The additive manufacturing(AM)of Ni-based superalloys has attracted extensive interest from both academia and industry due to its unique capabilities to fabricate complex and high-performance components for use in hig...The additive manufacturing(AM)of Ni-based superalloys has attracted extensive interest from both academia and industry due to its unique capabilities to fabricate complex and high-performance components for use in high-end industrial systems.However,the intense temperature gradient induced by the rapid heating and cooling processes of AM can generate high levels of residual stress and metastable chemical and structural states,inevitably leading to severe metallurgical defects in Ni-based superalloys.Cracks are the greatest threat to these materials’integrity as they can rapidly propagate and thereby cause sudden and non-predictable failure.Consequently,there is a need for a deeper understanding of residual stress and cracking mechanisms in additively manufactured Ni-based superalloys and ways to potentially prevent cracking,as this knowledge will enable the wider application of these unique materials.To this end,this paper comprehensively reviews the residual stress and the various mechanisms of crack formation in Ni-based superalloys during AM.In addition,several common methods for inhibiting crack formation are presented to assist the research community to develop methods for the fabrication of crack-free additively manufactured components.展开更多
A model system consisting of Ni[001]（100）/Ni3Al[001]（100） multi-layers are studied using the density functional theory in order to explore the elastic properties of single crystal Ni-based superalloys. Simulation ...A model system consisting of Ni[001]（100）/Ni3Al[001]（100） multi-layers are studied using the density functional theory in order to explore the elastic properties of single crystal Ni-based superalloys. Simulation results are consistent with the experimental observation that rafted Ni-base superalloys virtually possess a cubic symmetry. The convergence of the elastic properties with respect to the thickness of the multilayers are tested by a series of multilayers from 2γ′＋2γto 10γ′＋10γ atomic layers. The elastic properties are found to vary little with the increase of the multilayer＇s thickness. A Ni/Ni3Al multilayer with 10γ′＋10γ atomic layers （3.54 nm） can be used to simulate the mechanical properties of Ni-base model superalloys. Our calculated elastic constants, bulk modulus, orientation-dependent shear modulus and Young＇s modulus, as well as the Zener anisotropy factor are all compatible with the measured results of Ni-base model superalloys R1 and the advanced commercial superalloys TMS-26, CMSX-4 at a low temperature. The mechanical properties as a function of the γ′ phase volume fraction are calculated by varying the proportion of the γ and γ′ phase in the multilayers. Besides, the mechanical properties of two-phase Ni/Ni3Al multilayer can be well predicted by the Voigt-Reuss-Hill rule of mixtures.展开更多
Powder metallurgy（PM） superalloys are an important class of high temperature structural materials, key to the rotating components of aero engines. In the purview of the present challenges associated with PM superall...Powder metallurgy（PM） superalloys are an important class of high temperature structural materials, key to the rotating components of aero engines. In the purview of the present challenges associated with PM superalloys, two novel approaches namely, powder preparation and the innovative spray-forming technique（for making turbine disk） are proposed and studied.Subsequently, advanced technologies like electrode-induction-melting gas atomization（EIGA）, and spark-plasma discharge spheroidization（SPDS） are introduced, for ceramic-free superalloy powders. Presently, new processing routes are sought after for preparing finer and cleaner raw powders for disk superalloys. The progress of research in spray-formed PM superalloys is first summarized in detail. The spray-formed superalloy disks specifically exhibit excellent mechanical properties. This paper reviews the recent progress in innovative technologies for PM superalloys, with an emphasis on new ideas and approaches, central to the innovation driving techniques like powder processing and spray forming.展开更多
Density functional theory calculations in conjunction with the climbing images nudged elastic band method are conducted to study the diffusion phenomena of the Ni-based single crystal superalloys.We focus our attentio...Density functional theory calculations in conjunction with the climbing images nudged elastic band method are conducted to study the diffusion phenomena of the Ni-based single crystal superalloys.We focus our attention on the diffusion processes of the Ni and Al atoms in the γ and γ ’ phases along the direction perpendicular to the interface.The diffusion mechanisms and the expressions of the diffusion coefficients are presented.The vacancy formation energies,the migration energies,and the activation energies for the diffusing Ni and Al atoms are estimated,and these quantities display the expected and clear transition zones in the vicinity of the interface of about 3–7（002） layers.The local density-of-states profiles of atoms in each（002） layer in the γ and γ ’ phases and the partial density-of-states curves of Re and some of its nearest-neighbor atoms are also presented to explore the electronic effect of the diffusion behavior.展开更多
Atomistic characterization of chemical element distribution is crucial to understanding the role of alloying elements for strengthening mechanism of superalloy. In the present work, the site preferences of two alloyin...Atomistic characterization of chemical element distribution is crucial to understanding the role of alloying elements for strengthening mechanism of superalloy. In the present work, the site preferences of two alloying elements X -Y in γ-Ni of Ni-based superalloy are systematically studied using first-principles calculations with and without spin-polarization. The doping elements X and Y are chosen from the 27 kinds of 3 d, 4 d, 5 d group transition metals（Sc, Ti, V, Cr, Mn, Fe, Co,Cu, Zn, Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Ag, Cd, Hf, Ta, W, Re, Os, Ir, Pt, Au） and Al. We find that the spin-polarized calculations for Re-Re, Re-Ru, Re-Cr, Ru-Cr show a strong chemical binding affinity between the solute elements and are more consistent with the experimental results. The binding energies of pairs between the 28 elements have an obvious periodicity and are closely related the electronic configuration of the elements. When the d-electrons of the element are close to the half full-shell state, two alloying elements possess attractive binding energies, reflecting the effect of the Hund＇s rule. The combinations of early transition metals（Sc, Ti, V, Y, Zr, Nb, Hf, Ta） have a repulsive interaction in γ-Ni. These results offer insights into the role of alloying elements for strengthening mechanism of superalloy.展开更多
