To explain the precipitation mechanism ofχphase in Co-based superalloys,the microstructural evolution of Co−Ti−Mo superalloys subjected to aging was investigated by X-ray diffraction(XRD),scanning electron microscope...To explain the precipitation mechanism ofχphase in Co-based superalloys,the microstructural evolution of Co−Ti−Mo superalloys subjected to aging was investigated by X-ray diffraction(XRD),scanning electron microscope(SEM)and transmission electron microscope(TEM).The results show that the needle-likeχphase is mainly composed ofD0_(19)-Co_(3)(Ti,Mo),which is transformed from L1_(2-γ′)phase,and a specific orientation relationship exists between them.χphase is nucleated through the shearing ofγ′phase due to the influence of stacking fault.The crystal orientation relationship between L1_(2) andD0_(19)can be confirmed as{111}L1_(2)//{0001}_(D0_(19)),and<112>_(L1_(2))//<1100>_(D0_(19)).The growth ofD0_(19-χ)phase depends on the diffusions of Ti and Mo,and consumes a large number of elements.This progress leads to the appearance ofγ′precipitation depletion zone(PDZ)aroundD0_(19-χ)phase.The addition of Ni improves the stability of L1_(2-γ′)phase and the mechanical properties of Co-based superalloys.展开更多
Electronic interactions of the Group 2A elements with magnesium have been studied through the dilute solid solutions in binary Mg-Ca,Mg-Sr and Mg-Ba systems.This investigation incorporated the difference in the‘Work ...Electronic interactions of the Group 2A elements with magnesium have been studied through the dilute solid solutions in binary Mg-Ca,Mg-Sr and Mg-Ba systems.This investigation incorporated the difference in the‘Work Function'(ΔWF)measured via Kelvin Probe Force Microscopy(KPFM),as a property directly affected by interatomic bond types,i.e.the electronic structure,nanoindentation measurements,and Stacking Fault Energy values reported in the literature.It was shown that the nano-hardness of the solid-solutionα-Mg phase changed in the order of Mg-Ca>Mg-Sr>Mg-Ba.Thus,it was shown,by also considering the nano-hardness levels,that SFE of a solid-solution is closely correlated with its‘Work Function'level.Nano-hardness measurements on the eutectics andΔWF difference between eutectic phases enabled an assessment of the relative bond strength and the pertinent electronic structures of the eutectics in the three alloys.Correlation withΔWF and at least qualitative verification of those computed SFE values with some experimental measurement techniques were considered important as those computational methods are based on zero Kelvin degree,relatively simple atomic models and a number of assumptions.As asserted by this investigation,if the results of measurement techniques can be qualitatively correlated with those of the computational methods,it can be possible to evaluate the electronic structures in alloys,starting from binary systems,going to ternary and then multi-elemental systems.Our investigation has shown that such a qualitative correlation is possible.After all,the SFE values are not treated as absolute values but rather become essential in comparative investigations when assessing the influences of alloying elements at a fundamental level,that is,free electron density distributions.Our study indicated that the principles of‘electronic metallurgy'in developing multi-elemental alloy systems can be followed via practical experimental methods,i.e.ΔWF measurements using KPFM and nanoindentation.展开更多
Deformation-induced twinning or martensitic transformation can improve the work-hardening capabil-ity of alloys with face-centered cubic(FCC)structures and suppress strain localization.The stacking fault energy(SFE)of...Deformation-induced twinning or martensitic transformation can improve the work-hardening capabil-ity of alloys with face-centered cubic(FCC)structures and suppress strain localization.The stacking fault energy(SFE)of alloys plays a key role in determining deformation mechanisms and mechanical prop-erties.This study developed V-bearing high-Mn steel with a tensile strength of 1288 MPa and uniform elongation of 36%by tactfully designing the composition.Precipitation of V-carbides was selected to strengthen the steel and tune the global SFE of the matrix by settling carbon.Stronger work-hardening capability due to lower SFE and finer twin/matrix lamellae provided the steel with good ductility,while precipitation strengthened it.展开更多
Near-αtitanium alloy and Ti_(2)AlNb alloy powders premixed with different proportions were prepared on the near-αtitanium alloy substrate by laser deposition technique,and the microstructure characteristics were ana...Near-αtitanium alloy and Ti_(2)AlNb alloy powders premixed with different proportions were prepared on the near-αtitanium alloy substrate by laser deposition technique,and the microstructure characteristics were analyzed and discussed.Results show that numerous river-like sub-grain structures are formed inside the equiaxed B2 grains of the laser-deposited premixed titanium alloy powders with the proportion of Ti_(2)AlNb above 40wt%,whereas the needle-like structure within coarse columnarβgrains exist with the proportion of Ti_(2)AlNb below 40wt%.It is noteworthy that the decrease in laser power and scanning speed can accelerate the formation of sub-grain structures.Based on the analysis of experimental results,it can be inferred that the formation of sub-grain structure not only is related to the precipitation of O phase due to composition micro-segregation at sub-grain boundaries,but also is inseparable from the stacking faults caused by the internal stress during the laser deposition.展开更多
We present the High-Throughput Computing and Statistical Analysis(HCSA)scheme,which efficiently and accurately predicts the stacking fault energies(SFEs)of multi-principal element alloys(MPEAs).Our approach estimates ...We present the High-Throughput Computing and Statistical Analysis(HCSA)scheme,which efficiently and accurately predicts the stacking fault energies(SFEs)of multi-principal element alloys(MPEAs).Our approach estimates the SFE of a single complex supercell by averaging numerous SFEs from small supercells,resulting in superior accuracy compared to traditional density functional theory(DFT)calculations.To validate our scheme,we applied it to NiFe and Ni_(10)Co_(60)Cr_(25)W_(5)alloys,achieving an SFE error of only 11%,in contrast to the 45%error obtained from traditional DFT calculations for NiFe.We observed a strong correlation between the average SFEs of samples with the same valence electron concentration as that of the experimental data.Our scheme provides an efficient and reliable tool for predicting SFEs in MPEAs and holds the potential to significantly accelerate materials design and discovery processes.展开更多
