evolution, micro-arc oxidation (MAO) performance, and corrosion behavior of Al–Mg-Sc alloy friction stir welded (FSW) joint were investigated. The microstructure observations indicated that compared with the base metal (BM), the stirring zone (SZ) and thermo-mechanical affected zone (TMAZ) showed notable grain defects and an enormous number of high angle grain boundaries (HAGBs). Additionally, a more conspicuous presence of non-uniform recrystallized grains and HAGBs was noticed in the thickness direction within the SZ. FSW process induced the precipitation of Al3Mg2 (β phase) at grain boundaries in the heat-affected zone (HAZ) of joint. The microstructural changes and precipitation induced by the FSW process influenced the electrical conductivity, resulting in the differences in micro-arc discharge in various zones of the FSW joint in MAO process, which in turn affected the thickness, porosity, and corrosion resistance of MAO ceramic film. HRTEM observation suggested that a transition layer composed of nanocrystalline and amorphous Al2O3 with average thickness of 2–4 nm was found at the film/substrate interface. Electrochemical tests suggested that a heterogeneous structure in various regions of FSW joint resulted in varying susceptibility to localized corrosion. HAZ/TMAZ had the worst anti-corrosion performance. After MAO treatment, the anti-corrosion performance of SZ and HAZ/TMAZ in FSW joint was significantly improved, especially SZ.

Crack analysis in laser powder bed fusion-fabricated 2195 Al-Li alloy: An in-depth examination of influential variables

Laser powder bed fusion (LPBF) of high-strength 2195 Al-Li alloys offers significant industrial potential, yet the process is hindered by a high susceptibility to hot cracking. This study systematically investigates the hot cracking mechanisms and the key processing parameters influencing crack formation in LPBF-fabricated 2195 Al-Li alloys. Extensive experimental analysis revealed that crack density is significantly affected by scanning velocity and laser power, with scanning velocity identified as the most critical factor through a neural network model and a crack susceptibility model. The study demonstrates that achieving crack-free samples requires extremely low scanning velocities, as higher velocities exacerbate crack formation, particularly at high-angle grain boundaries (HAGBs). The findings also highlight the limitations of preheating in reducing crack susceptibility, emphasizing the importance of precise control over processing parameters to mitigate cracking in LPBF-fabricated 2195 Al-Li alloys.

Post-Treating Grain Boundaries and Surface Defects by Long-Chain Polymer for Highly Efficient and Stable Perovskite Solar Cells.

Grain boundaries (GBs) and surface defects within perovskite films are inherent challenges that affect the photovoltaic performance of perovskite solar cells (PSCs. In this work, Nylon 11 (N11) is utilized, a long-chain polymer, for post-treating the GBs and surface defects within FAPbI3 films. The multifunctional groups of N11 exhibit unique passivation abilities, enabling self-regulation and selective correction of reverse-charged defects. Post-treating with N11 results in high-quality FAPbI3 films characterized by tight GBs and low surface defect density. Despite fabrication under full open-air conditions, the N11 post-treatment significantly enhances the power conversion efficiency (PCE) value of FAPbI3 PSCs, increasing it from the reference value of 21.89% to 23.54%. Importantly, the long alkyl chain present in N11 significantly enhances the humidity stability of the PSCs. Unencapsulated PSCs treated with N11 maintain 89% of their initial PCE after exposure to air with 30% relative humidity (RH) for 1000h, demonstrating resilience to elevated humidity levels. This work highlights the substantial improvement in the photovoltaic performance of PSCs achieved through the post-treatment with N11.

Dislocation Evolution in Cyclic-Loaded Cu Nanopillars with Different Configurations.

Small-sized metals generally exhibit unusual deformation responses subjected to cyclic loading, since their limited volume cannot effectively accommodate micro-sized dislocation patterns typically found in their bulk counterparts. Here, the cyclic behaviors in Cu nanopillars with different configurations are investigated using in situ transmission electron microscopy fatigue test. Dislocation tangles formed in single- and twinned-crystal nanopillars as a result of cycling-induced operations of multiple slip systems and further unpinning and absorption of pinned dislocations. While, nanopillars configured with low-angle grain boundary (LAGB) underwent the degradation and eventual decomposition of the LAGB due to the cycling-induced emission of grain boundarydislocations, which resulted in high-density mobile dislocations to withstand the cyclic loading. These findings contribute to a systematic and comprehensive understanding of the micro-mechanics of dislocation-related phenomena in the cyclic response of nanoscale metals.

The capacity of disclinated non-equilibrium GBs to accommodate point defects in tungsten

Experimental observations reveal that disclinated non-equilibrium grain boundaries (GBs) exist extensively in polycrystalline metals; however, the interaction between these GBs and irradiation-induced point defects is rarely reported. In the present work, Molecular statics simulation was used to evaluate the capacity of disclinated non-equilibrium GBs to accommodate point defects in tungsten. Simulation results showed that disclinated non-equilibrium GBs are more efficient sinks for point defects than their equilibrium counterparts because of long-range stress field around them. Continuous segregation of point defects will change the structure of the disclinated non-equilibrium GBs and leads to the GBs tending to relax to equilibrium state. According to theoretical calculation, the disclinated non-equilibrium GBs can absorb a large number of point defects before transforming into equilibrium state; therefore, disclinated non-equilibrium GBs have very strong capacity to accommodate point defects and can be used as strong defect sinks for developing radiation resistance materials.