The Role of Nd Solid-Solution and Grain-Boundary Segregation in Binary NiAl Intermetallic Compound

The role of Nd solid-solution and grain-boundary segregation in binary NiAl alloy was studied based on microhardness and compressive macrostrain. X-ray and Auger spectra studies indicate that Nd not only is soluble in grain interiors, but also segregates to the grain boundaries. Nd solid-solution induces an increase of the microhardness from 269 to 290 HV in grain interiors and segregation results in an enhancement of hardness from 252 to 342 HV on grain boundaries. Thus, the cohesion of grain boundaries is enhanced by Nd segregation, which make the alloy doped with 0.05 wt pct Nd exhibit more compressive microstrain, i.e. the higher the compressive ductility at room temperature, the better the final surface condition at elevated temperature. Finally, a discussion was made on the reason that Nd strengthens the grain boundaries in NiAl intermetallic alloy.

Experimental observation and computer simulation on non-equilibrium grain-boundary segregation kinetics of phosphorus

An experimental study and computer simulation on non-equilibrium grain-boundary segregation kinetics and the critical time for phosphorus in 12Cr1MoV steel(which is used in steam pipeline of ships)are put forward in this paper. The segregation level of phosphorus with solution temperature 1050℃ at the isothermal holding temperature of 540℃,have been measured at grain-boundaries. A non-equilibrium grain-boundary segregation kinetics curve of phosphorus is given. The critical time for phosphorus non-equilibrium grain-boundary segregation is about 500h at 540℃ for the experimental steel. When the holding time is longer than 1500h, non-equilibrium segregation disappears and the level of segregation reaches full equilibrium. The simulation using the kinetic equations of non-equilibrium grain-boundary segregation is in good accordance with the experimental observation for phosphorus in steel 12Cr1MoV. The non-equilibrium grain-boundary segregation kinetic model is therefore proved.

Non-Equilibrium Grain-Boundary Segregation of Phosphorus And the Effective Time in Step Cooling Process

The non-equilibrium grain-boundary segregation of phosphorus in step cooling process in an industrial steel, 12CrlMoV, is studied based on the effective-time-method and compared with that in isothermal holding process. The non-equilibrium grain-boundary segregation concentration of phosphorus was measured with Auger Electron Spectroscopy (AES) and calculated based on the kinetic equations of non-equilibrium grain-boundary segregation. Results show that the calculated result is in good accordance with the experimental observation.

Grain-boundary segregation and grain growth in nanocrystalline substitutional solid solution alloys

A model for describing solute segregation at grain boundaries has been developed for substitutional solid solution alloys,which integrates multiple factors from atomic to microstructural scales.A concept of mo-lar Gibbs free energy of segregation was introduced to evaluate the segregating capability of the solute elements in a closed system,through which the influences of grain boundary structure,grain size,ma-terial composition,and external conditions were described.Based on the evaluation of various energy forms related to solute segregation and grain growth processes,the nature of the thermal stabilization of nanograin structures by solute segregation was disclosed.A criterion for the destabilization of nanostruc-tures,which is determined by the competition of the change rates between the molar Gibbs free energy of segregation and the total energy of grain boundaries with grain size,has been proposed.This study provided guideline to achieve high-temperature stability of nanograin structures of solid solution alloys even for the weakly segregating nanocrystalline systems.

Effect of granular shape on radial segregation in a two-dimensional drum

Granular segregation is widely observed in nature and industry.Most research has focused on segregation caused by differences in the size and density of spherical grains.However,due to the fact that grains typically have different shapes,the focus is shifting towards shape segregation.In this study,experiments are conducted by mixing cubic and spherical grains.The results indicate that spherical grains gather at the center and cubic grains are distributed around them,and the degree of segregation is low.Through experiments,a structured analysis of local regions is conducted to explain the inability to form stable segregation patterns with obviously different geometric shapes.Further,through simulations,the reasons for the central and peripheral distributions are explained by comparing velocities and the number of collisions of the grains in the flow layer.

