Grain boundary engineering for enhancing intergranular damage resistance of ferritic/martensitic steel P92

Ferritic/martensitic(F/M)steel is widely used as a structural material in thermal and nuclear power plants.However,it is susceptible to intergranular damage,which is a critical issue,under service conditions.In this study,to improve the resistance to intergranular damage of F/M steel,a thermomechanical process(TMP)was employed to achieve a grain boundary engineering(GBE)microstructure in F/M steel P92.The TMP,including cold-rolling thickness reduction of 6%,9%,and 12%,followed by austenitization at 1323 K for 40 min and tempering at 1053 K for 45 min,was applied to the as-received(AR)P92 steel.The prior austenite grain(PAG)size,prior austenite grain boundary character distribution(GBCD),and connectivity of prior austenite grain boundaries(PAGBs)were investigated.Compared to the AR specimen,the PAG size did not change significantly.The fraction of coincident site lattice boundaries(CSLBs,3≤Σ≤29)and Σ3^(n) boundaries along PAGBs decreased with increasing reduction ratio because the recrystallization fraction increased with increasing reduction ratio.The PAGB connectivity of the 6%deformed specimen slightly deteriorated compared with that of the AR specimen.Moreover,potentiodynamic polarization studies revealed that the intergranular damage resistance of the studied steel could be improved by increasing the fraction of CSLBs along the PAGBs,indicating that the TMP,which involves low deformation,could enhance the intergranular damage resistance.

Thermodynamics-directed bulk/grain-boundary engineering for superior electrochemical durability of Ni-rich cathode

Introducing high-valence Ta element is an essential strategy for addressing the structu ral deterioration of the Ni-rich LiNi_(1-x-y)Co_(x)Mn_(y)O_(2)(NCM)cathode,but the enlarged Li/Ni cation mixing leads to the inferior rate capability originating from the hindered Li~+migration.Note that the non-magnetic Ti~(4+)ion can suppress Li/Ni disorder by removing the magnetic frustration in the transition metal layer.However,it is still challenging to directionally design expected Ta/Ti dual-modification,resulting from the complexity of the elemental distribution and the uncertainty of in-situ formed coating compounds by introducing foreign elements.Herein,a LiTaO_3 grain boundary(GB)coating and bulk Ti-doping have been successfully achieved in LiNi_(0.834)Co_(0.11)Mn_(0.056)O_(2) cathode by thermodynamic guidance,in which the structural formation energy and interfacial binding energy are employed to predict the elemental diffusion discrepancy and thermodynamically stable coating compounds.Thanks to the coupling effect of strengthened structural/interfacial stability and improved Li~+diffusion kinetics by simultaneous bulk/GB engineering,the Ta/Ti-NCM cathode exhibits outstanding capacity retention,reaching 91.1%after 400 cycles at 1 C.This elaborate work contributes valuable insights into rational dual-modification engineering from a thermodynamic perspective for maximizing the electrochemical performances of NCM cathodes.

Towards designing high mechanical performance low-alloyed wrought magnesium alloys via grain boundary segregation strategy:A review

Low-alloyed magnesium(Mg)alloys have emerged as one of the most promising candidates for lightweight materials.However,their further application potential has been hampered by limitations such as low strength,poor plasticity at room temperature,and unsatisfactory formability.To address these challenges,grain refinement and grain structure control have been identified as crucial factors to achieving high performance in low-alloyed Mg alloys.An effective way for regulating grain structure is through grain boundary(GB)segregation.This review presents a comprehensive summary of the distribution criteria of segregated atoms and the effects of solute segregation on grain size and growth in Mg alloys.The analysis encompasses both single element segregation and multi-element co-segregation behavior,considering coherent interfaces and incoherent interfaces.Furthermore,we introduce the high mechanical performance low-alloyed wrought Mg alloys that utilize GB segregation and analyze the potential impact mechanisms through which GB segregation influences materials properties.Drawing upon these studies,we propose strategies for the design of high mechanical performance Mg alloys with desirable properties,including high strength,excellent ductility,and good formability,achieved through the implementation of GB segregation.The findings of this review contribute to advancing the understanding of grain boundary engineering in Mg alloys and provide valuable insights for future alloy design and optimization.