Super-clean and super-spherical FGH4095 superalloy powder is produced by the ceramic-free electrode inductionmelt inert gas atomization（EIGA） technique.A continuous and steady-state liquid metal flow is achieved at ...Super-clean and super-spherical FGH4095 superalloy powder is produced by the ceramic-free electrode inductionmelt inert gas atomization（EIGA） technique.A continuous and steady-state liquid metal flow is achieved at high-frequency（350 k Hz） alternating current and high electric power（100 k W）.The superalloy is immersed in a high-frequency induction coil,and the liquid metal falling into a supersonic nozzle is atomized by an Ar gas of high kinetic gas energy.Numerical calculations are performed to optimize the structure parameters for the nozzle tip.The undesired oxidation reaction of alloying elements starts at 1000℃ with the reaction originating from the active sites on the powder surfaces,leading to the formation of oxides,MexOy.The role of active sites and kinetic factors associated with the diffusion of oxygen present in the atomization gas streams are also examined.The observed results reveal that the oxidation process occurring at the surface of the produced powders gradually moves toward the core,and that there exists a clear interface between the product layer and the reactant.The present study lays a theoretical foundation for controlling the oxidation of nickel-based superalloy powders from the powder process step.展开更多
The mosaic structure in a Ni-based single-crystal superalloy is simulated by molecular dynamics using a potential employed in a modified analytic embedded atom method. From the calculated results we find that a closed...The mosaic structure in a Ni-based single-crystal superalloy is simulated by molecular dynamics using a potential employed in a modified analytic embedded atom method. From the calculated results we find that a closed threedimensional misfit dislocation network, with index of （011）{100} and the side length of the mesh 89.6A, is formed around a cuboidal γ′ precipitate. Comparing the simulation results of the different mosaic models, we find that the side length of the mesh only depends on the lattice parameters of the γ and γ′ phases as well as the γ/γ′ interface direction, but is independent of the size and number of the cuboidal γ′ precipitate. The density of dislocations is inversely proportional to the size of the cuboidal γ′ precipitate, i.e. the amount of the dislocation is proportional to the total area of the γ/γ′ interface, which may be used to explain the relation between the amount of the fine γ′ particles and the creep rupture life of the superalloy. In addition, the closed three-dimensional networks assembled with the misfit dislocations can play a significant role in improving the mechanical properties of superalloys.展开更多
The effect of H impurity on the misfit dislocation in Ni-based single-crystal superalloy is investigated using the molecular dynamic simulation. It includes the site preferences of H impurity in single crystals Ni and...The effect of H impurity on the misfit dislocation in Ni-based single-crystal superalloy is investigated using the molecular dynamic simulation. It includes the site preferences of H impurity in single crystals Ni and Ni3Al, the interaction between H impurity and the misfit dislocation and the effect of H impurity on the moving misfit dislocation. The calculated energies and simulation results show that the misfit dislocation attracts H impurity which is located at the γ/γ′ interface and Ni3Al and H impurity on the glide plane can obstruct the glide of misfit dislocation, which is beneficial to improving the mechanical properties of Ni based superalloys.展开更多
Laser-induced breakdown spectroscopy （LIBS） was developed to detect aluminum in nickel-based superalloys （K417, GH4033, DZ125L, З ∏742y） using a non-intensified, non-gated, low-cost detection system. The precisi...Laser-induced breakdown spectroscopy （LIBS） was developed to detect aluminum in nickel-based superalloys （K417, GH4033, DZ125L, З ∏742y） using a non-intensified, non-gated, low-cost detection system. The precision of LIBS depends strongly on the experimental conditions. The calibration curves of Al（I）394.4 nm and Al（I）396.2 nm under the optimum experimental parameters are presented. Finally the limit of detection （LOD） for aluminum is calculated from the experimental data, which is in the range of 0.09% to 0.1% by weight.展开更多
An Ni-AI-Co system embedded-atom-method potential is constructed for the γ（Ni）/γ＇（Ni3A1） superalloy based on experiments and first-principles calculations. The stacking fault energies （SFEs） of the Ni（Co, A1...An Ni-AI-Co system embedded-atom-method potential is constructed for the γ（Ni）/γ＇（Ni3A1） superalloy based on experiments and first-principles calculations. The stacking fault energies （SFEs） of the Ni（Co, A1） random solid solutions are calculated as a function of the concentrations of Co and A1. The calculated SFEs decrease with increasing concentrations of Co and A1, which is consistent with the experimental results. The embedding energy term in the present potential has an important influence on the SFEs of the random solid solutions. The cross-slip processes of a screw dislocation in homogenous Ni（Co） solid solutions are simulated using the present potential and the nudged elastic band method. The cross-slip activation energies increase with increasing Co concentration, which implies that the creep resistance of γ（Ni） may be improved by the addition of Co.展开更多
The performances of ceramic inserts in cutting nickel-based alloy were investigated. A new cutting test-bed was devised and used to deburr. The burr height on the working surface with notch wear in deburring cutting w...The performances of ceramic inserts in cutting nickel-based alloy were investigated. A new cutting test-bed was devised and used to deburr. The burr height on the working surface with notch wear in deburring cutting was compared with that in normal cutting. The impact force, impact pressure, and impact frequency of the saw-tooth-shaped chip edge on rake face and cutting edge at different speeds were calculated, and the influence of chip edge on notch wear formation was analyzed. A new tool design for reducing notch wear was presented, which is flexible and can deburr effectively.展开更多
