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.

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.

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.

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.

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.

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.

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.

EFFECTS OF MODIFICATION OF THE CARBIDE CHARACTERISTICS THROUGH GRAIN BOUNDARY SERRATION ON CREEP-FATIGUE LIFE IN AUSTENITIC STAINLESS STEELS

Modification of the carbide characteristics through the grain boundary serration is investigated, using an AISI 316 and 304 stainless steels. In both steels, triangular carbides were observed at straight grain boundaries while planar carbides were observed at the serrated grain boundaries. The serrated grain boundary energy is observed to be much lower than that of the straight one. Therefore, the carbide morphology is found to be changed from triangular to planar along the serrated boundary to reduce the interfacial energy between the carbide and the matrix. The creep-fatigue properties of these steels at 873K have been investigated. The creep-fatigue life of the sample with planar carbide at the serrated grain boundary was found to be much longer than that with triangular carbide at the straight one. These results imply that the planar carbides with lower interfacial energy have higher cavitation resistance, resulting in the retardation of cavity nucleation and growth to increase creep-fatigue life.

Coercivity enhancement of sintered Nd–Fe–B magnets by grain boundary diffusion with Pr_(80-x)Al_(x)Cu_(20)alloys

A grain boundary diffusion(GBD)process with Pr_(80-x)Al_(x)Cu_(20)(x=0,10,15,20)low melting point alloys was applied to commercial 42M sintered Nd–Fe–B magnets.The best coercivity enhancement of a diffused magnet was for the Pr_(65)Al_(15)Cu_(20)GBD magnet,from 16.38 kOe to 22.38 kOe.Microstructural investigations indicated that increase in the Al content in the diffusion source can form a continuous grain boundary(GB)phase,optimizing the microstructure to enhance the coercivity.The coercivity enhancement is mainly due to the formation of a continuous GB phase to separate the main phase grains.Exchange decoupling between the adjacent main phase grains is enhanced after the GBD process.Meanwhile,the introduction of Al can effectively promote the infiltration of Pr into the magnet,which increases the diffusion rate of rare-earth elements within a certain range.This work provides a feasible method to enhance coercivity and reduce the use of rare-earth resources by partial replacement of rare-earth elements with non-rare-earth elements in the diffusion source.

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.

Crystal plasticity based modeling of grain boundary sliding in magnesium alloy AZ31B sheet

The aim of present work is to develop a crystal plasticity modeling approach to integrate slip,dynamic recrystallization(DRX)and grain boundary sliding(GBS)for simulating the deformation behavior and texture evolution of magnesium alloys at high temperatures.Firstly,the deformation mechanisms of an AZ31B Mg alloy sheet at 300°C were investigated by examining texture and microstructure evolution during uniaxial tension and compression tests.DRX refines microstructure at strains less than 0.2,and subsequently GBS plays a significant role during deformation process.A GBS model is developed to evaluate strain and grain rotation induced by GBS,and implemented into the polycrystal plasticity framework VPSC.The VPSC-DRX-GBS model can well reproduce the stress−strain curves,grain size,texture evolution and significant texture differences in tension and compression tests due to GBS.The calculated GBS contribution ratio in tension is obviously higher than that in compression due to easier cavity nucleation at grain boundaries under tension loading.

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.

Perfection of Perovskite Grain Boundary Passivation by Rhodium Incorporation for Efficient and Stable Solar Cells

Organic cation and halide anion defects are omnipresent in the perovskite films,which will destroy perovskite electronic structure and downgrade the properties of devices.Defect passivation in halide perovskites is crucial to the application of solar cells.Herein,tiny amounts of trivalent rhodium ion incorporation can help the nucleation of perovskite grain and passivate the defects in the grain boundaries,which can improve efficiency and stability of perovskite solar cells.Through first-principle calculations,rhodium ion incorporation into the perovskite structure can induce ordered arrangement and tune bandgap.In experiment,rhodium ion incorporation with perovskite can contribute to preparing larger crystalline and uniform film,reducing trap-state density and enlarging charge carrier lifetime.After optimizing the content of 1% rhodium,the devices achieved an efficiency up to 20.71% without obvious hysteresis,from 19.09% of that pristine perovskite.In addition,the unencapsulated solar cells maintain 92% of its initial efficiency after 500 h in dry air.This work highlights the advantages of trivalent rhodium ion incorporation in the characteristics of perovskite solar cells,which will promote the future industrial application.

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 impurity elements on SiC grain boundary stability and corrosion

Grain boundaries(GBs)have critical influences on the stability and properties of various materials.In this study,first-principles calculations were performed to determine the effects of four metallic impurities(Ni,Al,Bi,and Pb)and three nonmetallic impurities(H,O,and N)on the GBs of silicon carbide(SiC),using the ∑5(210)GBs as models.The GB energy and segregation energy(SE)were calculated to identify the effects of impurities on the GB stability.Electronic interactions considerably influenced the bonding effects of SiC.The formation of weak bonds resulted in the corrosion and embrittlement of GBs.The co-segregation of Bi,Pb,and O was also investigated in detail.

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.

Different effects of grain boundary scattering on charge and heat transport in polycrystalline platinum and gold nanofilms

The in-plane electrical and thermal conductivities of several polycrystalline platinum and gold nanofilms with different thicknesses are measured in a temperature range between the boiling point of liquid nitrogen （77K） and room temperature by using the direct current heating method. The result shows that both the electrical and thermal conductivities of the nanofilms reduce greatly compared with their corresponding bulk values. However, the electrical conductivity drop is considerably greater than the thermal conductivity drop, which indicates that the influence of the internal grain boundary on heat transport is different from that of charge transport, hence leading to the violation of the Wiedemann-Franz law. We build an electron relaxation model based on Matthiessen＇s rule to analyse the thermal conductivity and employ the Mayadas ＆ Shatzkes theory to analyse the electrical conductivity. Moreover, a modified Wiedemann-Franz law is provided in this paper, the obtained results from which are in good agreement with the experimental data.

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.

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.