The recrystallization kinetics and microstructural evolution of a Ni3Al-based single crystal superalloy were presented, especially the different recrystallization behaviors between the dendrite arm and the interdendri...The recrystallization kinetics and microstructural evolution of a Ni3Al-based single crystal superalloy were presented, especially the different recrystallization behaviors between the dendrite arm and the interdendritic region. The single crystal alloy was deformed by grit blasting. A succeeding annealing under inert atmosphere at 1280 ℃ for different time led to the formation of recrystallized grains close to the grit blasting surface. It was found that the recrystallization depth and velocity in the dendrite arm were respectively deeper and faster than those in the interdendritic region where the Y-NiMo phase existed. The recrystallization process in the interdendritic region was significantly inhibited by the Y-NiMo precipitates. However, the pinning effect gradually weakened with the annealing time due to the dissolution of the Y-NiMo phase, and the recrystallization depth in the dendrite arm was deeper than that in the interdendritic region.展开更多
An investigation of transient liquid phase (TLP) diffusion bonding of a Ni 3Al base directionally solidified superalloy, IC6 alloy, was presented. The interlayer alloy employed was Ni Mo Cr B powder alloy. The results...An investigation of transient liquid phase (TLP) diffusion bonding of a Ni 3Al base directionally solidified superalloy, IC6 alloy, was presented. The interlayer alloy employed was Ni Mo Cr B powder alloy. The results show that the microstructure of the TLP diffusion bonded joints is a combination of γ solid solution (or a γ+γ′ structure) and borides. With the bonding time increasing, the quantity of the borides both in bonding seam and adjacent zones is gradually reduced, and the joint stress rupture property is improved. The obtained stress rupture property of the TLP bonded joints is on a level with the transverse property of IC6 base materials. [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
The anomalous flow behavior of γ'-Ni_(3)Al phases at high temperature is closely related to the cross-slip of 1/2<110>{111}super-partial dislocations.Generalized stacking fault energy curves(i.e.,Γ-surface...The anomalous flow behavior of γ'-Ni_(3)Al phases at high temperature is closely related to the cross-slip of 1/2<110>{111}super-partial dislocations.Generalized stacking fault energy curves(i.e.,Γ-surfaces)along the lowest energy path can provide a great deal of information on the nucleation and movement of dislocations.With the first-principles calculation,the interplay between Re and W,Mo,Ta,Ti doped at preferential sites and their synergetic influence on Γ-surfaces and ideal shear strength(τ_(max))in γ'-Ni_(3)Al phases are investigated.Similar to single Re-addition,the Suzuki segregation of W at stacking faults is demonstrated to enable to impede the movement of 1/6<112>{111} Shockley partial dislocations and promote the cross-slip of 1/2<110>{111}super-partial dislocations.With the replacement of a part of Re by W,a decreased γ_(APB)^(111)/γ_(APB)^(001) indicates that the anomalous flow behavior of γ'phases at high temperature is not as excellent as the double Re-addition,but an increasedτmax means that the creep rupture strength of Ni-based single crystal superalloys can be benefited from this replacement to some extent,especially in the co-segregation of Re and W at Al−Al sites.As the interaction between X1_(Al) and X2_(Al) point defects is characterized by an correlation energy function ΔE^(X1_(Al)+X2_(Al))(d),it is found that both strong attraction and strong repulsion are unfavarable for the improvement of yield strengths of γ'phase.展开更多
High-temperature Ni-based alloys are widely used in the aerospace field due to their excellent properties,but the shortcomings of brittle fracture at the grain boundaries and poor plasticity at room temperature also l...High-temperature Ni-based alloys are widely used in the aerospace field due to their excellent properties,but the shortcomings of brittle fracture at the grain boundaries and poor plasticity at room temperature also limit their development to a certain extent.Researchers found that there areγ′precipitation phases similar to Ni_(3)Al in Pt-Al based alloys.In this paper,the CASTEP code of Materials Studio software package is used to simulate the thermal and mechanical properties ofγ′-Pt_(3)Al phase andγ′-Ni_(3)Al phase.By comparing the performance characteristics of the electronic structure,mechanical properties and point defect structure of the two,it is found that the stability,elastic deformation resistance and high temperature creep resistance of theγ′-Pt_(3)Al phase are better than those of theγ′-Ni_(3)Al phase.This will provide theoretical guidance for promoting the development of Pt-Al-based high-temperature materials.展开更多
