Previous studies ofδhydride in zirconium alloys have mainly assumed an isotropic interface.In practice,the difference in crystal structure at the interface between the matrix phase and the precipitate phase results i...Previous studies ofδhydride in zirconium alloys have mainly assumed an isotropic interface.In practice,the difference in crystal structure at the interface between the matrix phase and the precipitate phase results in an anisotropic interface.With the purpose of probing the real evolution ofδhydrides,this paper couples an anisotropy function in the interfacial energy and interfacial mobility.The influence of anisotropic interfacial energy and interfacial mobility on the morphology ofδhydride precipitation was investigated using the phase-field method.The results show that the isotropy hydride precipitates a slate-like morphology,and the anisotropicδhydride precipitates at the semi-coherent and non-coherent interfaces exhibited parallelogram-like and needle-like,which is consistent with the actual experimental morphology.Compared with the coherent interface,the semi-coherent or non-coherent interface adjusts the lattice mismatch,resulting in lower gradient energy that is more consistent with the true interfacial state.Simultaneously,an important chain of relationships is proposed,in the range of I_(x)<I_(y)<1.5I_(x)(I_(y)<I_(x) or I_(y)>1.5I_(x)),with the increase of the anisotropic mobility I_(y) in the y-axis,the gradient energy increases(decreases),the tendency of the non-coherent(semi-coherent)relationship at the interface,and the precipitation rate of hydride decreases(increases).Furthermore,the inhomogeneous stress distribution around the hydride leads to a localized enrichment of the hydrogen concentration,producing a hydride tip.The study of interfacial anisotropy is informative for future studies ofδhydride precipitation orientation and properties.展开更多
Numerical simulations based on a new regularized phase-field model were presented, to simulate the solidification of hexagonal close-packed materials with strong interfacial energy anisotropies. Results show that the ...Numerical simulations based on a new regularized phase-field model were presented, to simulate the solidification of hexagonal close-packed materials with strong interfacial energy anisotropies. Results show that the crystal grows into facet dendrites,displaying six-fold symmetry. The size of initial crystals has an effect on the branching-off of the principal branch tip along the<100> direction, which is eliminated by setting the b/a(a and b are the semi-major and semi-minor sizes in the initial elliptical crystals, respectively) value to be less than or equal to 1. With an increase in the undercooling value, the equilibrium morphology of the crystal changes from a star-like shape to facet dendrites without side branches. The steady-state tip velocity increases exponentially when the dimensionless undercooling is below the critical value. With a further increase in the undercooling value, the equilibrium morphology of the crystal grows into a developed side-branch structure, and the steady-state tip velocity of the facet dendrites increases linearly. The facet dendrite growth has controlled diffusion and kinetics.展开更多
Interfacial energy anisotropy plays an important role in tilted growth of eutectics. However, previous studies mainly focused on the solid-solid interface energy anisotropy, and whether the solid-liquid interface ener...Interfacial energy anisotropy plays an important role in tilted growth of eutectics. However, previous studies mainly focused on the solid-solid interface energy anisotropy, and whether the solid-liquid interface energy anisotropy can significantly affect the tilted growth of eutectics still remains unclear. In this study, a multi-phase field model is employed to investigate both the effect of solid-liquid interfacial energy anisotropy and the effect of solid-solid interfacial energy anisotropy on tilted growth of eutectics. The findings reveal that both the solid-liquid interfacial energy anisotropy and the solid-solid interfacial energy anisotropy can induce the tilted growth of eutectics. The results also demonstrate that when the rotation angle is within a range of 30°-60°, the growth of tilted eutectics is governed jointly by the solid-solid interfacial energy anisotropy and the solid-liquid interfacial energy anisotropy;otherwise, it is mainly controlled by the solid-solid interfacial energy anisotropy. Further analysis shows that the unequal pinning angle at triple point caused by the adjustment of the force balance results in different solute-diffusion rates on both sides of triple point. This will further induce an asymmetrical concentration distribution along the pulling direction near the solid-liquid interface and the tilted growth of eutectics. Our findings not only shed light on the formation mechanism of tilted eutectics but also provide theoretical guidance for controlling the microstructure evolution during eutectic solidification.展开更多