Effect of casting process on the inner-wall band segregation of high-strength antisulfur pipes

Controlling inner-wall band segregation is one of the difficulties in the production of high-strength antisulfur pipes.Comparative tests were carried out on different casting processes(superheat,mold electromagnetic stirring,end electromagnetic stirring,casting speed and soft reduction)for the smelting of high-strength antisulfur pipes.The microstructures of continuous-casting billets and hot-rolled or tempered pipes were analyzed using a metallographic microscope and scanning electron microscope.The mechanism and evolution law regarding the inner-wall band segregation of high-strength antisulfur pipes were studied,and the influence of different casting processes was explored.

The occurrence,inheritance,and segregation of complex genomic structural variation in synthetic Brassica napus

"Synthetic"allopolyploids recreated by interspecific hybridization play an important role in providing novel genomic variation for crop improvement.Such synthetic allopolyploids often undergo rapid genomic structural variation(SV).However,how such SV arises,is inherited and fixed,and how it affects important traits,has rarely been comprehensively and quantitively studied in advanced generation synthetic lines.A better understanding of these processes will aid breeders in knowing how to best utilize synthetic allopolyploids in breeding programs.Here,we analyzed three genetic mapping populations(735 DH lines)derived from crosses between advanced synthetic and conventional Brassica napus(rapeseed)lines,using whole-genome sequencing to determine genome composition.We observed high tolerance of large structural variants,particularly toward the telomeres,and preferential selection for balanced homoeologous exchanges(duplication/deletion events between the A and C genomes resulting in retention of gene/chromosome dosage between homoeologous chromosome pairs),including stable events involving whole chromosomes("pseudoeuploidy").Given the experimental design(all three populations shared a common parent),we were able to observe that parental SV was regularly inherited,showed genetic hitchhiking effects on segregation,and was one of the major factors inducing adjacent novel and larger SV.Surprisingly,novel SV occurred at low frequencies with no significant impacts on observed fertility and yield-related traits in the advanced generation synthetic lines.However,incorporating genome-wide SV in linkage mapping explained significantly more genetic variance for traits.Our results provide a framework for detecting and understanding the occurrence and inheritance of genomic SV in breeding programs,and support the use of synthetic parents as an important source of novel trait variation.

No basalt accumulation and segregation atop the 660-km discontinuity beneath the Sea of Okhotsk

Recent seismic evidence shows that basalt accumulation is widespread in the mantle transition zone(MTZ),yet its ubiquity or sporadic nature remains uncertain.To investigate this phenomenon further,we characterized the velocity structure across the 660-km discontinuity that separates the upper mantle from the lower mantle beneath the Sea of Okhotsk by modeling the waveform of the S660P phase,a downgoing S wave converting into a P wave at the 660-km interface.These waves were excited by two regional>410-km-deep events and were recorded by stations in central Asia.Our findings showed no need to introduce velocity anomalies at the base of the MTZ to explain the S660P waveforms because the IASP91 model adequately reproduced the waveforms.This finding indicates that the basalt accumulation has not affected the bottom of the MTZ in the study area.Instead,this discontinuity is primarily controlled by temperature or water content variations,or both.Thus,we argue that the basalt accumulation at the base of the MTZ is sporadic,not ubiquitous,reflecting its heterogeneous distribution.

Microstructure,segregation and precipitate evolution in directionally solidified GH4742 superalloy

The evolution of microstructure,elemental segregation,and precipitation in GH4742 superalloy under a wide range of cooling rates was investigated using zonal melting liquid metal cooling(ZMLMC) experiments.Comparing various nickel-based superalloys,the primary dendrite spacing is significantly linearly correlated with G^(-1/2)V^(-1/4) at high cooling rates,where G and V are temperature gradient and drawing rate,respectively.As the cooling rate decreases,the primary dendrite spacing increases in a dispersive manner.The secondary dendrite arm spacing is significantly correlated with(GV)^(-0.4) for all cooling rate ranges.The degree of elemental segregation increases and then decreases as the cooling rate increases,which is due to the competition between solute counter-diffusion and dendrite tip subcooling.With increasing the solidification rate,the size of γ′,carbides,and non-metallic inclusions gradually decreases.The morphology of the γ′ precipitate changes from plume-like to cubic to spherical.The morphology of carbide changes from block to fine-strip then to Chinese-script.The morphology of carbide is controlled by both dendrite interstitial shape and element diffusion.The inclusions are mainly composite inclusions,which usually show the growth of Ti(C,N) with oxide as the heterogeneous nucleation center and carbide on the outer surface of the carbonitride.As the cooling rate increases,the number density of composite inclusions first increases and then decreases,which is closely related to the elemental segregation behavior.