The effects of annealing temperature and grit blasting pressure on the recrystallization behavior of a Ni3Al based single crystal superalloy were studied in this work. The results show that the precipitation of the Y-...The effects of annealing temperature and grit blasting pressure on the recrystallization behavior of a Ni3Al based single crystal superalloy were studied in this work. The results show that the precipitation of the Y-NiMo phase occurs at 900 and 1000 °C, which precedes recrystallization. The initial recrystallization temperature was between 1000 and 1100 °C. Cellular recrystallization was formed at 1100 and 1200 °C, which consisted of large columnar γ′ and fine γ + γ′. The dendrite arm closed to the interdendritic region may act as nucleation sites during initial recrystallization by a particle simulated nucleation mechanism at 1280 °C. The size of the grains first turned large and then became small upon the pressure while the recrystallization depth increased all the time.展开更多
The thermal fatigue behavior of Ni3Al based superalloy IC6E during the cycles between 900 ℃/1 000 ℃ and the room tempera- ture was investigated. The experimental results indicate that the primary and secondary therm...The thermal fatigue behavior of Ni3Al based superalloy IC6E during the cycles between 900 ℃/1 000 ℃ and the room tempera- ture was investigated. The experimental results indicate that the primary and secondary thermal fatigue cracks initiate inside or round the borides and then spread away along grain boundaries and/or in interdendritic areas. The fracture of borides and their separation from the matrix at interfaces are mainly responsible for the crack initiation and its spreading. At temperatures higher than 1 000 ℃, the grain boundary oxidation combined with cyclic stresses accelerates the crack growth.展开更多
Solidification sequence of a typical Ni 3Al base superalloy IC6 was studied by isothermal solidification method. The results show that the liquidus, solidus, melting point of the boride and secondary γ ′ precipitati...Solidification sequence of a typical Ni 3Al base superalloy IC6 was studied by isothermal solidification method. The results show that the liquidus, solidus, melting point of the boride and secondary γ ′ precipitation temperature of the IC6 alloy are notably higher than those of conventional nickel base superalloys because of its higher Mo content. There is no eutectic γ ′ precipitation during the solidification of the alloy, but a kind of Mo rich δ Ni 0.76 Mo 1.24 primary phase precipitates together with γ phase by eutectic reaction L ′→ δ + γ + L ″ in the temperature range of 1 573~1 553 K, this δ Ni 0.76 Mo 1.24 phase has a primitive orthorhombic structure with a=0.917 8 nm, b=0.914 2 nm and c=0.882 8 nm. Moreover, Al element of the alloy segregates in dendritic areas during isothermal solidification process, which causes secondary γ ′ phase precipitate in the order of precedence from dendrites to interdendrites.展开更多
The site occupancy behavior of ternary alloying elements inγ'-Ni3Al(a key strengthening phase of commercial Ni-based single-crystal superalloys)can change with temperature and alloy composition owing to the effec...The site occupancy behavior of ternary alloying elements inγ'-Ni3Al(a key strengthening phase of commercial Ni-based single-crystal superalloys)can change with temperature and alloy composition owing to the effect of entropy.Using a total-energy method based on density functional theory,the dependence of tensile and shear behaviors on the site preference of alloying elements inγ'-Ni3Al were investigated in detail.Our results demonstrate that Fe,Ru,and Ir can significantly improve the ideal tensile and shear strength of theγ'phase when occupying the Al site,with Ru resulting in the strongest enhancement.In contrast,elements with fully filled d orbitals(i.e.,Cu,Zn,Ag,and Cd)are expected to reduce the ideal tensile and shear strength.The calculated stress-strain relationships of Ni3Al alloys indicate that none of the alloying elements can simultaneously increase the ideal strength of theγ'phase for both Ni1-site and Ni2-site substitutions.In addition,the charge redistribution and the bond length of the alloying elements and host atoms during the tensile and shear processes are analyzed to unveil the underlying electronic mechanisms.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 calculation of electronic structure of γ'-Ni_3Al phase with or without Mg and W by the Recursion and LCAO methods clarified that Mg and W atoms lose their outer electrons par- tially after they entered γ'...The calculation of electronic structure of γ'-Ni_3Al phase with or without Mg and W by the Recursion and LCAO methods clarified that Mg and W atoms lose their outer electrons par- tially after they entered γ'-Ni_3Al.It causes the reduction of the radii of the atoms.So it is preferable for Mg atom to enter γ'-phase by the substitution.The interaction between Mg and γ'-phase matrix may be strengthened and a more stable structure of γ'-phase may be formed while Mg and W entered γ'-Ni_3Al simultaneously.展开更多