The effect of electromagnetic stirring on the inner quality of K417 superalloy ingots is studied with EPMA and optical microscope.The results show that while an electromagnetic stirring with 50Hz frequency and 80A cur...The effect of electromagnetic stirring on the inner quality of K417 superalloy ingots is studied with EPMA and optical microscope.The results show that while an electromagnetic stirring with 50Hz frequency and 80A current is imposed,the equiax crystals of K417 superalloy ingots can be effectively refined and increased,and the central shrinkage porosity and the dendritic segregation of K417 superalloy ingots are greatly reduced,so the inner quality of K417 superalloy ingots is obviously improved.展开更多
The phase partition and site preference of Re atoms in a ternary Ni-Al-Re model alloy,including the electronic structure of different Re configurations,are investigated with first-principles calculations and atom prob...The phase partition and site preference of Re atoms in a ternary Ni-Al-Re model alloy,including the electronic structure of different Re configurations,are investigated with first-principles calculations and atom probe tomography.The Re distribution of single,nearest neighbor(NN),next-nearest neighbor(NNN),and cluster configurations are respectively designed in the models withγandγphases.The results show that the Re atoms tend to enteringγphase and the Re atoms prefer to occupy the Al sites inγphase.The Re cluster with a combination of NN and NNN Re-Re pair configuration is not preferred than the isolated Re atom in the Ni-based superalloys,and the configuration with isolated Re atom is more preferred in the system.Especially,the electronic states are analyzed and the energetic parameters are calculated.The electronic structure analyses show there exists strong Ni-Re electronic interaction and it is mainly contributed by the d-d hybridization.The characteristic features of the electronic states of the Re doping effects are also given.It is also found that Re atoms prefer the Al sites inγside at the interface.The density of states at or near the Fermi level and the d-d hybridizations of NN Ni-Re are found to be important in the systems.展开更多
The deposited billet of a new type powder metallurgy （PM） superalloy FGH4095M for use in turbine disk manufac- turing has been fabricated using spray forming technology. The metallurgical quality of the deposited bi...The deposited billet of a new type powder metallurgy （PM） superalloy FGH4095M for use in turbine disk manufac- turing has been fabricated using spray forming technology. The metallurgical quality of the deposited billet was analyzed in terms of density, texture, and grain size. Comparative research was done on the microstructure and mechanical properties between the flat disk preform prepared with hot isostatic pressing （HIP） and the same alloy forgings prepared with HIP followed by isothermal forging （IF）. The results show that the density of the spray-formed and nitrogen-atomized deposit billet is above 99% of the theoretical density, indicating a compact structure. The grains are uniform and fine. The billet has weak texture with a random distribution in the spray deposition direction and perpendicular to the direction of deposition. A part of atomizing nitrogen exists in the preform in the form of carbonitride. Nitrogen-induced microporosity causes the density reduction of the preform. Compared with the process of HIP＋IF, the superalloy FGH4095M after HIP has better mechanical properties at both room temperature and high temperature. The sizes of the 7~ phase are finer in microstructure of the preform after HIP in comparison with the forgings after HIP＋IE This work shows that SF＋HIP is a viable processing route for FGH4095M as a turbine-disk material.展开更多
The doping effects on the stacking fault energies(SFEs),including the superlattice intrinsic stacking fault and superlattice extrinsic stacking fault,were studied by first principles calculation of the/phase in the Ni...The doping effects on the stacking fault energies(SFEs),including the superlattice intrinsic stacking fault and superlattice extrinsic stacking fault,were studied by first principles calculation of the/phase in the Ni-based superalloys.The formation energy results show that the main alloying elements in Ni-based superalloys,such as Re,Cr,Mo,Ta,and W,prefer to occupy the Al-site in Ni3 AI,Co shows a weak tendency to occupy the Ni-site,and Ru shows a weak tendency to occupy the Al-site.The SFE results show that Co and Ru could decrease the SFEs when added to fault planes,while other main elements increase SFEs.The double-packed superlattice intrinsic stacking fault energies are lower than superlattice extrinsic stacking fault energies when elements(except Co) occupy an Al-site.Furthermore,the SFEs show a symmetrical distribution with the location of the elements in the ternary model.A detailed electronic structure analysis of the Ru effects shows that SFEs correlated with not only the symmetry reduction of the charge accumulation but also the changes in structural energy.展开更多
Using high-throughput first-principles calculations, we systematically studied the synergistic effect of alloying two elements （AI and 28 kinds of 3d, 4d, and 5d transition metals） on the elastic constants and elast...Using high-throughput first-principles calculations, we systematically studied the synergistic effect of alloying two elements （AI and 28 kinds of 3d, 4d, and 5d transition metals） on the elastic constants and elastic moduli of γ-Ni. We used machine learning to theoretically predict the relationship between alloying concentration and mechanical properties, giving the binding energy between the two elements. We found that the ternary alloying elements strengthened the 7 phase in the order of Re 〉 Ir 〉 W 〉 Ru 〉 Cr 〉 Mo 〉 Pt 〉 Ta 〉 Co. There is a quadratic parabolic relationship between the number of d shell electrons in the alloying element and the bulk modulus, and the maximum bulk modulus appears when the d shell is half full. We found a linear relationship between bulk modulus and alloying concentration over a certain alloying range. Using linear regression, we found the linear fit concentration coefficient of 29 elements. Using machine learning to theoretically predict the bulk modulus and lattice constants of Ni32XY, we predicted values close to the calculated results, with a regression parameter of R2 = 0.99626. Compared with pure Ni, the alloyed Ni has higher bulk modulus B, G, E, Cll, and C44, but equal Cl2. The alloying strengthening in some of these systems is closely tied to the binding of elements, indicating that the binding energy of the alloy is a way to assess its elastic properties.展开更多