Co-free Li-rich layered oxides(LLOs)are emerging as promising cathode materials for Li-ion batteries due to their low cost and high capacity.However,they commonly face severe structural instability and poor electroche...Co-free Li-rich layered oxides(LLOs)are emerging as promising cathode materials for Li-ion batteries due to their low cost and high capacity.However,they commonly face severe structural instability and poor electrochemical activity,leading to diminished capacity and voltage performance.Herein,we introduce a Co-free LLO,Li_(1.167)Ni_(0.222)Mn_(0.611)O_(2)(Cf-L1),which features a cooperative structure of Li/Ni mixing and stacking faults.This structure regulates the crystal and electronic structures,resulting in a higher discharge capacity of 300.6 mA h g^(-1)and enhanced rate capability compared to the typical Co-free LLO,Li_(1.2)Ni_(0.2)Mn_(0.6)O_(2)(Cf-Ls).Density functional theory(DFT)indicates that Li/Ni mixing in LLOs leads to increased Li-O-Li configurations and higher anionic redox activities,while stacking faults further optimize the electronic interactions of transition metal(TM)3d and non-bonding O 2p orbitals.Moreover,stacking faults accommodate lattice strain,improving electrochemical reversibility during charge/discharge cycles,as demonstrated by the in situ XRD of Cf-L1 showing less lattice evolution than Cf-Ls.This study offers a structured approach to developing Co-free LLOs with enhanced capacity,voltage,rate capability,and cyclability,significantly impacting the advancement of the next-generation Li-ion batteries.展开更多
Stacking faults(SFs)and the interaction between solute atoms and SFs in a Mg–Bi alloy are investigated using aberration-corrected scanning transmission electron microscopy.It is found that abundant I_(1)SFs are gener...Stacking faults(SFs)and the interaction between solute atoms and SFs in a Mg–Bi alloy are investigated using aberration-corrected scanning transmission electron microscopy.It is found that abundant I_(1)SFs are generated after cold rolling and are mainly distributed inside{1012}twins.After aging treatment,the formation of single-layer and three-layer Bi atom segregation in the vicinity of I_(1)fault are clearly observed.Bi segregation also occurs at the 1/6<2203>bounding Frank partial dislocation cores.The segregation behaviors in I_(1)fault and Frank dislocations are discussed and rationalized using first-principles calculations.展开更多
Improving the strength-ductility is crucial to the development of high-performance nickel-based super-alloys fabricated via additive manufacturing(AM).In this study,Sc and Y microalloying is used to regu-late the micr...Improving the strength-ductility is crucial to the development of high-performance nickel-based super-alloys fabricated via additive manufacturing(AM).In this study,Sc and Y microalloying is used to regu-late the microstructure and improve the strength-ductility of René104 supealloy(René104ScY).The re-sults suggest the formation of high-density stacking faults(SFs),Lomer-Cottrell locks,and nano-Al_(3)(Sc,Y)phases in the René104ScY matrix.The cellular/columnar structures are refined,the number of equiax-ial grains increases,and the number of columnar grains and their aspect ratio decrease in René104ScY.The synergistic effect of multiple strengthening mechanisms,including that formed by SFs,improves the strength and ductility of René104ScY fabricated via laser powder bed fusion.The yield strength,tensile strength,and elongation of René104ScY are 1059±15 MPa,1405±10 MPa,and 28.8%±0.6%,respec-tively.This study provides a novel approach for developing high-performance nickel-based superalloys using AM.展开更多
The first-principles method based on the projector augmented wave method within the generalized gradient approximation was employed to calculate the superlattice intrinsic stacking fault（SISF） and complex stacking f...The first-principles method based on the projector augmented wave method within the generalized gradient approximation was employed to calculate the superlattice intrinsic stacking fault（SISF） and complex stacking fault（CSF） energies of the binary Ni3Al alloys with different Al contents and the ternary Ni3Al intermetallic alloys with addition of alloying elements,such as Pd,Pt,Ti,Mo,Ta,W and Re.The results show that the energies of SISF and CSF increase significantly with increase of Al contents in Ni3Al.Addition of Pd and Pt occupying the Ni sublattices does not change the SISF and CSF energies of Ni3Al markedly in comparison with the Ni-23.75Al alloy.While addition of alloying elements,such as Ti,Mo,Ta,W and Re,occupying the Al sublattices dramatically increases the SISF and CSF energies of Ni3Al.The results suggest that the energies of SISF and CSF are dependent both on the Al contents and on the site occupancy of the ternary alloying element in Ni3Al intermetallic alloys.展开更多
Cu,Cu-2.2%Al and Cu-4.5%Al with stacking fault energies（SFE） of 78,35 and 7 mJ/m2 respectively were processed by cold-rolling（CR） at liquid nitrogen temperature（77 K） after hot-rolling.X-ray diffraction measurem...Cu,Cu-2.2%Al and Cu-4.5%Al with stacking fault energies（SFE） of 78,35 and 7 mJ/m2 respectively were processed by cold-rolling（CR） at liquid nitrogen temperature（77 K） after hot-rolling.X-ray diffraction measurements indicate that a decrease in SFE leads to a decrease in crystallite size but increase in microstrain,dislocation and twin densities of the CR processed samples.Tensile tests at room temperature indicate that as the stacking fault energy decreases,the strength and ductility increase.The results indicate that decreasing stacking fault energy is an optimum method to improve the ductility without loss of strength.展开更多
