The influence of temperature on the precipitation mechanism and sequence of L 12 and D022 phases during the early precipitation process of a Ni-15.Sat%Cr-14at%Al alloy was simulated based on the microscopic phase-fiel...The influence of temperature on the precipitation mechanism and sequence of L 12 and D022 phases during the early precipitation process of a Ni-15.Sat%Cr-14at%Al alloy was simulated based on the microscopic phase-field model. In the range from 873 to 1373 K, the precipitation mechanism transformed from spinodal decomposition to non-classic nucleation and growth; the incubation period prolonged gradually with increasing temperature. The volume fraction of L12 phases increased and that of D022 phases decreased. D022 phases disappeared at 1373 K, and finally single-phase L12 phases were formed.展开更多
Simulations are performed on temporal evolution of atom morphology and ordering parameters of Ni-14.5 Cr-16.5 Al alloy during early precipitation process at different temperatures based on microscopic phase-field theo...Simulations are performed on temporal evolution of atom morphology and ordering parameters of Ni-14.5 Cr-16.5 Al alloy during early precipitation process at different temperatures based on microscopic phase-field theory; the relationship between precipitation sequence and mechanism of L12 and D022 structure and precipitation temperature are illuminated. The nonstoichiometric ordered L12 phases appear first with congruent ordering＋spinodal decomposition mechanism which is then followed by precipitation of D022 phases at ordering domain boundaries of L12 phases by spinodal decomposition mechanism at 1073 K and 1223 K. The nonstoichiometric L12 phases transform to stoichiometric ordering phases gradually. The incubation period of L12 and D022 phases is shorter at 1073 K than that 1223 K, and growth speed is higher at 1073 K. At 1373 K, L12 and D022 phases appear simultaneously by non-classical nucleation and growth mechanism. After that the particles of D022 phases diminish and disappear gradually; L12 phases grow and single L12 phases are remained at last.展开更多
The temporal evolution feature of a microscopic phase field model is utilized to study the antisite defects of L1 2-Ni 3 Al;this is quite different from other physicist’ interests.There are mainly two points in brief...The temporal evolution feature of a microscopic phase field model is utilized to study the antisite defects of L1 2-Ni 3 Al;this is quite different from other physicist’ interests.There are mainly two points in brief.Firstly,antisite defects Ni Al and Al Ni ,which are caused by the deviation from the stoichiometric Ni 3 Al,coexist in the Ni 3 Al phase.The surplus Ni atom in the Ni-rich side is prone to substitute Al thus producing the antisite defect Ni Al that maintains the stability of the L1 2 structure.In other case,the surplus Al atom in the Al-rich side is accommodated by a Ni sublattice consequently giving rise to antisite defect Al Ni .The calculated equilibrium occupancy probability of Ni Al is much higher than that of Al Ni .This point is generally in line with other theoretical and experimental works.Additionally,both Ni Al and Al Ni have a strong negative correlation to time step during the disorder-order transformation.Since the initial value of Ni Al and Al Ni on each site of the matrix is right at the concentration that we set,we can observe the decrease process of Ni Al and Al Ni from the initial disordered high anti-structure state to their respective equilibrium state,i.e.to the result of the ordering process further coarsening.展开更多
The influence of the elastic energy on L10→L12 transient ordering transformation was investigated by microscopic phase field method. It is found that there are three stages experienced in atomic ordering: solute clus...The influence of the elastic energy on L10→L12 transient ordering transformation was investigated by microscopic phase field method. It is found that there are three stages experienced in atomic ordering: solute clustering+L10 short range ordering → L10 long range ordering → L12 long range ordering. Before the formation of the high ordered L12 phase, it has firstly taken place the transformation from matrix to L10 phase, and then held the L10→L12 secondary transformation. Elastic energy is proved to take little effect on the stage of short range ordering, but as the elastic energy is multiplied, it obviously shortened the course of the solute clustering, and speeded up the proceeding of the L10 long range ordering transition. Accordingly, the increased elastic energy also strengthens the single crystalline directionality of L10 phase projecting on 2D plane and makes the ordered degree of Al and Zn atoms enhanced. With the temperature elevation, Al's and Zn's ordered degree decreased in L10 phase.展开更多
基金This work was financially supported by the National Natural Science Foundation of China (No.50071046) and the National High-Tech Research and Development Program of China (No.2002AA331051).