Quantification of grain boundary effects on the geometrically necessary dislocation density evolution and strain hardening of polycrystalline Mg-4Al using in situ tensile testing in scanning electron microscope and HR-EBSD

In situ tensile testing in a scanning electron microscope(SEM)in conjunction with high-resolution electron backscatter diffraction(HR-EBSD)under load was used to characterize the evolution of geometrically necessary dislocation(GND)densities at individual grain boundaries as a function of applied strain in a polycrystalline Mg-4Al alloy.The increase in GND density was investigated at plastic strains of 0%,0.6%,2.2%,3.3% from the area including 76 grains and correlated with(i)geometric compatibility between slip systems across grain boundaries,and(ii)plastic incompatibility.We develop expressions for the grain boundary GND density evolution as a function of plastic strain and plastic incompatibility,from which uniaxial tensile stress-strain response of polycrystalline Mg-4Al are computed and compared with experimental measurement.The findings in this study contribute to understanding the mechanisms governing the strain hardening response of single-phase polycrystalline alloys and more reliable prediction of mechanical behaviors in diverse microstructures.

Atomistic study on the microscopic mechanism of grain boundary embrittlement induced by small dense helium bubbles in iron

The helium bubbles induced by 14 MeV neutron irradiation can cause intergranular fractures in reduced activation ferritic martensitic steel,which is a candidate structural material for fusion reactors.In order to elucidate the susceptibility of different grain boundaries(GBs)to helium-induced embrittlement,the tensile fracture processes of 10 types of GBs with and without helium bubbles in body-centered cubic(bcc)iron at the relevant service temperature of 600 K were investigated via molecular dynamics methods.The results indicate that in the absence of helium bubbles,the GBs studied here can be classified into two distinct categories:brittle GBs and ductile GBs.The atomic scale analysis shows that the plastic deformation of ductile GB at high temperatures originates from complex plastic deformation mechanisms,including the Bain/Burgers path phase transition and deformation twinning,in which the Bain path phase transition is the most dominant plastic deformation mechanism.However,the presence of helium bubbles severely inhibits the plastic deformation channels of the GBs,resulting in a significant decrease in elongation at fractures.For bubble-decorated GBs,the ultimate tensile strength increases with the increase in the misorientation angle.Interestingly,the coherent twin boundary∑3{112}was found to maintain relatively high fracture strength and maximum failure strain under the influence of helium bubbles.

Heterogeneities of grain boundary contact for simulation of laboratoryscale mechanical behavior of granitic rocks

From a practical point of view,grain structure heterogeneities are key parameters that control the rock response and still remains a challenge to incorporate in a quantitative manner.One of the less discussed topics in the context of the grain-based model(GBM)in the particle flow code(PFC)is the contact heterogeneities and the appropriate contact model to mimic the grain boundary behavior.Generally,the smooth joint(SJ)model and linear parallel bond(LPB)model are used to simulate the grain boundary behavior.However,the literature does not document the suitability of different models for specific problems.Another challenge in implementing GBM in PFC is that only a single bonding parameter is used at the grain boundaries.The aim of this study is to investigate the responses of a laboratory-scale specimen with SJ and LPB models,considering grain boundary heterogeneous and homogeneous contact parameters.Uniaxial and biaxial compression tests are performed to calibrate the response of Creighton granite.The stressestrain curves,volumetric dilation,inter-crack(crack in the grain boundary),and intra-crack(crack within the grain)development,and failure patterns associated with different contact models are examined.It was found that both the SJ and LPB models can reproduce the pre-peak behavior observed for a granitic rock type.However,the LPB model is unable to reproduce the post-peak behavior.Due to the large interlocking effect originating from the balls in contact and the ball size in the LPB model,local dilation is induced at the grain boundaries.This overestimates the volumetric dilation and residual shear strength.The LPB model tends to result in discontinuous inter-cracks and stress localization in the rock specimen,resulting in fine fragments at the rock surface during failure.

