The precipitating kinetics of Ni75Al17Zn8 alloy was studied at both 873K and 973K by microscopic phase-field model.The calculation results show that the order-disorder transformation experiences the matrix→lowly-ordered L10 phase→L12 phase at 973 K.And the nucleation of L12 particles belongs to the spinodal decomposition mechanism.As temperature increases,orderings of Al and Zn atoms are resisted,but coarsening of L12 particles is promoted.The value of coarsening kinetic exponents approaches to 1/2.In addition,the discussions about Ni-Al anti-site defect and Zn substitutions for Ni site and Al site exhibit that the higher the temperature,the more distinctive the Ni-Al anti-site defect,but the less the Zn substitution.
Kinetics of order-disorder transition at antiphase domain boundary(APDB) formed between L12(Ni3Al) phases is investigated using microscopic phase-field model. The results demonstrate that whether order-disorder transition happens or not depends on the atomic structure of the APDB. Accompanied with the enrichment of V and depletion of Ni and Al,the ordered APDB with phase-shift vector of a/2[100] transforms into a thin disordered phase layer. Whereas at the APDB with phase shift vector of a/2[110],which remains ordered with temporal evolution,Ni and Al enrich and V depletes. Composition evolution of APDB with order-disorder transition favors the nucleation of DO22 phase,and the formation of disordered phase layer accelerates the growth of DO22 phase. The disordered phase caused by order-disordered transition of the APDB can be considered as the transient phase along the precipitation path of DO22 phase.
ZHANG MingYi YANG Kun CHEN Zhen WANG YongXin FAN XiaoLi
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.
ZHANG Jing ,CHEN Zheng,LU YanLi,ZHANG MingYi & WANG YongXin State Key Laboratory of Solidification Processing