Assessing the stacking fault forming probability(P_(sf)) and stacking fault energy(SFE)in medium-or highMn base structural materials can anticipate and elucidate the microstructural evolution before and after deformat...Assessing the stacking fault forming probability(P_(sf)) and stacking fault energy(SFE)in medium-or highMn base structural materials can anticipate and elucidate the microstructural evolution before and after deformation.Typically,these two parameters have been determined from theoretical calculations and empirical results.However,the estimation of SFE values in Fe–Mn–C ternary systems is a longstanding debate due to the complicated nature of carbon:that is,whether the carbon doping indeed plays an important role in the formation of stacking faults;and how the amount of carbon atoms exist at grain boundaries or at internal grains with respect to the nominal carbon doping contents.Herein,the use of atom probe tomography and transmission electron microscopy(TEM)unveils the influence of carbondoping contents on the structural properties of dual-phase Fe–17 Mn–x C(x=0–1.56 at%)steels,such as carbon segregation free energy at grain boundaries,carbon concentration in grain interior,interplanar D-spacings,and mean width of intrinsic stacking faults,which are essential for SFE estimation.We next determined the Psfvalues by two different methods,viz.,reciprocal-space electron diffraction measurements and stacking fault width measurements in real-space TEM images.Then,SFEs in the Fe–17 Mn–x C systems were calculated on the basis of the generally-known SFE equations.We found that the high amount of carbon doping gives rise to the increased SFE from 8.6 to 13.5 m J/m^(2)with non-linear variation.This SFE trend varies inversely with the mean width of localized stacking faults,which pass through both other stacking faults and pre-existingε-martensite plates without much difficulty at their intersecting zones.The high amount of carbon doping acts twofold,through increasing the segregation free energy(due to more carbon at grain boundaries)and large lattice expansion(due to increased soluble carbon at internal grains).The experimental data obtained here strengthens the composition-dependent SFE maps for predicting the deformation structure and mechanical response of other carbon-doped high-Mn alloy compositions.展开更多
The stacking fault probability of CoNi alloys with different contents of Ni was measured by X ray diffraction methods. The results show that the stacking fault decreases with increasing Ni content and with increasing ...The stacking fault probability of CoNi alloys with different contents of Ni was measured by X ray diffraction methods. The results show that the stacking fault decreases with increasing Ni content and with increasing temperature. The thermodynamical calculation has found an equation that can express the stacking fault energy γ of CoNi at temperature T . The phase equilibrium temperature depends on the composition of the certain alloy. The relationship between stacking fault energy γ and stacking fault probability P sf is determined.展开更多
Corrosion is one of the most drawbacks which restricts the wide applications of Mg alloys.In the last decade,the corrosion behaviors of Mg alloys with stacking fault(SF)and/or long period stacking ordered(LPSO)structu...Corrosion is one of the most drawbacks which restricts the wide applications of Mg alloys.In the last decade,the corrosion behaviors of Mg alloys with stacking fault(SF)and/or long period stacking ordered(LPSO)structures have obtained increasing attention.However,the corrosion mechanism of the SF–or LPSO–containing Mg alloys has not been well illustrated and even reverse results have been reported.In this paper,we have reviewed recent reports on corrosion behaviors of SF–or LPSO–containing Mg alloys to better clarify and understand the significance and mechanism.Moreover,some deficiencies are presented and advises are proposed for the development of corrosion resistant Mg alloys with SF or LPSO structures.展开更多
Due to the insufficient slip systems,Mg and its alloys exhibit poor ductility during plastic deformation at room temperature.To solve this problem,alloying is considered as a most effective method to improve the ducti...Due to the insufficient slip systems,Mg and its alloys exhibit poor ductility during plastic deformation at room temperature.To solve this problem,alloying is considered as a most effective method to improve the ductility of Mg alloys,which attracts wide attentions of industries.However,it is still a challenge to understand the ductilization mechanism,because of the complicated alloying elements and their interactions with Mg matrix.In this work,pure Mg and Mg-Y alloys were comparatively studied to investigate the effect of Y addition on microstructure evolution and mechanical properties.A huge increase of uniform elongation,from 5.3%to 20.7%,was achieved via only 3 wt%addition of yttrium.TEM results revealed that the only activated slip system in pure Mg was basalslip,led to its poor ductility at room temperature.In contrast,a large number of stacking faults and non-basal dislocations with<c>component were observed in the deformed Mg-Y alloy,which was proposed as the main reason for significant improvement of strain hardening and ductility.High resolution TEM indicated that most of the stacking faults were II and 12 intrinsic faults,which played a critical role in improving the ductility of Mg-Y alloy.Addition of Y into Mg alloy decreased the stacking fault energy,which induced high density stacking faults in the grain interior.展开更多
The variation of stacking fault energy(SFE)in a number of binary Cu alloys is predicted through considering the Suzuki segregation by the full potential linearly augmented plane wave(FPLAPW)method.The calculated resul...The variation of stacking fault energy(SFE)in a number of binary Cu alloys is predicted through considering the Suzuki segregation by the full potential linearly augmented plane wave(FPLAPW)method.The calculated results show that some solute atoms(Mg,Al,Si,Zn,Ga,Ge,Cd,Sn,and Pb),which prefer to form the Suzuki segregation,may decrease the value of SFE;while the others(Ti,Mn,Fe,Ni,Zr,Ag,and Au),which do not cause the Suzuki segregation may not decrease the SFE.Furthermore,it is interesting to find that the former alloying elements are located on the right of Cu group while the latter on the left of Cu group in the periodic table of elements.The intrinsic reasons for the new findings can be traced down to the valences electronic structure of solute and Cu atoms,i.e.,the similarity of valence electronic structure between solute and Cu atoms increases the value of SFE,while the difference decreases the value of SFE.展开更多
To develop biodegradable magnesium alloy with desirable corrosion properties,a low Gd-containing Mg-3Gd-1Zn-0.4Zr(wt%,GZ31K)alloy was prepared.The as-cast ingot was solution treated and then hot extruded.Microstructur...To develop biodegradable magnesium alloy with desirable corrosion properties,a low Gd-containing Mg-3Gd-1Zn-0.4Zr(wt%,GZ31K)alloy was prepared.The as-cast ingot was solution treated and then hot extruded.Microstructures were characterized by scanning electron microscopy(SEM).Corrosion behavior of the alloy under each condition was studied by hydrogen evolution and quasi in-situ corrosion methods.It has been found that the as-cast alloy is composed ofα-Mg,stacking faults(SFs)at the outer edge of the matrix grains,and eutectic phase along the grain boundaries.After solution treatment,the SFs disappear and precipitates rich in Zn and Zr elements form in the grain interior and boundaries.The microstructure is significantly refined after extrusion.Hydrogen evolution tests show that the as-cast alloy exhibits the best corrosion resistance,and the solution-treated alloy has the worst corrosion resistance.Corrosion rate of the alloy under each condition decreases first and then increases with prolonging immersion time.Corrosion experiments demonstrate thatα-Mg was corroded preferentially,the eutectic phase and precipitates exhibit better corrosion resistance.The as-extruded alloy demonstrates uniform corrosion due to fine and homogeneous microstructure.展开更多