The thermodynamic stabilities, electronic structures, and mechanical properties of the Pd-based superalloys are studied by first principles calculations. In this work, we discuss the effect of Pd-based superalloys mad...The thermodynamic stabilities, electronic structures, and mechanical properties of the Pd-based superalloys are studied by first principles calculations. In this work, we discuss the effect of Pd-based superalloys made from Al, Si, Sc, Ti, V, Cr, Mn, Fe, Cu, Zn, Y, Zr, Nb, Mo, Tc, Hf, Ta, W, Re, Os, Ir and Pt, and we also calculate a face centered cubic （fcc） structure 222 superalloy including 31 Pd atoms and one alloying element TM （Pd31TM）. The mixing energies of these Pd-Based superalloys are negative, indicating that all Pd-based superalloys are thermodynamically stable. The Pd31Mn has the lowest mixing energy with a value of-0.97 eV/atom. The electronic structures of the Pd-based superalloys are also studied, the densities of states, elastic constants and moduli of the mechanical properties of the Pd-based superalloys are determined by the stress-strain method and Voigt-Reuss-Hill approximation. It is found that Pd31TM is mechanically stable, and Pd31Tc has the largest C11, with a value 279.7 GPa. The Pd31Cr has the highest bulk modulus with a value of 299.8 GPa. The Pd31Fe has the largest shear modulus and Youngs modulus with the values of 73.8 GPa and 195.2 GPa, respectively. By using the anisotropic index, the anisotropic mechanical properties of the Pd31TM are discussed, and three-dimensional （3D） surface contours and the planar projections on （001） and （110） planes are also investigated by the Young modulus.展开更多
NiCo-based superalloys exhibit higher strength and creep resistance over conventional superalloys.Compositional effects on elastic properties of the γ and γ' phases in newly-developed NiCo-based superalloys were...NiCo-based superalloys exhibit higher strength and creep resistance over conventional superalloys.Compositional effects on elastic properties of the γ and γ' phases in newly-developed NiCo-based superalloys were investigated by first-principles calculation combined with special quasi-random structures.The lattice constant,bulk modulus,and elastic constants vary linearly with the Co concentration in the NiCo solution.In the selected(Ni,Co)3(Al,W)and(Ni,Co)3(Al,Ti)model γ' phase,the lattice constant,and bulk modulus show a linear trend with alloying element concentrations.The addition of Co,Ti,and W can regulate lattice mismatch and increase the bulk modulus,simultaneously.W-addition shows excellent performance in strengthening the elastic properties in the γ' phase.Systems become unstable with higher W and Ni contents,e.g.,(Ni0.75Co0.25)3(Al0.25 W0.75),and become brittle with higher W and Co addition,e.g.,Co3(Al0.25 W0.75).Furthermore,Co,Ti,and W can increase the elastic constants on the whole,and such high elastic constants always correspond to a high elastic modulus.The anisotropy index always corresponds to the nature of Young's modulus in a specific direction.展开更多
Heavy elements(X=Ta/W/Re)play an important role in the performance of superalloys,which enhance the strength,anti-oxidation,creep resistance,and anti-corrosiveness of alloy materials in a high-temperature environment....Heavy elements(X=Ta/W/Re)play an important role in the performance of superalloys,which enhance the strength,anti-oxidation,creep resistance,and anti-corrosiveness of alloy materials in a high-temperature environment.In the present research,the heavy element doping effects in FCC-Ni(γ)and Ni_(3)Al(γ')systems are investigated in terms of their thermodynamic and mechanical properties,as well as electronic structures.The lattice constant,bulk modulus,elastic constant,and dopant formation energy in non-spin,spin polarized,and spin-orbit coupling(SOC)calculations are compared.The results show that the SOC effects are important in accurate electronic structure calculations for alloys with heavy elements.We find that including spin for bothγandγ'phases is necessary and sufficient for most cases,but the dopant formation energy is sensitive to different spin effects,for instance,in the absence of SOC,even spin-polarized calculations give 1%to 9%variance in the dopant formation energy in our model.Electronic structures calculations indicate that spin polarization causes a split in the metal d states,and SOC introduces a variance in the spin-up and spin-down states of the d states of heavy metals and reduces the magnetic moment of the system.展开更多
The strengthening effects of alloying elements Re,Ta,and W in the[110](001)dislocation core of theγ/γ'interface are studied by first-principles calculations.From the level of energy the substitution formation en...The strengthening effects of alloying elements Re,Ta,and W in the[110](001)dislocation core of theγ/γ'interface are studied by first-principles calculations.From the level of energy the substitution formation energies and the migration energies of alloying elements are computed and from the level of electron the differential charge density(DCD)and the partial density of states(PDOSs)are computed.Alloying elements above are found to tend to substitute for Al sitesγ'phase by analyzing the substitution formation energy.The calculation results for the migration energies of alloying elements indicate that the stability of the[110](001)dislocation core is enhanced by adding Ta,W,and Re and the strengthening effect of Re is the strongest.Our results agree with the relevant experiments.The electronic structure analysis indicates that the electronic interaction between Re-nearest neighbor(NN)Ni is the strongest.The reason why the doped atoms have different strengthening effects in the[110](001)dislocation core is explained at the level of electron.展开更多
基金This work was supported by Shenzhen-Hong Kong Science and Technology Innovation Cooperation Zone Shenzhen Park Project:HZQB-KCZYB-2020030the National Natural Science Foundation of China(No.91860131and No.52074157)+2 种基金Guangdong Provincial Department of Science and Technology,Key-Area Research and Development Program of Guangdong Province(No.2020B090923002)the National Key Research and Development Program of China(No.2017YFB0702901)the Shenzhen Science and Technology Innovation Commission(No.JCYJ20170817111811303,No.KQTD20170328154443162and No.ZDSYS201703031748354).