Interfacial magnetic anisotropy in a Pt/CO1-xFex/Pt multilayer is tuned by doping iron atoms into the cobalt layer. The perpendicular magnetic anisotropy and out-of-plane coercivity are found to decrease with increasi...Interfacial magnetic anisotropy in a Pt/CO1-xFex/Pt multilayer is tuned by doping iron atoms into the cobalt layer. The perpendicular magnetic anisotropy and out-of-plane coercivity are found to decrease with increasing x. For a specific x, the out-of-plane coercivity acquires a maximal value as a function of the thickness of the CoFe layer. At low temperature, the coercivity is enhanced. Small coercivity but reasonably large perpendicular magnetic anisotropy can be obtained by controlling the x and CoFe layer thickness.展开更多
In this study,insights into the effect of interfacial anisotropy on a complex hexagonal close-packed(hcp) dendritic growth during alloy solidification were gained by graphics processing unit(GPU)-accelerated three-dim...In this study,insights into the effect of interfacial anisotropy on a complex hexagonal close-packed(hcp) dendritic growth during alloy solidification were gained by graphics processing unit(GPU)-accelerated three-dimensional(3D) phase-field simulations,as demonstrated for a Mg-Gd alloy.An anisotropic phasefield model with finite interface dissipation was developed by incorporating the contribution of the anisotropy of interfacial energy into the total free energy functional.The modified spherical harmonic anisotropy function was then chosen for the hcp crystal.The GPU parallel computing algorithm was implemented in the present phase-field model,and a corresponding code was developed in the compute unified device architecture parallel computing platform.Benchmark tests indicated that the calculation efficiency of a single TESLA V100 GPU could be~80times that of open multi-processing(OpenMP) with eight central processing unit cores.By coupling the phase-field model with reliable thermodynamic and interfacial energy descriptions,the 3D phase-field simulation of α-Mg dendritic growth in the Mg-6Gd(in wt%) alloy during solidification was performed.Various two-dimensional dendrite morphologies were revealed by cutting the simulated 3D dendrite along different crystallographic planes.Typical sixfold equiaxed and butterflied microstructures observed in experiments were well reproduced.展开更多
Phase field simulations incorporating contributions from chemical free energy and anisotropic interfacial energy are presented for theβ→αtransformation in Ti-6 Al-4 V alloy to investigate the growth mechanism ofαl...Phase field simulations incorporating contributions from chemical free energy and anisotropic interfacial energy are presented for theβ→αtransformation in Ti-6 Al-4 V alloy to investigate the growth mechanism ofαlamellae of various morphologies from undercooledβmatrix.Theαcolony close to realistic microstructure was generated by coupling the Thermo-Calc thermodynamic parameters ofαandβphases with the phase field governing equations.The simulations show thatαlamellar side branches with feathery morphology can form under a certain combination of interfacial energy anisotropy and temperature.αlamellae tend to grow slowly at high heat treatment temperature and become wider and thicker as temperature increase from 800 to 900℃provided that the interfacial energy anisotropy ratio k_(x):k_(y) was set as 0.1:0.6.Besides,higher interfacial energy anisotropy can accelerate the formation ofαlamellae,and the equilibrium shape ofαlamellae changes from rod to plate as the interface energy anisotropy ratio k_(x):k_(y) vary from 0.1:0.4 to 0.1:0.8 under 820℃.Experiments were conducted to study theαlamellar side branches in Ti-6 Al-4 V(Ti-6.01 Al-3.98 V,wt.%)and Ti-4211(Ti-4.02 A1-2.52 V-1.54 Mo-1.03 Fe,wt.%)alloys with lamellar micro structure.Electron backscatter diffraction(EBSD)re sults show thatαlamellar side branches and their related lamellae share the same orientation.The predicted temperature range forαlamellar side branches fo rmation under various interfacial energy anisotropy is consistent with experimental results.展开更多
基金support from the National Natural Science Foundation of China(Nos.52375394,52074246,52275390,52205429,52201146)National Defense Basic Scientific Research Program of China(JCKY2020408B002,WDZC2022-12)+2 种基金Key Research and Development Program of Shanxi Province(202102050201011,202202050201014)Science and Technology Major Project of Shanxi Province(20191102008,20191102007)Guiding Local Science and Technology Development Projects by the Central Government(YDZJSX2022A025,YDZJSX2021A027).