Non-isothermal retrogression kinetics for grain boundary precipitate of 7A55 aluminum alloy

The retrogression kinetics for grain boundary precipitate （GBP） of 7A55 aluminum alloy was investigated by transmission electron microscopy （TEM） observation. The results reveal that the coarsening behavior of GBP obeys “LSW” theory, namely, the cube of GBP average size has a linear dependence relation to retrogression time, and the coarsening rate accelerates at the elevated retrogression temperature. The GBP coarsening activation energy Qo of （115.2±1.3） kJ/mol is obtained subsequently. Taking the retrogression treatment schedule of 190℃, 45 min derived from AA7055 thin plate as reference, the non-isothermal retrogression model for GBP coarsening behavior is established based on “LSW”theory and “iso-kinetics” solution, which includes an Arrhenius form equation. After that, the average size of GBP r（t） is predicted successfully at any non-isothermal process T（t） when the initial size of GBP r0 is given. Finally, the universal characterization method for the microstructure homogeneity along the thickness direction of TA55 aluminum alloy thick plate is also set up.

Non-equilibrium grain-boundary segregation of Bi in Cu bicrystals

The observations of grain-boundary segregation of Bi in Cu bicrystals were analyzed. According to equilibrium grain boundary segregation （EGS） model and non-equilibrium grain-boundary segregation （NGS） model, respectively, the segregation kinetics of isothermal annealing at 500 ＆#176;C and that of isochronal annealing for 24 h of Bi in Cu bicrystals were investigated. By qualitative analysis and quantitative analysis, it is concluded that the grain-boundary segregation of Bi agrees well with the theory of NGS. Based on the kinetics model of NGS, some parameters that are useful to predicting and controlling the Bi-induced embrittlement in Cu alloys are calculated as follows：the diffusion coefficient of Bi-vacancy complexes Dc=7.8×10^-5exp[-1.46/（kT）];the apparent diffusion coefficient of Bi atoms Di^A=7.66×10^at＋bexp[–1.76/（kT）], where a=8.45×10^-8 and b=-13.37.

Grain boundary pre-precipitation and its contribution to enhancement of corrosion resistance of Al-Zn-Mg alloy

High temperature pre-precipitation （HTPP）took place in7005 alloy at various temperatures after solution treatment and itsinfluence on mechanical properties, corrosion behaviors and microstructure of the alloy was investigated using tensile test, intergranular corrosion （IGC） test, slow strain rate testing （SSRT）, together with microstructural examinations. It is found that Vickers hardness of the aged alloy decreases gradually with decreasing the HTPP temperature, and almost a reverse trend of electrical conductivity is found compared to the hardness changes. Depending on the changes, two HTPP temperaturesof 440 and 420℃ were chosen for comparative study. Results reveal that HTPP alloy tempers exhibit higher resistance to stress corrosion cracking （SCC） and IGC than none pre-precipitate one with an acceptable strength loss due to the substantial enhancement of distribution discontinuity of the coarse grain boundary precipitates （GBPs）, and the coarsening and interspacing effect on GBPs becomes more obvious with decreasing the pre-precipitation temperature.

COMPUTER SIMULATION OF GRAIN BOUNDARY SEGREGATION BEHAVIOR AND MECHANISMS OF STRENGTHENING OF Mg IN Ni-BASED SUPERALLOYS

This paper used EAM and static relaxation method to simulate the grain boundary segregation behavior of Mg in Ni-based superalloys. The results offer a better understanding in the strengthening mechanism of Mg addition in superalloys. The segregation of Mg increases the grain boundary cohesive bond and the vacancy formation energy, and decreases the mobility of grain boundary dislocation. It results in the retardation of creep voids initiation and growth.

Effect of grain boundary energy anisotropy on grain growth in ZK60 alloy using a 3D phase-field modeling

A three-dimensional(3D)multiple phase field model,which takes into account the grain boundary(GB)energy anisotropy caused by texture,is established based on real grain orientations and Read-Shockley model.The model is applied to the grain growth process of polycrystalline Mg(ZK60)alloy to investigate the evolution characteristics in different systems with varying proportions of low-angle grain boundary(LAGB)caused by different texture levels.It is found that the GB energy anisotropy can cause the grain growth kinetics to change,namely,higher texture levels(also means higher LAGB proportion)result in lower kinetics,and vice versa.The simulation results also show that the topological characteristics,such as LAGB proportion and distribution of grain size,undergo different evolution characteristics in different systems,and a more serious grain size fluctuation can be caused by a higher texture level.The mechanism is mainly the slower evolution of textured grains in their accumulation area and the faster coarsening rate of non-textured grains.Therefore,weakening the texture level is an effective way for implementing a desired homogenized microstructure in ZK60 Mg alloy.The rules revealed by the simulation results should be of great significance for revealing how the GB anisotropy affects the evolution of polycrystalline during the grain growth after recrystallization and offer the ideas for processing the alloy and optimizing the microstructure.