Atomic-scale insights of indium segregation and its suppression by GaAs insertion layer in InGaAs/AlGaAs multiple quantum wells

The In segregation and its suppression in InGaAs/AlGaAs quantum well are investigated by using high-resolution x-ray diffraction(XRD)and photoluminescence(PL),combined with the state-of-the-art aberration corrected scanning transmission electron microscopy(Cs-STEM)techniques.To facility our study,we grow two multiple quantum wells(MQWs)samples,which are almost identical except that in sample B a thin GaAs layer is inserted in each of the InGaAs well and AlGaAs barrier layer comparing to pristine InGaAs/AlGaAs MQWs(sample A).Our study indeed shows the direct evidences that In segregation occurs in the InGaAs/AlGaAs interface,and the effect of the Ga As insertion layer on suppressing the segregation of In atoms is also demonstrated on the atomic-scale.Therefore,the atomic-scale insights are provided to understand the segregation behavior of In atoms and to unravel the underlying mechanism of the effect of GaAs insertion layer on the improvement of crystallinity,interface roughness,and further an enhanced optical performance of InGaAs/AlGaAs QWs.

Theoretical progress in non-equilibrium grain-boundary segregation (Ⅰ): Thermally induced non-equilibrium grain-boundary segregation and intergranular embrittlement

The research progress of non-equilibrium grain-boundary segregation theories in the last 20 years is reviewed. Based on studies by the present authors, the critical time of non-equilibrium segregation and its impact on the development of non-equilibrium segregation theories are described. Quasi- thermo- dynamics and kinetics for thermal non-equilibrium grain boundary segregation are detailed along with a non-equilibrium grain boundary cosegregation model. The experimental validation of the theories and their application to the reversible temper embrittlement of steels and the intermediate temperature brittleness in metals and alloys are also addressed.

Stretchable alkenamides terminated Ti_(3)C_(2)T_(x)MXenes to release strain for lattice-stable mixed-halide perovskite solar cells with suppressed halide segregation

Bandgap-tunable mixed-halide perovskite materials have attracted considerable interest because of their indispensability as top counterparts in tandem solar cells.However,the soft and disordered lattice always suffers from severe phase segregation under illumination,which is particularly susceptible to residual lattice strain.Herein,we report a strain regulation strategy by using alkenamides terminated Ti_(3)C_(2)T_(x)MXenes as an additive into perovskite precursor.Apart from the role of a template for grain growth to obtain high-quality films,the stretchable alkyl chain promotes lattice shrinkage or expansion to form an elastic grain boundary to eliminate the spatially distributed stain and shut down ion migration channels.As a result,the all-inorganic perovskite solar cells based on CsPbIBr_(2)and CsPbI_(2)Br halides achieve prolonged device stability under harsh conditions and the best power conversion efficiencies up to 11.06%and 14.30%,respectively.

