The coarsening behavior of L12 and D022 in Ni75AlxV25-x （x,at.%） alloys including coherent strain was investigated using the microscopic phase-field model. The simulation results indicate that the shape transition a...The coarsening behavior of L12 and D022 in Ni75AlxV25-x （x,at.%） alloys including coherent strain was investigated using the microscopic phase-field model. The simulation results indicate that the shape transition and spatial correlation of L12 and D022 are caused by the morphological-dependent anisotropic elastic interactions in the system. The coarsening process of the particles is by means of neighbor particles impingement and aggregation into larger ones. For the strain-induced interactions between the precipitates,the LSW theory is altered for the coarsening behavior of L12 and D022. In addition,the simulation reveals that the growth and coarsening of D022 present two obvious stages at lower Al concentration regions and proceed simultaneously at high Al concentration regions. The growth and coarsening processes of L12 at the same regions is reverse to those of D022.展开更多
The interphase boundary evolution of ordered phase in Ni75AlxV25-x alloy during precipitation was simulated on atomic-scale based on the microscopic phase-field dynamic model. The results show that the second phase pr...The interphase boundary evolution of ordered phase in Ni75AlxV25-x alloy during precipitation was simulated on atomic-scale based on the microscopic phase-field dynamic model. The results show that the second phase precipitated from the interphase boundary formed by the first phase and the disordered matrix at high temperature, and from the interphase boundaries of the first phase at low temperature. L12 phase had obvious selective orientation when precipitated from the interphase boundaries of D022- L12 phase nucleated easily at the interphase boundaries formed by [10] and [01] directions of D022 projection along [001] direction, and grew easily at [10] direction. There was no the selective orientation when L12 phase precipitated from the interphase boundary formed by D022 and the disordered matrix. D022 phase had the selective orientation when precipitated from the interphase boundaries of L12, and grew along the [10] direction.展开更多
With the microscopic phase-field dynamic model, the effects of temperature and concentration on the nucleation incubation time of Ni75AlxV25-x alloy were studied and the relation between the incubation time and precip...With the microscopic phase-field dynamic model, the effects of temperature and concentration on the nucleation incubation time of Ni75AlxV25-x alloy were studied and the relation between the incubation time and precipitation mechanism was investigated by using the atomic occupation probability picture and average order parameter curve. The simulation results demonstrate that there exists the incubation time for different precipitation mechanisms~ such as non-classical nucleation, the mixed style of non-classical nucleation and spinodal decomposition, and spinodal ordering; and the incubation time shortens in turn for the three kinds of mechanisms. With the increase of Al content of Ni75AlxV25-x alloy, the incubation time of Llz phases shortens continuously and that of DOzz phases is prolonged. The effects of temperature on the incubation time of Llz and DOzz phases are accordant, i.e. the incuba- tion time is greatly prolonged with the temperature rising.展开更多
The phase separation in Ni75AlxV25-x alloys incorporated with the elastic stress was investigated using the microscopic phase-field model. The final morphology ofγ' andθis similar in spatial alignment, but the v...The phase separation in Ni75AlxV25-x alloys incorporated with the elastic stress was investigated using the microscopic phase-field model. The final morphology ofγ' andθis similar in spatial alignment, but the volume fraction ofγ' phase increases and that ofθdecreases as the Al concentration increases. For the small elastic interactions of early-stage phase separation, the coarsening ofγ' andθcan be approximated by a linear growth law as predicated by Lifshitz and Slyozov and Wangner (LSW) theory. As the elastic interactions increase at late-stage coarsening, the growth rate decreases, and the growth presents quick increase at early-stage and slows down at late-stage.展开更多
The evolution of ordered interphase boundary (IPB) of Ni75AlxV25-x alloys was simulated using the microscopic phase-field method. Based on the atomic occupation probability figure on 2D and order parameters, it was fo...The evolution of ordered interphase boundary (IPB) of Ni75AlxV25-x alloys was simulated using the microscopic phase-field method. Based on the atomic occupation probability figure on 2D and order parameters, it was found that the IPB formed by different directions ofθ phase has great effect on the precipitation of γ ′ phase. The γ ′ phase precipitated at the IPB that is formed by [1 00]θ direction where the ( 001)θ plane is opposite, and then grows up and the shape is strap at final. The IPB structure between γ ′phase andθ phase is the same. There is no γ ′ phase precipitate at the IPB where the ( 002)θ and ( 001)θ planes are opposite, the ordered IPB is dissolved into disordered area. There is γ ′ phase precipitation at the IPB formed by the [ 001]θ and [1 00]θ directions, and the IPB structure is different between γ ′ phase and the different directions ofθ phase. The IPB where ( 001)γ′ and (1 00)θ plane opposite does not migrate during the γ ′ phase growth, and γ ′ phase grows along [1 00]θdirection.展开更多