GRAIN BOUNDARY REORGANIZATION IN INTERMETALLIC COMPOUNDS NiAl AND FeAl

Computer simulation of grain boundaries(GB) was carried out in Fe and ordered alloys NiAl and FeAl with B2 superlattice. In this work symmetrical tilt grain boundaries =5[100](012) and = 5[100](013) are studied. The atomic interaction has been described by Morse empirical central- force potentials.The atomic structure and energy of GB were investigated by means of construction of -surface using full atomic relaxation by method of molecular statics. It is shown that = 5 tilt GBs in Fe, Ni3Al and NiAl have several steady states. Comparison of our results with geometrical model of coincidence site lattice (CSL) was carried out. GBs in model CSL are unstable, the stabilization is achieved by additional displacement at some vector along the plane of defect.

CALCULATION OF SECOND PHASE PARTICLE-GRAIN BOUNDARY INTERACTION RANGE

On the basis of the grain boundary equation by HeUman and corresponding analysis of Worner, this article deals with the interaction range between the second-phase particle （SPP） and grain boundary （GB） as viewed from the applicability of grain boundary equation. Also, a new expression describing the interaction range has been derived, which solves the problem in theory that the interaction range between SPP and GB can only be qualitatively analyzed previously. It is shown that given the interaction position between SPP and GB, the interaction range can be quantitatively determined by use of this expression.

Effects of initial grain size and strain on grain boundary engineering of high-nitrogen CrMn austenitic stainless steel

18 Mn18 Cr0.5 N steel with an initial grain size of 28–177 μm was processed by 2.5%–20% cold rolling and annealing at 1000°C for 24 h,and the grain boundary character distribution was examined via electron backscatter diffraction.Low strain(2.5%) favored the formation of low-Σ boundaries.At this strain,the fraction of low-Σ boundaries was insensitive to the initial grain size.However,specimens with fine initial grains showed decreasing grain size after grain boundary engineering processing.The fraction of low-Σ boundaries and the(Σ9 + Σ27)/Σ3 value decreased with increasing strain; furthermore,the specimens with fine initial grain size were sensitive to the strain.Finally,the effects of the initial grain size and strain on the grain boundary engineering were discussed in detail.

Grain boundary restructuring and La/Ce/Y application in Nd–Fe–B magnets

Since the 1980 s, Nd–Fe–B with largest energy product(BH)max approaching the theoretical limit has become the landmark of permanent magnetic material.The application spectrum for Nd–Fe–B continues to expand over time both in the industrial and commercial sectors, which leads to growing research interests for solving the long-standing drawbacks of Nd–Fe–B, i.e., poor corrosion resistance, low coercivity, high Dy/Tb and low La/Ce/Y consumption.Concerning the above obstacles, we aim to present the novel grain boundary restructuring(GBR) approach, from GB design, processing, to structure evolution and property evaluation with a focus on the corrosion and coercivity mechanism of the restructured 2:14:1-typed magnets.Starting with an introduction to the fundamental of GBR, two representative examples,high-electrode-potential(Pr, Nd)32.5Fe62.0Cu5.5 and low-melting-point Dy71.5Fe28.5, are given with detailed descriptions of the advantages of GBR to enhance the intrinsic anti-corrosion stability and to strengthen the coercivity at low Dy consumption.Microstructure–property correlations are established to understand the critical importance of regulating the restructured GB phase to maximize the all-round performance of the 2:14:1-typed permanent magnets.Aiming at sustainable and balanced development of rare earth(RE) industry, the proceeding section proposes new prototypes of La–Ce and Y–Ce co-substitutions with dual benefits of stabilizing the 2:14:1 tetragonal phase and strengthening the intrinsic hard magnetism.The findings of additional REFe2 intergranular phase delight that the GBR approach also opens up a new horizon of research and application to develop high-performance La/Ce/Y-rich permanent magnets with deliberately tailored GB phase.

