In this work,a novel computational model for the description of the temperature-and composition-dependent isotropic interfacial energy in multicomponent alloys was first developed in the framework of the CALculation o...In this work,a novel computational model for the description of the temperature-and composition-dependent isotropic interfacial energy in multicomponent alloys was first developed in the framework of the CALculation of PHAse Diagram(CALPHAD)approach and implemented in a home-made code.By linking to the open-source code for interfacial energy calculation in alloys,OpenIEC,the databases for isotropicγ/liquid andγ/γ’interfacial energies in Ni-Al,Ni-Cr,Al-Cr,and Ni-Al-Cr systems were then efficiently established.After that,a direct coupling strategy between the current CALPHAD interfacial en-ergy database and the phase-field model with finite interface dissipation was proposed and applied to three-dimensional(3-D)phase-field simulations of the primaryγdendritic growth in both Ni-Al and Ni-Al-Cr alloys during isothermal solidification.The effect of the interfacial energy on the morphology,tip growth rate,and partitioning coefficients in primaryγdendrites of binary Ni-Al and ternary Ni-Al-Cr alloys was investigated by comprehensively comparing the phase-filed simulation results using the composition-/temperature-dependent interfacial energies with those using the constant value.It is an-ticipated that the presently developed CALPHAD model for interfacial energy is of general validity for different multicom ponent alloys and should be integrated with the phase-field model for quantitative simulation of their microstructure evolution.展开更多
基金supported by the Natural Science Foundation of Hunan Province(No.2021JJ10062)the Science and Technology Committee of Shanghai(No.19010500400)+2 种基金the Guangdong Province Key-Area Research and Development Program of China(No.2019B010943001)S.Yang acknowledges the finan-cial support from the Fundamental Research Funds for the Cen-tral Universities of Central South University(No.2019zzts050)the Postgraduate Scientific Research Innovation Project of Hunan Province(No.CX20190106).
文摘In this work,a novel computational model for the description of the temperature-and composition-dependent isotropic interfacial energy in multicomponent alloys was first developed in the framework of the CALculation of PHAse Diagram(CALPHAD)approach and implemented in a home-made code.By linking to the open-source code for interfacial energy calculation in alloys,OpenIEC,the databases for isotropicγ/liquid andγ/γ’interfacial energies in Ni-Al,Ni-Cr,Al-Cr,and Ni-Al-Cr systems were then efficiently established.After that,a direct coupling strategy between the current CALPHAD interfacial en-ergy database and the phase-field model with finite interface dissipation was proposed and applied to three-dimensional(3-D)phase-field simulations of the primaryγdendritic growth in both Ni-Al and Ni-Al-Cr alloys during isothermal solidification.The effect of the interfacial energy on the morphology,tip growth rate,and partitioning coefficients in primaryγdendrites of binary Ni-Al and ternary Ni-Al-Cr alloys was investigated by comprehensively comparing the phase-filed simulation results using the composition-/temperature-dependent interfacial energies with those using the constant value.It is an-ticipated that the presently developed CALPHAD model for interfacial energy is of general validity for different multicom ponent alloys and should be integrated with the phase-field model for quantitative simulation of their microstructure evolution.