文摘The additive manufacturing(AM)of Ni-based superalloys has attracted extensive interest from both academia and industry due to its unique capabilities to fabricate complex and high-performance components for use in high-end industrial systems.However,the intense temperature gradient induced by the rapid heating and cooling processes of AM can generate high levels of residual stress and metastable chemical and structural states,inevitably leading to severe metallurgical defects in Ni-based superalloys.Cracks are the greatest threat to these materials’integrity as they can rapidly propagate and thereby cause sudden and non-predictable failure.Consequently,there is a need for a deeper understanding of residual stress and cracking mechanisms in additively manufactured Ni-based superalloys and ways to potentially prevent cracking,as this knowledge will enable the wider application of these unique materials.To this end,this paper comprehensively reviews the residual stress and the various mechanisms of crack formation in Ni-based superalloys during AM.In addition,several common methods for inhibiting crack formation are presented to assist the research community to develop methods for the fabrication of crack-free additively manufactured components.
基金Project supported by the State Key Development Program for Basic Research of China (Grant No 2006CB605102)
文摘A model system consisting of Ni[001]（100）/Ni3Al[001]（100） multi-layers are studied using the density functional theory in order to explore the elastic properties of single crystal Ni-based superalloys. Simulation results are consistent with the experimental observation that rafted Ni-base superalloys virtually possess a cubic symmetry. The convergence of the elastic properties with respect to the thickness of the multilayers are tested by a series of multilayers from 2γ′＋2γto 10γ′＋10γ atomic layers. The elastic properties are found to vary little with the increase of the multilayer＇s thickness. A Ni/Ni3Al multilayer with 10γ′＋10γ atomic layers （3.54 nm） can be used to simulate the mechanical properties of Ni-base model superalloys. Our calculated elastic constants, bulk modulus, orientation-dependent shear modulus and Young＇s modulus, as well as the Zener anisotropy factor are all compatible with the measured results of Ni-base model superalloys R1 and the advanced commercial superalloys TMS-26, CMSX-4 at a low temperature. The mechanical properties as a function of the γ′ phase volume fraction are calculated by varying the proportion of the γ and γ′ phase in the multilayers. Besides, the mechanical properties of two-phase Ni/Ni3Al multilayer can be well predicted by the Voigt-Reuss-Hill rule of mixtures.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.50974016 and 50071014)
文摘Powder metallurgy（PM） superalloys are an important class of high temperature structural materials, key to the rotating components of aero engines. In the purview of the present challenges associated with PM superalloys, two novel approaches namely, powder preparation and the innovative spray-forming technique（for making turbine disk） are proposed and studied.Subsequently, advanced technologies like electrode-induction-melting gas atomization（EIGA）, and spark-plasma discharge spheroidization（SPDS） are introduced, for ceramic-free superalloy powders. Presently, new processing routes are sought after for preparing finer and cleaner raw powders for disk superalloys. The progress of research in spray-formed PM superalloys is first summarized in detail. The spray-formed superalloy disks specifically exhibit excellent mechanical properties. This paper reviews the recent progress in innovative technologies for PM superalloys, with an emphasis on new ideas and approaches, central to the innovation driving techniques like powder processing and spray forming.
基金Project supported by National Basic Research Program of China(Grant No.2011CB606402)the National Natural Science Foundation of China(Grant No.51071091)
文摘Density functional theory calculations in conjunction with the climbing images nudged elastic band method are conducted to study the diffusion phenomena of the Ni-based single crystal superalloys.We focus our attention on the diffusion processes of the Ni and Al atoms in the γ and γ ’ phases along the direction perpendicular to the interface.The diffusion mechanisms and the expressions of the diffusion coefficients are presented.The vacancy formation energies,the migration energies,and the activation energies for the diffusing Ni and Al atoms are estimated,and these quantities display the expected and clear transition zones in the vicinity of the interface of about 3–7（002） layers.The local density-of-states profiles of atoms in each（002） layer in the γ and γ ’ phases and the partial density-of-states curves of Re and some of its nearest-neighbor atoms are also presented to explore the electronic effect of the diffusion behavior.