文摘Previous studies ofδhydride in zirconium alloys have mainly assumed an isotropic interface.In practice,the difference in crystal structure at the interface between the matrix phase and the precipitate phase results in an anisotropic interface.With the purpose of probing the real evolution ofδhydrides,this paper couples an anisotropy function in the interfacial energy and interfacial mobility.The influence of anisotropic interfacial energy and interfacial mobility on the morphology ofδhydride precipitation was investigated using the phase-field method.The results show that the isotropy hydride precipitates a slate-like morphology,and the anisotropicδhydride precipitates at the semi-coherent and non-coherent interfaces exhibited parallelogram-like and needle-like,which is consistent with the actual experimental morphology.Compared with the coherent interface,the semi-coherent or non-coherent interface adjusts the lattice mismatch,resulting in lower gradient energy that is more consistent with the true interfacial state.Simultaneously,an important chain of relationships is proposed,in the range of I_(x)<I_(y)<1.5I_(x)(I_(y)<I_(x) or I_(y)>1.5I_(x)),with the increase of the anisotropic mobility I_(y) in the y-axis,the gradient energy increases(decreases),the tendency of the non-coherent(semi-coherent)relationship at the interface,and the precipitation rate of hydride decreases(increases).Furthermore,the inhomogeneous stress distribution around the hydride leads to a localized enrichment of the hydrogen concentration,producing a hydride tip.The study of interfacial anisotropy is informative for future studies ofδhydride precipitation orientation and properties.
基金Project(10834015) supported by the National Natural Science Foundation of ChinaProject(12SKY01-1) supported by the Doctoral Fund of Shangluo University,ChinaProject(14JK1223) supported by the Scientific Research Program of Shaanxi Provincial Education Department,China
文摘Numerical simulations based on a new regularized phase-field model were presented, to simulate the solidification of hexagonal close-packed materials with strong interfacial energy anisotropies. Results show that the crystal grows into facet dendrites,displaying six-fold symmetry. The size of initial crystals has an effect on the branching-off of the principal branch tip along the<100> direction, which is eliminated by setting the b/a(a and b are the semi-major and semi-minor sizes in the initial elliptical crystals, respectively) value to be less than or equal to 1. With an increase in the undercooling value, the equilibrium morphology of the crystal changes from a star-like shape to facet dendrites without side branches. The steady-state tip velocity increases exponentially when the dimensionless undercooling is below the critical value. With a further increase in the undercooling value, the equilibrium morphology of the crystal grows into a developed side-branch structure, and the steady-state tip velocity of the facet dendrites increases linearly. The facet dendrite growth has controlled diffusion and kinetics.
基金Project supported by the National Natural Science Foundation of China (Grant Nos. 51871183 and 51571165)。
文摘Interfacial energy anisotropy plays an important role in tilted growth of eutectics. However, previous studies mainly focused on the solid-solid interface energy anisotropy, and whether the solid-liquid interface energy anisotropy can significantly affect the tilted growth of eutectics still remains unclear. In this study, a multi-phase field model is employed to investigate both the effect of solid-liquid interfacial energy anisotropy and the effect of solid-solid interfacial energy anisotropy on tilted growth of eutectics. The findings reveal that both the solid-liquid interfacial energy anisotropy and the solid-solid interfacial energy anisotropy can induce the tilted growth of eutectics. The results also demonstrate that when the rotation angle is within a range of 30°-60°, the growth of tilted eutectics is governed jointly by the solid-solid interfacial energy anisotropy and the solid-liquid interfacial energy anisotropy;otherwise, it is mainly controlled by the solid-solid interfacial energy anisotropy. Further analysis shows that the unequal pinning angle at triple point caused by the adjustment of the force balance results in different solute-diffusion rates on both sides of triple point. This will further induce an asymmetrical concentration distribution along the pulling direction near the solid-liquid interface and the tilted growth of eutectics. Our findings not only shed light on the formation mechanism of tilted eutectics but also provide theoretical guidance for controlling the microstructure evolution during eutectic solidification.