文摘The influence of temperature on the precipitation mechanism and sequence of L 12 and D022 phases during the early precipitation process of a Ni-15.Sat%Cr-14at%Al alloy was simulated based on the microscopic phase-field model. In the range from 873 to 1373 K, the precipitation mechanism transformed from spinodal decomposition to non-classic nucleation and growth; the incubation period prolonged gradually with increasing temperature. The volume fraction of L12 phases increased and that of D022 phases decreased. D022 phases disappeared at 1373 K, and finally single-phase L12 phases were formed.
基金This work was supported by the National Natural Science Foundation of China （Grant No. 50071046） the National High-Tech Research and Development Program of China （863 Program, No. 2002AA331051）.
文摘Simulations are performed on temporal evolution of atom morphology and ordering parameters of Ni-14.5 Cr-16.5 Al alloy during early precipitation process at different temperatures based on microscopic phase-field theory; the relationship between precipitation sequence and mechanism of L12 and D022 structure and precipitation temperature are illuminated. The nonstoichiometric ordered L12 phases appear first with congruent ordering＋spinodal decomposition mechanism which is then followed by precipitation of D022 phases at ordering domain boundaries of L12 phases by spinodal decomposition mechanism at 1073 K and 1223 K. The nonstoichiometric L12 phases transform to stoichiometric ordering phases gradually. The incubation period of L12 and D022 phases is shorter at 1073 K than that 1223 K, and growth speed is higher at 1073 K. At 1373 K, L12 and D022 phases appear simultaneously by non-classical nucleation and growth mechanism. After that the particles of D022 phases diminish and disappear gradually; L12 phases grow and single L12 phases are remained at last.
基金financially supported by the National Natural Science Foundation of China (Grant Nos.50875217,10902086,and 50941020)the Doctorate Foundation of Northwestern Polytechnical University of China (Grant No.CX200806)the Natural Science Foundation of Shaanxi Province (Grant Nos.SJ08-ZT05 and SJ08-B14)
文摘The temporal evolution feature of a microscopic phase field model is utilized to study the antisite defects of L1 2-Ni 3 Al;this is quite different from other physicist’ interests.There are mainly two points in brief.Firstly,antisite defects Ni Al and Al Ni ,which are caused by the deviation from the stoichiometric Ni 3 Al,coexist in the Ni 3 Al phase.The surplus Ni atom in the Ni-rich side is prone to substitute Al thus producing the antisite defect Ni Al that maintains the stability of the L1 2 structure.In other case,the surplus Al atom in the Al-rich side is accommodated by a Ni sublattice consequently giving rise to antisite defect Al Ni .The calculated equilibrium occupancy probability of Ni Al is much higher than that of Al Ni .This point is generally in line with other theoretical and experimental works.Additionally,both Ni Al and Al Ni have a strong negative correlation to time step during the disorder-order transformation.Since the initial value of Ni Al and Al Ni on each site of the matrix is right at the concentration that we set,we can observe the decrease process of Ni Al and Al Ni from the initial disordered high anti-structure state to their respective equilibrium state,i.e.to the result of the ordering process further coarsening.
基金supported by the National Natural Science Foundation of China (50671084 and 50875217)
文摘The influence of the elastic energy on L10→L12 transient ordering transformation was investigated by microscopic phase field method. It is found that there are three stages experienced in atomic ordering: solute clustering+L10 short range ordering → L10 long range ordering → L12 long range ordering. Before the formation of the high ordered L12 phase, it has firstly taken place the transformation from matrix to L10 phase, and then held the L10→L12 secondary transformation. Elastic energy is proved to take little effect on the stage of short range ordering, but as the elastic energy is multiplied, it obviously shortened the course of the solute clustering, and speeded up the proceeding of the L10 long range ordering transition. Accordingly, the increased elastic energy also strengthens the single crystalline directionality of L10 phase projecting on 2D plane and makes the ordered degree of Al and Zn atoms enhanced. With the temperature elevation, Al's and Zn's ordered degree decreased in L10 phase.