The Pt3Hf compound plays a decisive role in strengthening Pt-Hf alloy systems.Evaluating the stacking fault,dislocation dissociation,and twinning mechanisms in Pt3Hf is the first step in understanding its plastic beha...The Pt3Hf compound plays a decisive role in strengthening Pt-Hf alloy systems.Evaluating the stacking fault,dislocation dissociation,and twinning mechanisms in Pt3Hf is the first step in understanding its plastic behavior.In this work,the generalized stacking fault energies(GSFE),including the complex stacking fault(CSF),the superlattice intrinsic stacking fault(SISF),and the antiphase boundary(APB) energies,are calculated using firstprinciples calculations.The dislocation dissociation,deformation twinning,and yield behavior of Pt3Hf are discussed based on GSFE after their incorporation into the Peierls-Nabarro model.We found that the unstable stacking fault energy(γus) of(111)APB is lower than that of SISF and(010) APB,implying that the energy barrier and critical stress required for(111)APB generation are lower than those required for(010)APB formation.This result indicates that the a<110> superdislocation will dissociate into two collinear a/2<110> superpartial dislocations.The a/2<110> dislocation could further dissociate into a a/6<112> Shockley dislocation and a a/3<211> superShockley dislocation connected by a SISF,which results in an APB→SISF transformation.The study also discovered that Pt3 Hf exhibits normal yield behavior,although the cross-slip of a a/2<110> dislocation is not forbidden,and the anomalous yield criterion is satisfied.Moreover,it is observed that the energy barrier and critical stress for APB formation increases with increasing pressure and decreases as the temperature is elevated.When the temperature rises above 1400 K,the a/2<110> dislocation slipping may change from the {111} planes to the {100} planes.展开更多
First-principles calculations were performed to investigate the structures and energetics of {101n} coherent twin boundaries(CTBs) and glide twin boundaries(GTBs) in hexagonal close-packed(hcp) Ti. The formation mecha...First-principles calculations were performed to investigate the structures and energetics of {101n} coherent twin boundaries(CTBs) and glide twin boundaries(GTBs) in hexagonal close-packed(hcp) Ti. The formation mechanism of GTBs and their correlation with twin growth were fundamentally explored. Results suggested that GTBs can form from the gliding of CTBs, through their interaction with basal stacking fault. The gliding eventually restored the CTB structures by forming a pair of single-layer twinning disconnections. The pile-up of twinning disconnections should be responsible for the wide steps at twin boundaries as observed in high-resolution transmission electron microscopy, which can further promote twin growth. Possible effects of various alloying elements on pinning twin boundaries were also evaluated, to guide the strengthening design of Ti alloys.展开更多
The magnetic response, microstructural and texture changes occurring during cold rolling of a Fe-14Mn-0.64C-2.4AI-0.25Si medium stacking fault energy TWlP （twinning induced plasticity） steel have been studied by X-r...The magnetic response, microstructural and texture changes occurring during cold rolling of a Fe-14Mn-0.64C-2.4AI-0.25Si medium stacking fault energy TWlP （twinning induced plasticity） steel have been studied by X-ray diffraction and magnetic techniques. The changes in the sub-grain size （Ds）, probability of stacking fault formation （Psf） and microstrain in the material as cold rolling progressed were determined by using a modified version of the Williamson and Hall equation. A strong development of the crystallographic texture with increasing deformation was observed. Deformation-induced formation of a small fraction α＇-martensite was observed, indicating that the steel also exhibits γ→α＇-martensite transformation during cold rolling, which is discussed via the changes of the stacking-fault probability and the texture development during cold rolling.展开更多
Texture and microstructure evolution in two kinds of the twinning induced plasticity （TWIP） steels （Fe-Mn- Si-AI and Fe-Mn-C） with diverse stacking fault energies during tensile testing were investigated by interr...Texture and microstructure evolution in two kinds of the twinning induced plasticity （TWIP） steels （Fe-Mn- Si-AI and Fe-Mn-C） with diverse stacking fault energies during tensile testing were investigated by interrupted testing. The strain-hardening rate curves of the two steels were quite similar, but the texture characterization curves （maximum of pole density measured by X-ray diffraction） were varied. According to the curvature of max pole density curves, the evolution of the texture and the microstructure can be divided into three stages： low strain stage, medium stage and high stage. In low strain stage the difference of the microstructure came from the intensity of dislocation, which was much smaller in Fe-Mn-Si-AI. The main difference of the microstructure in medium and high strain stages originated from the numbers of activated twin systems. There were more than one twin systems activated in Fe-Mn-C, while only a single twin system activated in Fe-Mn-Si-AI. Texture showed various differences in the whole tensile process because it was affected by their micromechanism, such as concentration of the dislocation and the activation of twin systems. Texture in low strain stage was connected with annealing twin; the evolution ofthe texture was mainly induced by deformation twin generation. More than one activated twin systems in medium and high stages may counteract each other in the view of concentration of the grain orientations.展开更多
基金The financial supports from the National Natural Science Foundation of China(Nos.52171107,52201203)the National Natural Science Foundation of China-Joint Fund of Iron and Steel Research(No.U1960204)the“333”Talent Project of Hebei Province,China(No.B20221001)are gratefully acknowledged.