Based on the microscopic phase-field model, the structure and migration characteristic of ordered domain interfaces formed between DO22 and L12 phase are investigated, and the atomistic mechanism of phase transformati...Based on the microscopic phase-field model, the structure and migration characteristic of ordered domain interfaces formed between DO22 and L12 phase are investigated, and the atomistic mechanism of phase transformation from L12 （Ni3Al） to DO22 （Ni3V） in Ni75AlxV25-x alloys are explored, using the simulated microstructure evolution pictures and the occupation probability evolution of alloy elements at the interface. The results show that five kinds of heterointerfaces are formed between DO22 and L12 phase and four of them can migrate during the phase transformation from L12 to DO22 except the interface （002）D//（001）L. The structure of interface （100）D//（200）L and interface （100）D//（200）L·^1/2[001] remain the same before and after migration, while the interface （002）D//（002）L is formed after the migration of interface （002）D//（002）L·^1/2[100] and vice versa. These two kinds of interface appear alternatively. The jump and substitute of atoms selects the optimization way to induce the migration of interface during the phase transformation, and the number of atoms needing to jump during the migration is the least among all of the possible atom jump modes.展开更多
The interrupted aging mechanisms were applied to Ni75Al2.9V22.1 alloy by using the microscopic phase-field simulation method. For the single phase region existing at high temperature, the low content alloy was used as...The interrupted aging mechanisms were applied to Ni75Al2.9V22.1 alloy by using the microscopic phase-field simulation method. For the single phase region existing at high temperature, the low content alloy was used as the study object. With the progressive aging mechanisms, the metastable phase γ′ of high temperature can be obtained from the low temperature two phase regions, and the quantity of γ′ phase reduces with increasing temperature. The θ single phase morphology at high temperature regions will turn to be the γ′＋θ two phase morphology at low temperature with the interrupted aging method. Despite of the different precipitation paths of γ′ phase, the precipitation mechanisms are the same for the low temperature aging and high temperature interrupted aging.展开更多
基金the National Natural Science Foundation of China (No. 50071046)the Hi-tech Research and Development Program of China (No. 2002AA331050)the Doctorate Foundation of Northwestern Poly-technical University (No. CX200507).
文摘The coarsening behavior of L12 and D022 in Ni75AlxV25-x （x,at.%） alloys including coherent strain was investigated using the microscopic phase-field model. The simulation results indicate that the shape transition and spatial correlation of L12 and D022 are caused by the morphological-dependent anisotropic elastic interactions in the system. The coarsening process of the particles is by means of neighbor particles impingement and aggregation into larger ones. For the strain-induced interactions between the precipitates,the LSW theory is altered for the coarsening behavior of L12 and D022. In addition,the simulation reveals that the growth and coarsening of D022 present two obvious stages at lower Al concentration regions and proceed simultaneously at high Al concentration regions. The growth and coarsening processes of L12 at the same regions is reverse to those of D022.
基金This work was financially supported by the National Nat-ural Science Foundation of China(Grant No.50071046)the Hi-tech Research and Development Program of China(Grant No.2002AA331051).
文摘The interphase boundary evolution of ordered phase in Ni75AlxV25-x alloy during precipitation was simulated on atomic-scale based on the microscopic phase-field dynamic model. The results show that the second phase precipitated from the interphase boundary formed by the first phase and the disordered matrix at high temperature, and from the interphase boundaries of the first phase at low temperature. L12 phase had obvious selective orientation when precipitated from the interphase boundaries of D022- L12 phase nucleated easily at the interphase boundaries formed by [10] and [01] directions of D022 projection along [001] direction, and grew easily at [10] direction. There was no the selective orientation when L12 phase precipitated from the interphase boundary formed by D022 and the disordered matrix. D022 phase had the selective orientation when precipitated from the interphase boundaries of L12, and grew along the [10] direction.