Barrier or easy-flow channel: The role of grain boundary acting on vortex motion in type-Ⅱ superconductors

Grain boundaries(GBs),as extremely anisotropic pinning defects,have a strong impact on vortex motion in type-Ⅱsuperconductors,and further on the macro level dominates the superconductivity for example the critical current density.Many previous studies indicated that mostly GB plays the role of a strong barrier for vortex motion,while an easy-flow channel just under some certain conditions.In order to thoroughly make clear of the questions of what is exactly the role of GB on vortex motion and how it works,in this article we developed a large scale molecular dynamic model and revealed the action of GB on vortex motion in type-Ⅱsuperconductors.The most significant finding is that the role of GB on vortex motion can be changeable from a barrier to an easy-flow channel,and which is intrinsically determined by the competition effect correlated with its action on vortex between in the GB and no-GB regions.Such the competition effect essentially depends on the attributes of both the GB(described by the GB strength and angleθ)and no-GB pining regions(by the relative disorder strengthα_(p)/α_(v)).Specifically,for a YBa_(2)Cu_(3)O_(7-x)(YBCO)sample,to obtain a clear knowledge of vortex motion in GB region,we visualized the three typical trajectories of vortices during the three vortex movement stages.Further,in order to understand how GB results in the macro current-carrying property,corresponding to the current-voltage relation of the YBCO conductor,we obtained the average velocity v_(y) of vortices varying with their driving force,which is nearly identical with the previous observations.

Materials Design of Microstructure in Grain Boundary and Second Phase Particles

A concept of microstructure design for materials or materials microstructure engineering is proposed. The argument was suggested based on literature review and. some our new research work on second phase strengthening mechanisms and mechanical property modeling of a particulate reinforced metal matrix composite. Due to development of computer technology, it is possible now for us to establish the relationship between microstructures and properties systematically and quantitatively by analytical and numerical modeling in the research scope of computerization materials. Discussions and examples on intellectual optimization of microstructure are presented on two aspects: grain boundary engineering and optimal geometry of particulate reinforcements in two-phase materials.

Effects of Interface and Grain Boundary on the Electrical Resistivity of Cu/Ta Multilayers

The electrical resistivity of Cu/Ta multilayers deposited by radio-frequency magnetron sputtering on a polyimide substrate was investigated as a function of monolayer thickness. It is found that the resistivity of the multilayer increases with decreasing monolayer thickness from 500 nm to 10 nm. Two significant effects of layer interface scattering and grain boundary scattering were identified to dominate electronic transportation behavior in the Cu/Ta multilayers at different length scales. The electrical resistivity of the multilayer with monolayer thickness ranging from nanometer to submicron scales can be well described by a newly-proposed Fuchs-Sandheimair （F-S） and Mayadas-Shatzkes （M-S） combined model.

Study on Grain Boundary Structure and Corrosion Behavior of Copper Alloys

The grain boundary structure of Cu alloy was observed and the characteristic of the boundaries was studied,including 70∶30 cupronickel and 70∶30 brass. The results show that in the case of the 70∶30 cupronickel thin platelets with nickel and iron enrichment in it precipitate intergranular so that the alloy was sensitive to seawater corrosion. In the case of 70∶30 brass the situation of grain boundary segregation of different inclusions made the corrosion resistance of the alloy even worse. All of those were discovered through the corrosion behavior of the two different copper alloys served in various environments. The experimental methods used here were, scanning electron microscopy(SEM), transmission electron microscopy(TEM) and energy dispersive of X ray(EDX). The intergranular corrosion morphologies of those copper alloys served in engineering or exposed to seawater for a long term were given.

Influence of columnar grain boundary on fracture behavior of as-cast fully lamellar Ti-46Al-0.5W-0.5Si alloy

The fracture behavior of fully lamellar γ-TiAl alloys depends on the angle between the lamellar orientation and loading axis,but the role of the presentation of grain boundary cannot be ignored.To investigate the influence of the grain boundary on the initiation and propagation of cracks,the tensile test of the alloy was conducted at room temperature with loading axis parallel and perpendicular to the lamellar orientation,respectively.The cracks adjacent to the fracture zone of the tensile specimens have been investigated to analyze the fracture behavior.Results show that the grain boundary has dual influences on the fracture behavior.When the loading axis is parallel to the lamellar orientation,cracks are preferentially initiated at and propagate along the grain boundaries.When the loading axis is perpendicular to the lamellar orientation,the grain boundaries can prevent the propagation of cracks from running across.Additionally,serrated-shape grain boundaries have a better inhibiting effect on the propagation of cracks than planar boundaries.