文摘To explain the precipitation mechanism ofχphase in Co-based superalloys,the microstructural evolution of Co−Ti−Mo superalloys subjected to aging was investigated by X-ray diffraction(XRD),scanning electron microscope(SEM)and transmission electron microscope(TEM).The results show that the needle-likeχphase is mainly composed ofD0_(19)-Co_(3)(Ti,Mo),which is transformed from L1_(2-γ′)phase,and a specific orientation relationship exists between them.χphase is nucleated through the shearing ofγ′phase due to the influence of stacking fault.The crystal orientation relationship between L1_(2) andD0_(19)can be confirmed as{111}L1_(2)//{0001}_(D0_(19)),and<112>_(L1_(2))//<1100>_(D0_(19)).The growth ofD0_(19-χ)phase depends on the diffusions of Ti and Mo,and consumes a large number of elements.This progress leads to the appearance ofγ′precipitation depletion zone(PDZ)aroundD0_(19-χ)phase.The addition of Ni improves the stability of L1_(2-γ′)phase and the mechanical properties of Co-based superalloys.
基金financial support for this work provided by Eski sehir Technical University Scientific Research Projects Unit with Grant Number 20DRP059support provided by the Turkish Ministry of Science,Industry and Technology under the SANTEZ Project 0286.STZ.2013±2。
文摘Electronic interactions of the Group 2A elements with magnesium have been studied through the dilute solid solutions in binary Mg-Ca,Mg-Sr and Mg-Ba systems.This investigation incorporated the difference in the‘Work Function'(ΔWF)measured via Kelvin Probe Force Microscopy(KPFM),as a property directly affected by interatomic bond types,i.e.the electronic structure,nanoindentation measurements,and Stacking Fault Energy values reported in the literature.It was shown that the nano-hardness of the solid-solutionα-Mg phase changed in the order of Mg-Ca>Mg-Sr>Mg-Ba.Thus,it was shown,by also considering the nano-hardness levels,that SFE of a solid-solution is closely correlated with its‘Work Function'level.Nano-hardness measurements on the eutectics andΔWF difference between eutectic phases enabled an assessment of the relative bond strength and the pertinent electronic structures of the eutectics in the three alloys.Correlation withΔWF and at least qualitative verification of those computed SFE values with some experimental measurement techniques were considered important as those computational methods are based on zero Kelvin degree,relatively simple atomic models and a number of assumptions.As asserted by this investigation,if the results of measurement techniques can be qualitatively correlated with those of the computational methods,it can be possible to evaluate the electronic structures in alloys,starting from binary systems,going to ternary and then multi-elemental systems.Our investigation has shown that such a qualitative correlation is possible.After all,the SFE values are not treated as absolute values but rather become essential in comparative investigations when assessing the influences of alloying elements at a fundamental level,that is,free electron density distributions.Our study indicated that the principles of‘electronic metallurgy'in developing multi-elemental alloy systems can be followed via practical experimental methods,i.e.ΔWF measurements using KPFM and nanoindentation.
基金The present work was supported by the Natural Science Foundation of China(Nos.52171111,U2141207,52001083)the Youth Talent Project of China National Nuclear Corporation(No.CNNC2021Y-TEP-HEU01)+2 种基金the China Postdoctoral Science Founda-tion(No.2020M681077)the Natural Science Foundation of Hei-longjiang(No.LH2019E030)the Heilongjiang Postdoctoral Science Foundation(No.LBH-Z19125)and Heilongjiang Touyan Innovation Team Program.
文摘Deformation-induced twinning or martensitic transformation can improve the work-hardening capabil-ity of alloys with face-centered cubic(FCC)structures and suppress strain localization.The stacking fault energy(SFE)of alloys plays a key role in determining deformation mechanisms and mechanical prop-erties.This study developed V-bearing high-Mn steel with a tensile strength of 1288 MPa and uniform elongation of 36%by tactfully designing the composition.Precipitation of V-carbides was selected to strengthen the steel and tune the global SFE of the matrix by settling carbon.Stronger work-hardening capability due to lower SFE and finer twin/matrix lamellae provided the steel with good ductility,while precipitation strengthened it.
基金National Natural Science Foundation of China(51974259)Xi'an Municipal Bureau of Science and Technology(21ZCZZHXJS-QCY6-0008)Industry-Academic Cooperation Project of Aero Engine Corporation of China(HFZL2020CXY021)。
文摘Near-αtitanium alloy and Ti_(2)AlNb alloy powders premixed with different proportions were prepared on the near-αtitanium alloy substrate by laser deposition technique,and the microstructure characteristics were analyzed and discussed.Results show that numerous river-like sub-grain structures are formed inside the equiaxed B2 grains of the laser-deposited premixed titanium alloy powders with the proportion of Ti_(2)AlNb above 40wt%,whereas the needle-like structure within coarse columnarβgrains exist with the proportion of Ti_(2)AlNb below 40wt%.It is noteworthy that the decrease in laser power and scanning speed can accelerate the formation of sub-grain structures.Based on the analysis of experimental results,it can be inferred that the formation of sub-grain structure not only is related to the precipitation of O phase due to composition micro-segregation at sub-grain boundaries,but also is inseparable from the stacking faults caused by the internal stress during the laser deposition.
基金financially supported by the National Natural Science Foundation of China(Nos.22173047 and 51931003)the Natural Science Foundation of Jiangsu Province(No.BK20211198)+1 种基金the Sino-German Mobility Program of the Sino-German Center for Research Promotion(Grant M-0147)the Fundamental Research Funds for the Central Universities(Nos.30920041116,30919011254,and 30919011405).