基金Project supported by the National Key R&D Program of China(Grant Nos.2017YFB0701501,2017YFB0701502,and 2017YFB0701503)
文摘Atomistic characterization of chemical element distribution is crucial to understanding the role of alloying elements for strengthening mechanism of superalloy. In the present work, the site preferences of two alloying elements X -Y in γ-Ni of Ni-based superalloy are systematically studied using first-principles calculations with and without spin-polarization. The doping elements X and Y are chosen from the 27 kinds of 3 d, 4 d, 5 d group transition metals（Sc, Ti, V, Cr, Mn, Fe, Co,Cu, Zn, Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Ag, Cd, Hf, Ta, W, Re, Os, Ir, Pt, Au） and Al. We find that the spin-polarized calculations for Re-Re, Re-Ru, Re-Cr, Ru-Cr show a strong chemical binding affinity between the solute elements and are more consistent with the experimental results. The binding energies of pairs between the 28 elements have an obvious periodicity and are closely related the electronic configuration of the elements. When the d-electrons of the element are close to the half full-shell state, two alloying elements possess attractive binding energies, reflecting the effect of the Hund＇s rule. The combinations of early transition metals（Sc, Ti, V, Y, Zr, Nb, Hf, Ta） have a repulsive interaction in γ-Ni. These results offer insights into the role of alloying elements for strengthening mechanism of superalloy.
文摘Super-clean and super-spherical FGH4095 superalloy powder is produced by the ceramic-free electrode inductionmelt inert gas atomization（EIGA） technique.A continuous and steady-state liquid metal flow is achieved at high-frequency（350 k Hz） alternating current and high electric power（100 k W）.The superalloy is immersed in a high-frequency induction coil,and the liquid metal falling into a supersonic nozzle is atomized by an Ar gas of high kinetic gas energy.Numerical calculations are performed to optimize the structure parameters for the nozzle tip.The undesired oxidation reaction of alloying elements starts at 1000℃ with the reaction originating from the active sites on the powder surfaces,leading to the formation of oxides,MexOy.The role of active sites and kinetic factors associated with the diffusion of oxygen present in the atomization gas streams are also examined.The observed results reveal that the oxidation process occurring at the surface of the produced powders gradually moves toward the core,and that there exists a clear interface between the product layer and the reactant.The present study lays a theoretical foundation for controlling the oxidation of nickel-based superalloy powders from the powder process step.
基金Project supported by the State Key Development Program for Basic Research of China （Grant No G2000067102） and the National Natural Science Foundation of China （Grant No 90101004）.
文摘The mosaic structure in a Ni-based single-crystal superalloy is simulated by molecular dynamics using a potential employed in a modified analytic embedded atom method. From the calculated results we find that a closed threedimensional misfit dislocation network, with index of （011）{100} and the side length of the mesh 89.6A, is formed around a cuboidal γ′ precipitate. Comparing the simulation results of the different mosaic models, we find that the side length of the mesh only depends on the lattice parameters of the γ and γ′ phases as well as the γ/γ′ interface direction, but is independent of the size and number of the cuboidal γ′ precipitate. The density of dislocations is inversely proportional to the size of the cuboidal γ′ precipitate, i.e. the amount of the dislocation is proportional to the total area of the γ/γ′ interface, which may be used to explain the relation between the amount of the fine γ′ particles and the creep rupture life of the superalloy. In addition, the closed three-dimensional networks assembled with the misfit dislocations can play a significant role in improving the mechanical properties of superalloys.
基金supported by the National Basic Research Program of China (Grant No.2011CB606402)the National Natural Science Foundation of China (Grant No.51071091)
文摘The effect of H impurity on the misfit dislocation in Ni-based single-crystal superalloy is investigated using the molecular dynamic simulation. It includes the site preferences of H impurity in single crystals Ni and Ni3Al, the interaction between H impurity and the misfit dislocation and the effect of H impurity on the moving misfit dislocation. The calculated energies and simulation results show that the misfit dislocation attracts H impurity which is located at the γ/γ′ interface and Ni3Al and H impurity on the glide plane can obstruct the glide of misfit dislocation, which is beneficial to improving the mechanical properties of Ni based superalloys.
基金supported by National Natural Science Foundation of China(No.60878023)the postgraduate research and innovation project in Jiangsu province of China(No.CX10B_116Z)
文摘Laser-induced breakdown spectroscopy （LIBS） was developed to detect aluminum in nickel-based superalloys （K417, GH4033, DZ125L, З ∏742y） using a non-intensified, non-gated, low-cost detection system. The precision of LIBS depends strongly on the experimental conditions. The calibration curves of Al（I）394.4 nm and Al（I）396.2 nm under the optimum experimental parameters are presented. Finally the limit of detection （LOD） for aluminum is calculated from the experimental data, which is in the range of 0.09% to 0.1% by weight.
基金Project supported by the National Basic Research Program of China(Grant No.2011CB606402)the National Natural Science Foundation of China(Grant No.51071091)
文摘An Ni-AI-Co system embedded-atom-method potential is constructed for the γ（Ni）/γ＇（Ni3A1） superalloy based on experiments and first-principles calculations. The stacking fault energies （SFEs） of the Ni（Co, A1） random solid solutions are calculated as a function of the concentrations of Co and A1. The calculated SFEs decrease with increasing concentrations of Co and A1, which is consistent with the experimental results. The embedding energy term in the present potential has an important influence on the SFEs of the random solid solutions. The cross-slip processes of a screw dislocation in homogenous Ni（Co） solid solutions are simulated using the present potential and the nudged elastic band method. The cross-slip activation energies increase with increasing Co concentration, which implies that the creep resistance of γ（Ni） may be improved by the addition of Co.