Using first-principles calculations in combination with Wagner–Schottky and kinetic Monte Carlo methods, the diffusion behaviors of solutes via various vacancy-mediated diffusion mechanisms in L12 γ-Ni3Al were inves...Using first-principles calculations in combination with Wagner–Schottky and kinetic Monte Carlo methods, the diffusion behaviors of solutes via various vacancy-mediated diffusion mechanisms in L12 γ-Ni3Al were investigated. The formation energies of the point defects and the migration energies for solutes were calculated. Adding alloying elements can decrease the defect-formation energies of NiAl, increase the defect-formation energies of AlNi, and have little effect on the formation energy of VNi. The migration energies of solutes are related with the site preference and the diffusion mechanism. The diffusion coefficients of Ni, Al, and solutes were calculated, and the concentration of antisite defects plays a crucial role in the elemental diffusion.展开更多
基金Project (50971005) supported by the National Natural Science Foundation of China
文摘The recrystallization kinetics and microstructural evolution of a Ni3Al-based single crystal superalloy were presented, especially the different recrystallization behaviors between the dendrite arm and the interdendritic region. The single crystal alloy was deformed by grit blasting. A succeeding annealing under inert atmosphere at 1280 ℃ for different time led to the formation of recrystallized grains close to the grit blasting surface. It was found that the recrystallization depth and velocity in the dendrite arm were respectively deeper and faster than those in the interdendritic region where the Y-NiMo phase existed. The recrystallization process in the interdendritic region was significantly inhibited by the Y-NiMo precipitates. However, the pinning effect gradually weakened with the annealing time due to the dissolution of the Y-NiMo phase, and the recrystallization depth in the dendrite arm was deeper than that in the interdendritic region.
文摘An investigation of transient liquid phase (TLP) diffusion bonding of a Ni 3Al base directionally solidified superalloy, IC6 alloy, was presented. The interlayer alloy employed was Ni Mo Cr B powder alloy. The results show that the microstructure of the TLP diffusion bonded joints is a combination of γ solid solution (or a γ+γ′ structure) and borides. With the bonding time increasing, the quantity of the borides both in bonding seam and adjacent zones is gradually reduced, and the joint stress rupture property is improved. The obtained stress rupture property of the TLP bonded joints is on a level with the transverse property of IC6 base materials. [
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the financial supports from the National Natural Science Foundation of China(Nos.51871096,52071136).
文摘The anomalous flow behavior of γ'-Ni_(3)Al phases at high temperature is closely related to the cross-slip of 1/2<110>{111}super-partial dislocations.Generalized stacking fault energy curves(i.e.,Γ-surfaces)along the lowest energy path can provide a great deal of information on the nucleation and movement of dislocations.With the first-principles calculation,the interplay between Re and W,Mo,Ta,Ti doped at preferential sites and their synergetic influence on Γ-surfaces and ideal shear strength(τ_(max))in γ'-Ni_(3)Al phases are investigated.Similar to single Re-addition,the Suzuki segregation of W at stacking faults is demonstrated to enable to impede the movement of 1/6<112>{111} Shockley partial dislocations and promote the cross-slip of 1/2<110>{111}super-partial dislocations.With the replacement of a part of Re by W,a decreased γ_(APB)^(111)/γ_(APB)^(001) indicates that the anomalous flow behavior of γ'phases at high temperature is not as excellent as the double Re-addition,but an increasedτmax means that the creep rupture strength of Ni-based single crystal superalloys can be benefited from this replacement to some extent,especially in the co-segregation of Re and W at Al−Al sites.As the interaction between X1_(Al) and X2_(Al) point defects is characterized by an correlation energy function ΔE^(X1_(Al)+X2_(Al))(d),it is found that both strong attraction and strong repulsion are unfavarable for the improvement of yield strengths of γ'phase.
文摘High-temperature Ni-based alloys are widely used in the aerospace field due to their excellent properties,but the shortcomings of brittle fracture at the grain boundaries and poor plasticity at room temperature also limit their development to a certain extent.Researchers found that there areγ′precipitation phases similar to Ni_(3)Al in Pt-Al based alloys.In this paper,the CASTEP code of Materials Studio software package is used to simulate the thermal and mechanical properties ofγ′-Pt_(3)Al phase andγ′-Ni_(3)Al phase.By comparing the performance characteristics of the electronic structure,mechanical properties and point defect structure of the two,it is found that the stability,elastic deformation resistance and high temperature creep resistance of theγ′-Pt_(3)Al phase are better than those of theγ′-Ni_(3)Al phase.This will provide theoretical guidance for promoting the development of Pt-Al-based high-temperature materials.