文摘We present the High-Throughput Computing and Statistical Analysis(HCSA)scheme,which efficiently and accurately predicts the stacking fault energies(SFEs)of multi-principal element alloys(MPEAs).Our approach estimates the SFE of a single complex supercell by averaging numerous SFEs from small supercells,resulting in superior accuracy compared to traditional density functional theory(DFT)calculations.To validate our scheme,we applied it to NiFe and Ni_(10)Co_(60)Cr_(25)W_(5)alloys,achieving an SFE error of only 11%,in contrast to the 45%error obtained from traditional DFT calculations for NiFe.We observed a strong correlation between the average SFEs of samples with the same valence electron concentration as that of the experimental data.Our scheme provides an efficient and reliable tool for predicting SFEs in MPEAs and holds the potential to significantly accelerate materials design and discovery processes.
基金financially supported by the National Natural Science Foundation of China(52202046,51602246,and 51801144)the Natural Science Foundation of Shanxi Provincial(2021JQ-034)。
文摘Co-free Li-rich layered oxides(LLOs)are emerging as promising cathode materials for Li-ion batteries due to their low cost and high capacity.However,they commonly face severe structural instability and poor electrochemical activity,leading to diminished capacity and voltage performance.Herein,we introduce a Co-free LLO,Li_(1.167)Ni_(0.222)Mn_(0.611)O_(2)(Cf-L1),which features a cooperative structure of Li/Ni mixing and stacking faults.This structure regulates the crystal and electronic structures,resulting in a higher discharge capacity of 300.6 mA h g^(-1)and enhanced rate capability compared to the typical Co-free LLO,Li_(1.2)Ni_(0.2)Mn_(0.6)O_(2)(Cf-Ls).Density functional theory(DFT)indicates that Li/Ni mixing in LLOs leads to increased Li-O-Li configurations and higher anionic redox activities,while stacking faults further optimize the electronic interactions of transition metal(TM)3d and non-bonding O 2p orbitals.Moreover,stacking faults accommodate lattice strain,improving electrochemical reversibility during charge/discharge cycles,as demonstrated by the in situ XRD of Cf-L1 showing less lattice evolution than Cf-Ls.This study offers a structured approach to developing Co-free LLOs with enhanced capacity,voltage,rate capability,and cyclability,significantly impacting the advancement of the next-generation Li-ion batteries.
基金support by the National Natural Science Foundation of China(52071033)Open Foundation of State Key Laboratory of Advanced Design and Manufacturing for Vehicle Body(32115016).
文摘Stacking faults(SFs)and the interaction between solute atoms and SFs in a Mg–Bi alloy are investigated using aberration-corrected scanning transmission electron microscopy.It is found that abundant I_(1)SFs are generated after cold rolling and are mainly distributed inside{1012}twins.After aging treatment,the formation of single-layer and three-layer Bi atom segregation in the vicinity of I_(1)fault are clearly observed.Bi segregation also occurs at the 1/6<2203>bounding Frank partial dislocation cores.The segregation behaviors in I_(1)fault and Frank dislocations are discussed and rationalized using first-principles calculations.
基金financially supported by the Project of Chinese Academy of Engineering(Nos.2019-XZ-11 and 2023-XY-18)the Open Fund of National Joint Engineering Research Center for Abrasion Control and Molding of Metal Materials of China(No.HKDNM201907).
文摘Improving the strength-ductility is crucial to the development of high-performance nickel-based super-alloys fabricated via additive manufacturing(AM).In this study,Sc and Y microalloying is used to regu-late the microstructure and improve the strength-ductility of René104 supealloy(René104ScY).The re-sults suggest the formation of high-density stacking faults(SFs),Lomer-Cottrell locks,and nano-Al_(3)(Sc,Y)phases in the René104ScY matrix.The cellular/columnar structures are refined,the number of equiax-ial grains increases,and the number of columnar grains and their aspect ratio decrease in René104ScY.The synergistic effect of multiple strengthening mechanisms,including that formed by SFs,improves the strength and ductility of René104ScY fabricated via laser powder bed fusion.The yield strength,tensile strength,and elongation of René104ScY are 1059±15 MPa,1405±10 MPa,and 28.8%±0.6%,respec-tively.This study provides a novel approach for developing high-performance nickel-based superalloys using AM.
基金Project(50871065) supported by the National Natural Science Foundation of ChinaProjects(08DJ1400402,09JC1407200,10DZ2290904) supported by the Science and Technology Committee of Shanghai Municipality,China
文摘The first-principles method based on the projector augmented wave method within the generalized gradient approximation was employed to calculate the superlattice intrinsic stacking fault（SISF） and complex stacking fault（CSF） energies of the binary Ni3Al alloys with different Al contents and the ternary Ni3Al intermetallic alloys with addition of alloying elements,such as Pd,Pt,Ti,Mo,Ta,W and Re.The results show that the energies of SISF and CSF increase significantly with increase of Al contents in Ni3Al.Addition of Pd and Pt occupying the Ni sublattices does not change the SISF and CSF energies of Ni3Al markedly in comparison with the Ni-23.75Al alloy.While addition of alloying elements,such as Ti,Mo,Ta,W and Re,occupying the Al sublattices dramatically increases the SISF and CSF energies of Ni3Al.The results suggest that the energies of SISF and CSF are dependent both on the Al contents and on the site occupancy of the ternary alloying element in Ni3Al intermetallic alloys.
基金Project (50874056) supported by the National Natural Science Foundation of China
文摘Cu,Cu-2.2%Al and Cu-4.5%Al with stacking fault energies（SFE） of 78,35 and 7 mJ/m2 respectively were processed by cold-rolling（CR） at liquid nitrogen temperature（77 K） after hot-rolling.X-ray diffraction measurements indicate that a decrease in SFE leads to a decrease in crystallite size but increase in microstrain,dislocation and twin densities of the CR processed samples.Tensile tests at room temperature indicate that as the stacking fault energy decreases,the strength and ductility increase.The results indicate that decreasing stacking fault energy is an optimum method to improve the ductility without loss of strength.