文摘The performances of ceramic inserts in cutting nickel-based alloy were investigated. A new cutting test-bed was devised and used to deburr. The burr height on the working surface with notch wear in deburring cutting was compared with that in normal cutting. The impact force, impact pressure, and impact frequency of the saw-tooth-shaped chip edge on rake face and cutting edge at different speeds were calculated, and the influence of chip edge on notch wear formation was analyzed. A new tool design for reducing notch wear was presented, which is flexible and can deburr effectively.
文摘The effect of electromagnetic stirring on the inner quality of K417 superalloy ingots is studied with EPMA and optical microscope.The results show that while an electromagnetic stirring with 50Hz frequency and 80A current is imposed,the equiax crystals of K417 superalloy ingots can be effectively refined and increased,and the central shrinkage porosity and the dendritic segregation of K417 superalloy ingots are greatly reduced,so the inner quality of K417 superalloy ingots is obviously improved.
基金Project supported by the National Key Research and Development Program of China(Grant No.2017YFB0701503)。
文摘The phase partition and site preference of Re atoms in a ternary Ni-Al-Re model alloy,including the electronic structure of different Re configurations,are investigated with first-principles calculations and atom probe tomography.The Re distribution of single,nearest neighbor(NN),next-nearest neighbor(NNN),and cluster configurations are respectively designed in the models withγandγphases.The results show that the Re atoms tend to enteringγphase and the Re atoms prefer to occupy the Al sites inγphase.The Re cluster with a combination of NN and NNN Re-Re pair configuration is not preferred than the isolated Re atom in the Ni-based superalloys,and the configuration with isolated Re atom is more preferred in the system.Especially,the electronic states are analyzed and the energetic parameters are calculated.The electronic structure analyses show there exists strong Ni-Re electronic interaction and it is mainly contributed by the d-d hybridization.The characteristic features of the electronic states of the Re doping effects are also given.It is also found that Re atoms prefer the Al sites inγside at the interface.The density of states at or near the Fermi level and the d-d hybridizations of NN Ni-Re are found to be important in the systems.
基金supported by the National Natural Science Foundation of China(Grant Nos.50974016 and 50071014)
文摘The deposited billet of a new type powder metallurgy （PM） superalloy FGH4095M for use in turbine disk manufac- turing has been fabricated using spray forming technology. The metallurgical quality of the deposited billet was analyzed in terms of density, texture, and grain size. Comparative research was done on the microstructure and mechanical properties between the flat disk preform prepared with hot isostatic pressing （HIP） and the same alloy forgings prepared with HIP followed by isothermal forging （IF）. The results show that the density of the spray-formed and nitrogen-atomized deposit billet is above 99% of the theoretical density, indicating a compact structure. The grains are uniform and fine. The billet has weak texture with a random distribution in the spray deposition direction and perpendicular to the direction of deposition. A part of atomizing nitrogen exists in the preform in the form of carbonitride. Nitrogen-induced microporosity causes the density reduction of the preform. Compared with the process of HIP＋IF, the superalloy FGH4095M after HIP has better mechanical properties at both room temperature and high temperature. The sizes of the 7~ phase are finer in microstructure of the preform after HIP in comparison with the forgings after HIP＋IE This work shows that SF＋HIP is a viable processing route for FGH4095M as a turbine-disk material.
基金Project supported by the National Key Research and Development Program of China(Grant No.2017YFB0701502).
文摘The doping effects on the stacking fault energies(SFEs),including the superlattice intrinsic stacking fault and superlattice extrinsic stacking fault,were studied by first principles calculation of the/phase in the Ni-based superalloys.The formation energy results show that the main alloying elements in Ni-based superalloys,such as Re,Cr,Mo,Ta,and W,prefer to occupy the Al-site in Ni3 AI,Co shows a weak tendency to occupy the Ni-site,and Ru shows a weak tendency to occupy the Al-site.The SFE results show that Co and Ru could decrease the SFEs when added to fault planes,while other main elements increase SFEs.The double-packed superlattice intrinsic stacking fault energies are lower than superlattice extrinsic stacking fault energies when elements(except Co) occupy an Al-site.Furthermore,the SFEs show a symmetrical distribution with the location of the elements in the ternary model.A detailed electronic structure analysis of the Ru effects shows that SFEs correlated with not only the symmetry reduction of the charge accumulation but also the changes in structural energy.
基金Project support by the National Key R&D Program of China(Grant Nos.2017YFB0701501,2017YFB0701502,and 2017YFB0701503)
文摘Using high-throughput first-principles calculations, we systematically studied the synergistic effect of alloying two elements （AI and 28 kinds of 3d, 4d, and 5d transition metals） on the elastic constants and elastic moduli of γ-Ni. We used machine learning to theoretically predict the relationship between alloying concentration and mechanical properties, giving the binding energy between the two elements. We found that the ternary alloying elements strengthened the 7 phase in the order of Re 〉 Ir 〉 W 〉 Ru 〉 Cr 〉 Mo 〉 Pt 〉 Ta 〉 Co. There is a quadratic parabolic relationship between the number of d shell electrons in the alloying element and the bulk modulus, and the maximum bulk modulus appears when the d shell is half full. We found a linear relationship between bulk modulus and alloying concentration over a certain alloying range. Using linear regression, we found the linear fit concentration coefficient of 29 elements. Using machine learning to theoretically predict the bulk modulus and lattice constants of Ni32XY, we predicted values close to the calculated results, with a regression parameter of R2 = 0.99626. Compared with pure Ni, the alloyed Ni has higher bulk modulus B, G, E, Cll, and C44, but equal Cl2. The alloying strengthening in some of these systems is closely tied to the binding of elements, indicating that the binding energy of the alloy is a way to assess its elastic properties.