Experimental investigation of the mixing efficiency via intensity of segregation along axial direction of a rotating bar reactor

As a significant index to evaluate the mixing efficiency,studying the concentration distribution is directly related to the intensity of segregation(I_(s)).In this work,the I_(s) of the mixture composed of NaCl solutionwater was investigated experimentally in a rotating bar reactor(RBR)by the conductivity method.The results showed that the mixing efficiency was improved along the axial direction from the bottom to the top in the RBR.The concentration distribution at the bottom section was more uneven,and I_(s) was higher compared with the top section,which decreased from 6.53×10^(-5)to 1.57×10^(-7).With the increase of rotational speed from 0 to 700 r·min^(-1),I_s at the bottom and top sections decreased from 4.27×10^(-3)to 7.10×10^(-5)and from 1.93×10^(-3)to 7.29×10^(-7),respectively.The increases flow rate of solution A,and the decreases of concentration of NaCl and flow rate of solution B gave rise to the reduction of I_(s),signifying an improved mixing efficiency.The results revealed that the conductivity method used in this paper has high efficiency and low cost to measure the I_(s),which indicates a promising prospect for estimating reactors'mixing performance.

Premature failure induced by non-equilibrium grain-boundary tantalum segregation in air-plasma sprayed ZrO_(2)-YO_(1.5)-TaO_(2.5)thermal barrier coatings

ZrO_(2)-YO_(1.5)-TaO_(2.5)(ZYTO)is a promising top-coat material for thermal barrier coatings(TBCs).The bulk properties of ZYTO have been reported by several studies,but its performances as TBCs are less-well understood.In this work,ZYTO TBCs were prepared by air plasma spraying(APS)and their thermal cycling performances were investigated at 1150℃.Despite of the good bulk properties,APS ZYTO TBCs present an extremely short thermal fatigue life.This is attributed to the non-equilibrium grain-boundary segregation of TaO_(2.5) induced by limited solubility and rapid quenching during APS process,resulting in a tetragonal(t)to cubic(c)and metastable-tetragonal(tm)phase transformation in ZYTO TBCs.The volume shrinkage(~0.74vol%)of phase transformation leads to many cracks at the c/tm phase boundaries after deposition.On the other hand,the formation of cubic phase with massive grain-boundary Ta segregation induces a large intergranular embrittlement and a weak bonding strength(~5.3 MPa),resulting in the premature failure of the ZYTO TBCs.

Moisture-Induced Non-Equilibrium Phase Segregation in Triple Cation Mixed Halide Perovskite Monitored by In Situ Characterization Techniques and Solid-State NMR

Environmental stability is a major bottleneck of perovskite solar cells.Only a handful of studies are investigating the effect of moisture on the structural degradation of the absorber.They mostly rely on ex situ experiments and on completely degraded samples,which restrict the assessment on initial and final stage.By combining in situ X-ray diffraction under controlled 85%relative humidity,and live observations of the water-induced degradation using liquid-cell transmission electron microscopy,we reveal two competitive degradation paths leading on one hand to the decomposition of state-of-theart mixed cation/anion(Cs_(0.05)(MA_(0.17)FA_(0.83))_(0.95)Pb(Br_(0.17)I_(0.83))_(3)(CsMAFA)into PbI_(2) through a dissolution/recrystallization mechanism and,on the other hand,to a non-equilibrium phase segregation leading to CsPb_(2)Br_(5) and a Cesium-poor/iodide-rich Cs_(0.05)-x(MA_(0.17)FA_(0.83))_(0.95)Pb(Br_(0.17-2y)I_(0.83)+2y)_(3) perovskite.This degradation mechanism is corroborated at atomic-scale resolution through solid-state ^(1)H and ^(133)Cs NMR analysis.Exposure to moisture leads to a film containing important heterogeneities in terms of morphology,photoluminescence intensities,and lifetimes.Our results provide new insights and consensus that complex perovskite compositions,though very performant as champion devices,are comparatively metastable,a trait that limits the chances to achieve long-term stability.

Theoretical progress in non-equilibrium grain-boundary segregation (II):Micro-mechanism of grain boundary anelastic relaxation and its analytical formula

Finding the internal-friction peak of grain boundary anelastic relaxation was one of the important breakthroughs in the study of internal friction in the last century.But the micro-mechanism of grain boundary anelastic relaxations is still obscure.Based on the observations of the grain boundary seg-regation or depletion of solute induced by an applied stress,the following micro-mechanism was suggested:grain-boundaries will work as sources to emit vacancies when a compressive stress is exerted on them and as sinks to absorb vacancies when a tensile stress is exerted,inducing grain-boundary depletion or segregation of solute,respectively.The equations of vacancy and solute con-centrations at grain boundaries were established under the equilibrium of grain-boundary anelastic relaxation.With these the kinetic equations were established for grain boundary segregation and depletion during the grain boundary relaxation progress.