基金the National Research Foundation of Korea(NRF)grant funded by the Korea government(MSIT)(2020R1A4A3079417)(No.2021R1A2C4002622)by the Future Material Discovery Program of the NRFfunded by the MSIP of Korea(No.2021M3D1A1021236)。
文摘Assessing the stacking fault forming probability(P_(sf)) and stacking fault energy(SFE)in medium-or highMn base structural materials can anticipate and elucidate the microstructural evolution before and after deformation.Typically,these two parameters have been determined from theoretical calculations and empirical results.However,the estimation of SFE values in Fe–Mn–C ternary systems is a longstanding debate due to the complicated nature of carbon:that is,whether the carbon doping indeed plays an important role in the formation of stacking faults;and how the amount of carbon atoms exist at grain boundaries or at internal grains with respect to the nominal carbon doping contents.Herein,the use of atom probe tomography and transmission electron microscopy(TEM)unveils the influence of carbondoping contents on the structural properties of dual-phase Fe–17 Mn–x C(x=0–1.56 at%)steels,such as carbon segregation free energy at grain boundaries,carbon concentration in grain interior,interplanar D-spacings,and mean width of intrinsic stacking faults,which are essential for SFE estimation.We next determined the Psfvalues by two different methods,viz.,reciprocal-space electron diffraction measurements and stacking fault width measurements in real-space TEM images.Then,SFEs in the Fe–17 Mn–x C systems were calculated on the basis of the generally-known SFE equations.We found that the high amount of carbon doping gives rise to the increased SFE from 8.6 to 13.5 m J/m^(2)with non-linear variation.This SFE trend varies inversely with the mean width of localized stacking faults,which pass through both other stacking faults and pre-existingε-martensite plates without much difficulty at their intersecting zones.The high amount of carbon doping acts twofold,through increasing the segregation free energy(due to more carbon at grain boundaries)and large lattice expansion(due to increased soluble carbon at internal grains).The experimental data obtained here strengthens the composition-dependent SFE maps for predicting the deformation structure and mechanical response of other carbon-doped high-Mn alloy compositions.
文摘The stacking fault probability of CoNi alloys with different contents of Ni was measured by X ray diffraction methods. The results show that the stacking fault decreases with increasing Ni content and with increasing temperature. The thermodynamical calculation has found an equation that can express the stacking fault energy γ of CoNi at temperature T . The phase equilibrium temperature depends on the composition of the certain alloy. The relationship between stacking fault energy γ and stacking fault probability P sf is determined.
基金This project was supported by the Natural Science Foundation of Jiangsu Province for Outstanding Youth(BK20160081)the Natural Science Foundation of Jiangsu Province(BK20181020)+2 种基金the Natural Science Foundation of Higher Education Institutions of Jiangsu Province–Key Project(18KJA430008)the“333 Project”of Jiangsu Province(BRA2018338)the Practical Innovative Project for Postgraduates of Jiangsu Province(SJCX19_0493).
文摘Corrosion is one of the most drawbacks which restricts the wide applications of Mg alloys.In the last decade,the corrosion behaviors of Mg alloys with stacking fault(SF)and/or long period stacking ordered(LPSO)structures have obtained increasing attention.However,the corrosion mechanism of the SF–or LPSO–containing Mg alloys has not been well illustrated and even reverse results have been reported.In this paper,we have reviewed recent reports on corrosion behaviors of SF–or LPSO–containing Mg alloys to better clarify and understand the significance and mechanism.Moreover,some deficiencies are presented and advises are proposed for the development of corrosion resistant Mg alloys with SF or LPSO structures.
基金the National Key R&D Program of China(2017YFA0204403)National Natural Science Foundation of China(51601003,51901103)the Fundamental Research Funds for the Central Universities(30918011342).
文摘Due to the insufficient slip systems,Mg and its alloys exhibit poor ductility during plastic deformation at room temperature.To solve this problem,alloying is considered as a most effective method to improve the ductility of Mg alloys,which attracts wide attentions of industries.However,it is still a challenge to understand the ductilization mechanism,because of the complicated alloying elements and their interactions with Mg matrix.In this work,pure Mg and Mg-Y alloys were comparatively studied to investigate the effect of Y addition on microstructure evolution and mechanical properties.A huge increase of uniform elongation,from 5.3%to 20.7%,was achieved via only 3 wt%addition of yttrium.TEM results revealed that the only activated slip system in pure Mg was basalslip,led to its poor ductility at room temperature.In contrast,a large number of stacking faults and non-basal dislocations with<c>component were observed in the deformed Mg-Y alloy,which was proposed as the main reason for significant improvement of strain hardening and ductility.High resolution TEM indicated that most of the stacking faults were II and 12 intrinsic faults,which played a critical role in improving the ductility of Mg-Y alloy.Addition of Y into Mg alloy decreased the stacking fault energy,which induced high density stacking faults in the grain interior.
基金financially supported by the National Natural Science Foundation of China(Nos.51871223,51571198 and 51790482)the LiaoNing Revitalization Talents Program(No.XLYC1808027)。
文摘The variation of stacking fault energy(SFE)in a number of binary Cu alloys is predicted through considering the Suzuki segregation by the full potential linearly augmented plane wave(FPLAPW)method.The calculated results show that some solute atoms(Mg,Al,Si,Zn,Ga,Ge,Cd,Sn,and Pb),which prefer to form the Suzuki segregation,may decrease the value of SFE;while the others(Ti,Mn,Fe,Ni,Zr,Ag,and Au),which do not cause the Suzuki segregation may not decrease the SFE.Furthermore,it is interesting to find that the former alloying elements are located on the right of Cu group while the latter on the left of Cu group in the periodic table of elements.The intrinsic reasons for the new findings can be traced down to the valences electronic structure of solute and Cu atoms,i.e.,the similarity of valence electronic structure between solute and Cu atoms increases the value of SFE,while the difference decreases the value of SFE.
基金This project was supported by the Natural Science Foundation of Jiangsu Province for Outstanding Youth(BK20160081)the Natural Science Foundation of Higher Education Institutions of Jiangsu Province-Key Project(18KJA430008)+2 种基金the Jiangsu Government Scholarship for Overseas Studies,the“333 Project”of Jiangsu Province(BRA2018338)the National Natural Science Foundation of China(51701093)the Outstanding Scientific and Technological Innovation Team in Colleges and Universities of Jiangsu Province.