基金Project supported by the Young-Talent Support Programs of Kunming University of Science and Technology,China(Grant No.11504146)the National Natural Science Foundation of China(Grant No.51762028)
文摘The thermodynamic stabilities, electronic structures, and mechanical properties of the Pd-based superalloys are studied by first principles calculations. In this work, we discuss the effect of Pd-based superalloys made from Al, Si, Sc, Ti, V, Cr, Mn, Fe, Cu, Zn, Y, Zr, Nb, Mo, Tc, Hf, Ta, W, Re, Os, Ir and Pt, and we also calculate a face centered cubic （fcc） structure 222 superalloy including 31 Pd atoms and one alloying element TM （Pd31TM）. The mixing energies of these Pd-Based superalloys are negative, indicating that all Pd-based superalloys are thermodynamically stable. The Pd31Mn has the lowest mixing energy with a value of-0.97 eV/atom. The electronic structures of the Pd-based superalloys are also studied, the densities of states, elastic constants and moduli of the mechanical properties of the Pd-based superalloys are determined by the stress-strain method and Voigt-Reuss-Hill approximation. It is found that Pd31TM is mechanically stable, and Pd31Tc has the largest C11, with a value 279.7 GPa. The Pd31Cr has the highest bulk modulus with a value of 299.8 GPa. The Pd31Fe has the largest shear modulus and Youngs modulus with the values of 73.8 GPa and 195.2 GPa, respectively. By using the anisotropic index, the anisotropic mechanical properties of the Pd31TM are discussed, and three-dimensional （3D） surface contours and the planar projections on （001） and （110） planes are also investigated by the Young modulus.
基金Project supported by the National Key Research and Development Program of China(Grant No.2017YFB0701502).
文摘NiCo-based superalloys exhibit higher strength and creep resistance over conventional superalloys.Compositional effects on elastic properties of the γ and γ' phases in newly-developed NiCo-based superalloys were investigated by first-principles calculation combined with special quasi-random structures.The lattice constant,bulk modulus,and elastic constants vary linearly with the Co concentration in the NiCo solution.In the selected(Ni,Co)3(Al,W)and(Ni,Co)3(Al,Ti)model γ' phase,the lattice constant,and bulk modulus show a linear trend with alloying element concentrations.The addition of Co,Ti,and W can regulate lattice mismatch and increase the bulk modulus,simultaneously.W-addition shows excellent performance in strengthening the elastic properties in the γ' phase.Systems become unstable with higher W and Ni contents,e.g.,(Ni0.75Co0.25)3(Al0.25 W0.75),and become brittle with higher W and Co addition,e.g.,Co3(Al0.25 W0.75).Furthermore,Co,Ti,and W can increase the elastic constants on the whole,and such high elastic constants always correspond to a high elastic modulus.The anisotropy index always corresponds to the nature of Young's modulus in a specific direction.
基金the National Key Research and Development Program of China(Grant Nos.2017YFB0701603 and 2017YFB0701502).
文摘Heavy elements(X=Ta/W/Re)play an important role in the performance of superalloys,which enhance the strength,anti-oxidation,creep resistance,and anti-corrosiveness of alloy materials in a high-temperature environment.In the present research,the heavy element doping effects in FCC-Ni(γ)and Ni_(3)Al(γ')systems are investigated in terms of their thermodynamic and mechanical properties,as well as electronic structures.The lattice constant,bulk modulus,elastic constant,and dopant formation energy in non-spin,spin polarized,and spin-orbit coupling(SOC)calculations are compared.The results show that the SOC effects are important in accurate electronic structure calculations for alloys with heavy elements.We find that including spin for bothγandγ'phases is necessary and sufficient for most cases,but the dopant formation energy is sensitive to different spin effects,for instance,in the absence of SOC,even spin-polarized calculations give 1%to 9%variance in the dopant formation energy in our model.Electronic structures calculations indicate that spin polarization causes a split in the metal d states,and SOC introduces a variance in the spin-up and spin-down states of the d states of heavy metals and reduces the magnetic moment of the system.
基金Project supported by the National Key Research and Development Program of China(Grant No.2017YFB0701503).
文摘The strengthening effects of alloying elements Re,Ta,and W in the[110](001)dislocation core of theγ/γ'interface are studied by first-principles calculations.From the level of energy the substitution formation energies and the migration energies of alloying elements are computed and from the level of electron the differential charge density(DCD)and the partial density of states(PDOSs)are computed.Alloying elements above are found to tend to substitute for Al sitesγ'phase by analyzing the substitution formation energy.The calculation results for the migration energies of alloying elements indicate that the stability of the[110](001)dislocation core is enhanced by adding Ta,W,and Re and the strengthening effect of Re is the strongest.Our results agree with the relevant experiments.The electronic structure analysis indicates that the electronic interaction between Re-nearest neighbor(NN)Ni is the strongest.The reason why the doped atoms have different strengthening effects in the[110](001)dislocation core is explained at the level of electron.