基金supported by National Natural Science Foundation of China (No. 50971005)
文摘The effects of annealing temperature and grit blasting pressure on the recrystallization behavior of a Ni3Al based single crystal superalloy were studied in this work. The results show that the precipitation of the Y-NiMo phase occurs at 900 and 1000 °C, which precedes recrystallization. The initial recrystallization temperature was between 1000 and 1100 °C. Cellular recrystallization was formed at 1100 and 1200 °C, which consisted of large columnar γ′ and fine γ + γ′. The dendrite arm closed to the interdendritic region may act as nucleation sites during initial recrystallization by a particle simulated nucleation mechanism at 1280 °C. The size of the grains first turned large and then became small upon the pressure while the recrystallization depth increased all the time.
基金National Natural Science Foundation of China (50371004)
文摘The thermal fatigue behavior of Ni3Al based superalloy IC6E during the cycles between 900 ℃/1 000 ℃ and the room tempera- ture was investigated. The experimental results indicate that the primary and secondary thermal fatigue cracks initiate inside or round the borides and then spread away along grain boundaries and/or in interdendritic areas. The fracture of borides and their separation from the matrix at interfaces are mainly responsible for the crack initiation and its spreading. At temperatures higher than 1 000 ℃, the grain boundary oxidation combined with cyclic stresses accelerates the crack growth.
文摘Solidification sequence of a typical Ni 3Al base superalloy IC6 was studied by isothermal solidification method. The results show that the liquidus, solidus, melting point of the boride and secondary γ ′ precipitation temperature of the IC6 alloy are notably higher than those of conventional nickel base superalloys because of its higher Mo content. There is no eutectic γ ′ precipitation during the solidification of the alloy, but a kind of Mo rich δ Ni 0.76 Mo 1.24 primary phase precipitates together with γ phase by eutectic reaction L ′→ δ + γ + L ″ in the temperature range of 1 573~1 553 K, this δ Ni 0.76 Mo 1.24 phase has a primitive orthorhombic structure with a=0.917 8 nm, b=0.914 2 nm and c=0.882 8 nm. Moreover, Al element of the alloy segregates in dendritic areas during isothermal solidification process, which causes secondary γ ′ phase precipitate in the order of precedence from dendrites to interdendrites.
基金Project supported by the National Natural Science Foundation of China(Grant No.11804057)the Natural Science Foundation of Guangdong Province,China(Grant No.2017B030306003)the National Key Research and Development Program of China(Grant No.2017YFB0701500).
文摘The site occupancy behavior of ternary alloying elements inγ'-Ni3Al(a key strengthening phase of commercial Ni-based single-crystal superalloys)can change with temperature and alloy composition owing to the effect of entropy.Using a total-energy method based on density functional theory,the dependence of tensile and shear behaviors on the site preference of alloying elements inγ'-Ni3Al were investigated in detail.Our results demonstrate that Fe,Ru,and Ir can significantly improve the ideal tensile and shear strength of theγ'phase when occupying the Al site,with Ru resulting in the strongest enhancement.In contrast,elements with fully filled d orbitals(i.e.,Cu,Zn,Ag,and Cd)are expected to reduce the ideal tensile and shear strength.The calculated stress-strain relationships of Ni3Al alloys indicate that none of the alloying elements can simultaneously increase the ideal strength of theγ'phase for both Ni1-site and Ni2-site substitutions.In addition,the charge redistribution and the bond length of the alloying elements and host atoms during the tensile and shear processes are analyzed to unveil the underlying electronic mechanisms.
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.
文摘The calculation of electronic structure of γ'-Ni_3Al phase with or without Mg and W by the Recursion and LCAO methods clarified that Mg and W atoms lose their outer electrons par- tially after they entered γ'-Ni_3Al.It causes the reduction of the radii of the atoms.So it is preferable for Mg atom to enter γ'-phase by the substitution.The interaction between Mg and γ'-phase matrix may be strengthened and a more stable structure of γ'-phase may be formed while Mg and W entered γ'-Ni_3Al simultaneously.
基金Project supported by Beijing Municipality Science and Technology Commission,China(Grant No.D161100002416001)the National Key R&D Program of China(Grant No.2017YFB0701502)
文摘Using first-principles calculations in combination with Wagner–Schottky and kinetic Monte Carlo methods, the diffusion behaviors of solutes via various vacancy-mediated diffusion mechanisms in L12 γ-Ni3Al were investigated. The formation energies of the point defects and the migration energies for solutes were calculated. Adding alloying elements can decrease the defect-formation energies of NiAl, increase the defect-formation energies of AlNi, and have little effect on the formation energy of VNi. The migration energies of solutes are related with the site preference and the diffusion mechanism. The diffusion coefficients of Ni, Al, and solutes were calculated, and the concentration of antisite defects plays a crucial role in the elemental diffusion.