文摘To develop biodegradable magnesium alloy with desirable corrosion properties,a low Gd-containing Mg-3Gd-1Zn-0.4Zr(wt%,GZ31K)alloy was prepared.The as-cast ingot was solution treated and then hot extruded.Microstructures were characterized by scanning electron microscopy(SEM).Corrosion behavior of the alloy under each condition was studied by hydrogen evolution and quasi in-situ corrosion methods.It has been found that the as-cast alloy is composed ofα-Mg,stacking faults(SFs)at the outer edge of the matrix grains,and eutectic phase along the grain boundaries.After solution treatment,the SFs disappear and precipitates rich in Zn and Zr elements form in the grain interior and boundaries.The microstructure is significantly refined after extrusion.Hydrogen evolution tests show that the as-cast alloy exhibits the best corrosion resistance,and the solution-treated alloy has the worst corrosion resistance.Corrosion rate of the alloy under each condition decreases first and then increases with prolonging immersion time.Corrosion experiments demonstrate thatα-Mg was corroded preferentially,the eutectic phase and precipitates exhibit better corrosion resistance.The as-extruded alloy demonstrates uniform corrosion due to fine and homogeneous microstructure.
基金financial support from the National Natural Science Foundation of China(No.51801179)the Yunnan Science and Technology Projects(Nos.2018ZE001,2019ZE001-1,202002AB080001,2018FB083,and 2018FD011)。
文摘The Pt3Hf compound plays a decisive role in strengthening Pt-Hf alloy systems.Evaluating the stacking fault,dislocation dissociation,and twinning mechanisms in Pt3Hf is the first step in understanding its plastic behavior.In this work,the generalized stacking fault energies(GSFE),including the complex stacking fault(CSF),the superlattice intrinsic stacking fault(SISF),and the antiphase boundary(APB) energies,are calculated using firstprinciples calculations.The dislocation dissociation,deformation twinning,and yield behavior of Pt3Hf are discussed based on GSFE after their incorporation into the Peierls-Nabarro model.We found that the unstable stacking fault energy(γus) of(111)APB is lower than that of SISF and(010) APB,implying that the energy barrier and critical stress required for(111)APB generation are lower than those required for(010)APB formation.This result indicates that the a<110> superdislocation will dissociate into two collinear a/2<110> superpartial dislocations.The a/2<110> dislocation could further dissociate into a a/6<112> Shockley dislocation and a a/3<211> superShockley dislocation connected by a SISF,which results in an APB→SISF transformation.The study also discovered that Pt3 Hf exhibits normal yield behavior,although the cross-slip of a a/2<110> dislocation is not forbidden,and the anomalous yield criterion is satisfied.Moreover,it is observed that the energy barrier and critical stress for APB formation increases with increasing pressure and decreases as the temperature is elevated.When the temperature rises above 1400 K,the a/2<110> dislocation slipping may change from the {111} planes to the {100} planes.
基金the financial support from the National MCF Energy R&D Program of China (2018YFE0306100)the National Natural Science Foundation of China (51971249)the State Key Laboratory for Powder Metallurgy,Central South University,Changsha,China
文摘First-principles calculations were performed to investigate the structures and energetics of {101n} coherent twin boundaries(CTBs) and glide twin boundaries(GTBs) in hexagonal close-packed(hcp) Ti. The formation mechanism of GTBs and their correlation with twin growth were fundamentally explored. Results suggested that GTBs can form from the gliding of CTBs, through their interaction with basal stacking fault. The gliding eventually restored the CTB structures by forming a pair of single-layer twinning disconnections. The pile-up of twinning disconnections should be responsible for the wide steps at twin boundaries as observed in high-resolution transmission electron microscopy, which can further promote twin growth. Possible effects of various alloying elements on pinning twin boundaries were also evaluated, to guide the strengthening design of Ti alloys.
文摘The magnetic response, microstructural and texture changes occurring during cold rolling of a Fe-14Mn-0.64C-2.4AI-0.25Si medium stacking fault energy TWlP （twinning induced plasticity） steel have been studied by X-ray diffraction and magnetic techniques. The changes in the sub-grain size （Ds）, probability of stacking fault formation （Psf） and microstrain in the material as cold rolling progressed were determined by using a modified version of the Williamson and Hall equation. A strong development of the crystallographic texture with increasing deformation was observed. Deformation-induced formation of a small fraction α＇-martensite was observed, indicating that the steel also exhibits γ→α＇-martensite transformation during cold rolling, which is discussed via the changes of the stacking-fault probability and the texture development during cold rolling.
基金financially supported by the National Natural Science Foundation of China(No.50804005)Special Fund from the Central Collegiate Basic Scientific Research Bursary of China(No.FRF-TP-11-005B)
文摘Texture and microstructure evolution in two kinds of the twinning induced plasticity （TWIP） steels （Fe-Mn- Si-AI and Fe-Mn-C） with diverse stacking fault energies during tensile testing were investigated by interrupted testing. The strain-hardening rate curves of the two steels were quite similar, but the texture characterization curves （maximum of pole density measured by X-ray diffraction） were varied. According to the curvature of max pole density curves, the evolution of the texture and the microstructure can be divided into three stages： low strain stage, medium stage and high stage. In low strain stage the difference of the microstructure came from the intensity of dislocation, which was much smaller in Fe-Mn-Si-AI. The main difference of the microstructure in medium and high strain stages originated from the numbers of activated twin systems. There were more than one twin systems activated in Fe-Mn-C, while only a single twin system activated in Fe-Mn-Si-AI. Texture showed various differences in the whole tensile process because it was affected by their micromechanism, such as concentration of the dislocation and the activation of twin systems. Texture in low strain stage was connected with annealing twin; the evolution ofthe texture was mainly induced by deformation twin generation. More than one activated twin systems in medium and high stages may counteract each other in the view of concentration of the grain orientations.