Non-equilibrium Grain-boundary Segregation of Phosphorus in an Fe-17Cr Alloy

In order to confirm the segregation characteristic of phosphorus in an Fe-17Cr alloy at grain boundary, the phosphorus segregation was obtained by Auger electron spectroscopy. The results show that a maximum phosphorus segregation appeared at 450 ℃ for all specimens aged for 30 rain at 350, 400, 450, 500, and 600 ℃ after being solution-treated at 1 000 ℃ for 1 h. These results were analyzed by the characteristics of segregation peak temperature of non-equilibrium segregation.

First-principle investigation of bismuth segregation atΣ5 (012) grain-boundaries in nickel

As an aid in establishing an understanding on the electronic level, the influence of bismuth on the cohesion of nickelΣ5 (012) grain boundary was determined using the plane wave pseudopotential (PWPP) method with the generalized gradient approximation. Based on the Rice-Wang model, the total energy calculations show that Bi behaves as an embrittler of the Ni grain-boundary, which predicts the experimentally known behavior. The total charge density, and difference charge density of the grain boundary also demonstrats that the Bi atom forms weaker bonds with neighboring Ni atoms in the grain boundary region. Total density of states (DOS) show that there exists significant covalent bonding for the grain boundary system with Bi segregated which help to embrittle the grain boundary and the change that Ni local d-DOS is narrowed due to segregation of Bi is also beneficial for the decohesion.

Element segregation behavior of aluminum-copper alloy ZL205A

In aluminum-copper alloy, the segregation has a severe bad effect on the alloying degree, strength and corrosion resistance. A deeper understanding of element segregation behavior will have a great signif icance on the prevention of segregation. In the study, the element segregation behavior of ZL205 A aluminum-copper alloy was investigated by examining isothermally solidifi ed samples using scanning electron microscopy and energy dispersive spectroscopy. The calculated results of segregation coeffi cients show that Cu and Mn are negative segregation elements; while Ti, V and Zr are positive segregation elements. The sequence of element segregation degree from the greatest to the least in ZL205 A alloy is Cu, Mn, V, Ti, Zr and Al. The density of residual liquid is expected to increase with a decrease in the quenching temperature ranging from 630 ℃ to 550 ℃. The calculated results conf irm that the quenching temperature has an insignif icant effect on the liquid density; and the variation of density is mainly due to element segregation. Consequently, segregations of Al, Cu and Mn lead to an increase in density, but Ti, V and Zr present the opposite effect. The contribution of each element to the variation of the liquid density was analyzed. The sequence of contributions of alloying elements to the variation of total liquid density is Cu>Al>Mn>V>Ti>Zr.

EFFECT OF P，S AND Si ON THE SOLIDIFICATION，SEGREGATION，MICROSTRUCTURE AND MECHANICAL PROPERTIES IN Fe－Ni BASE SUPERALLOYS

The effects of the trace elements, P, S and Si,on the solidification, segregation,microstructure and mechanical properties of GH761 and In718 alloys were studied.It was found that the segregation of the P,S and Si can be greatly aggravated or relieved by the precipitation taking place during the solidification. In the heat treated state,P enhances the intergranular precipitation in the GH761 alloy.The refinement of P in In718 alloy causes the appearance of a film-like δphase.Si increases the intergranular precipitation of the M_6C and the Laves Phase in the In718 alloy.P, S and Si play diverse roles in the tensile and the stress rupture properties of the GH761 and In718 alloys. The most striking effect is that P significantly prolongs the stress rupture lives of the GH761 and In718 alloys in a wide range of 0.00050.015 wt% .The mechanisms by which P,S and Si influence the superalloys are discussed in the text.