文摘With the microscopic phase-field dynamic model, the effects of temperature and concentration on the nucleation incubation time of Ni75AlxV25-x alloy were studied and the relation between the incubation time and precipitation mechanism was investigated by using the atomic occupation probability picture and average order parameter curve. The simulation results demonstrate that there exists the incubation time for different precipitation mechanisms~ such as non-classical nucleation, the mixed style of non-classical nucleation and spinodal decomposition, and spinodal ordering; and the incubation time shortens in turn for the three kinds of mechanisms. With the increase of Al content of Ni75AlxV25-x alloy, the incubation time of Llz phases shortens continuously and that of DOzz phases is prolonged. The effects of temperature on the incubation time of Llz and DOzz phases are accordant, i.e. the incuba- tion time is greatly prolonged with the temperature rising.
基金Project (50071046) supported by the National Natural Science Foundation of ChinaProject (2002AA331051)supported by the National Hi-Tech Research and Development Program of ChinaProject(CX200507) supported by the the Doctorate Foundation of Northwestern Polytechnical University
文摘The phase separation in Ni75AlxV25-x alloys incorporated with the elastic stress was investigated using the microscopic phase-field model. The final morphology ofγ' andθis similar in spatial alignment, but the volume fraction ofγ' phase increases and that ofθdecreases as the Al concentration increases. For the small elastic interactions of early-stage phase separation, the coarsening ofγ' andθcan be approximated by a linear growth law as predicated by Lifshitz and Slyozov and Wangner (LSW) theory. As the elastic interactions increase at late-stage coarsening, the growth rate decreases, and the growth presents quick increase at early-stage and slows down at late-stage.
基金Project (50071046) supported by the National Natural Science Foundation of China Project (2002AA331051)supported by the National Hi-Tech Research and Development Program of China
文摘The evolution of ordered interphase boundary (IPB) of Ni75AlxV25-x alloys was simulated using the microscopic phase-field method. Based on the atomic occupation probability figure on 2D and order parameters, it was found that the IPB formed by different directions ofθ phase has great effect on the precipitation of γ ′ phase. The γ ′ phase precipitated at the IPB that is formed by [1 00]θ direction where the ( 001)θ plane is opposite, and then grows up and the shape is strap at final. The IPB structure between γ ′phase andθ phase is the same. There is no γ ′ phase precipitate at the IPB where the ( 002)θ and ( 001)θ planes are opposite, the ordered IPB is dissolved into disordered area. There is γ ′ phase precipitation at the IPB formed by the [ 001]θ and [1 00]θ directions, and the IPB structure is different between γ ′ phase and the different directions ofθ phase. The IPB where ( 001)γ′ and (1 00)θ plane opposite does not migrate during the γ ′ phase growth, and γ ′ phase grows along [1 00]θdirection.
基金Funded by the National Natural Science Foundation of China (Nos.50941020, 10902086, 50875217, and 20903075)Natural Science Foundation of Shaanxi Province (Nos. SJ08-ZT05 and SJ08-B14)Doctorate Foundation of Northwest Polytechnical University (No. CX200905)
文摘Based on the microscopic phase-field model, the structure and migration characteristic of ordered domain interfaces formed between DO22 and L12 phase are investigated, and the atomistic mechanism of phase transformation from L12 （Ni3Al） to DO22 （Ni3V） in Ni75AlxV25-x alloys are explored, using the simulated microstructure evolution pictures and the occupation probability evolution of alloy elements at the interface. The results show that five kinds of heterointerfaces are formed between DO22 and L12 phase and four of them can migrate during the phase transformation from L12 to DO22 except the interface （002）D//（001）L. The structure of interface （100）D//（200）L and interface （100）D//（200）L·^1/2[001] remain the same before and after migration, while the interface （002）D//（002）L is formed after the migration of interface （002）D//（002）L·^1/2[100] and vice versa. These two kinds of interface appear alternatively. The jump and substitute of atoms selects the optimization way to induce the migration of interface during the phase transformation, and the number of atoms needing to jump during the migration is the least among all of the possible atom jump modes.
基金supported by the National Natural Science Foundation of China(No.50671084)the Doctoral Foundation of Northwestern Polytechnical University(No.CX200507).
文摘The interrupted aging mechanisms were applied to Ni75Al2.9V22.1 alloy by using the microscopic phase-field simulation method. For the single phase region existing at high temperature, the low content alloy was used as the study object. With the progressive aging mechanisms, the metastable phase γ′ of high temperature can be obtained from the low temperature two phase regions, and the quantity of γ′ phase reduces with increasing temperature. The θ single phase morphology at high temperature regions will turn to be the γ′＋θ two phase morphology at low temperature with the interrupted aging method. Despite of the different precipitation paths of γ′ phase, the precipitation mechanisms are the same for the low temperature aging and high temperature interrupted aging.