基金supported by the National Natural Science Foundation of China (Grant Nos. 11074112,10974032,and 51201114)the National Basic Research Program of China (Grant Nos. 2009CB929201 and 2010CB923401)the Key Project of the Chinese Ministry of Education (Grant No. 210074)
文摘Interfacial magnetic anisotropy in a Pt/CO1-xFex/Pt multilayer is tuned by doping iron atoms into the cobalt layer. The perpendicular magnetic anisotropy and out-of-plane coercivity are found to decrease with increasing x. For a specific x, the out-of-plane coercivity acquires a maximal value as a function of the thickness of the CoFe layer. At low temperature, the coercivity is enhanced. Small coercivity but reasonably large perpendicular magnetic anisotropy can be obtained by controlling the x and CoFe layer thickness.
基金supported by the Natural Science Foundation of Hunan Province for Distinguished Young Scholars (No. 2021JJ10062)National Key Research and Development Program of China (No. 2016YFB0301101)+2 种基金Science and Technology Program of Guangxi province, China (No. AB21220028)the financial support from the Fundamental Research Funds for the Central Universities of Central South University (No. 2019zzts050)Postgraduate Scientific Research Innovation Project of Hunan Province (No. CX20190106)。
文摘In this study,insights into the effect of interfacial anisotropy on a complex hexagonal close-packed(hcp) dendritic growth during alloy solidification were gained by graphics processing unit(GPU)-accelerated three-dimensional(3D) phase-field simulations,as demonstrated for a Mg-Gd alloy.An anisotropic phasefield model with finite interface dissipation was developed by incorporating the contribution of the anisotropy of interfacial energy into the total free energy functional.The modified spherical harmonic anisotropy function was then chosen for the hcp crystal.The GPU parallel computing algorithm was implemented in the present phase-field model,and a corresponding code was developed in the compute unified device architecture parallel computing platform.Benchmark tests indicated that the calculation efficiency of a single TESLA V100 GPU could be~80times that of open multi-processing(OpenMP) with eight central processing unit cores.By coupling the phase-field model with reliable thermodynamic and interfacial energy descriptions,the 3D phase-field simulation of α-Mg dendritic growth in the Mg-6Gd(in wt%) alloy during solidification was performed.Various two-dimensional dendrite morphologies were revealed by cutting the simulated 3D dendrite along different crystallographic planes.Typical sixfold equiaxed and butterflied microstructures observed in experiments were well reproduced.
基金financially supported by the National Key Research and Development Program of China(No.2016YFB0701304)the Natural Science Foundation of China(Nos.51671195 and51871225)the Chinese Academy of Sciences(Nos.QYZDJ-SSWJSC031-01,XDC01040100 and XXH13506-304)。
文摘Phase field simulations incorporating contributions from chemical free energy and anisotropic interfacial energy are presented for theβ→αtransformation in Ti-6 Al-4 V alloy to investigate the growth mechanism ofαlamellae of various morphologies from undercooledβmatrix.Theαcolony close to realistic microstructure was generated by coupling the Thermo-Calc thermodynamic parameters ofαandβphases with the phase field governing equations.The simulations show thatαlamellar side branches with feathery morphology can form under a certain combination of interfacial energy anisotropy and temperature.αlamellae tend to grow slowly at high heat treatment temperature and become wider and thicker as temperature increase from 800 to 900℃provided that the interfacial energy anisotropy ratio k_(x):k_(y) was set as 0.1:0.6.Besides,higher interfacial energy anisotropy can accelerate the formation ofαlamellae,and the equilibrium shape ofαlamellae changes from rod to plate as the interface energy anisotropy ratio k_(x):k_(y) vary from 0.1:0.4 to 0.1:0.8 under 820℃.Experiments were conducted to study theαlamellar side branches in Ti-6 Al-4 V(Ti-6.01 Al-3.98 V,wt.%)and Ti-4211(Ti-4.02 A1-2.52 V-1.54 Mo-1.03 Fe,wt.%)alloys with lamellar micro structure.Electron backscatter diffraction(EBSD)re sults show thatαlamellar side branches and their related lamellae share the same orientation.The predicted temperature range forαlamellar side branches fo rmation under various interfacial energy anisotropy is consistent with experimental results.
