Abstract
The main objective of the present work is to build a model and analyze the dynamic evolution process of antiphase domain boundary (APDB) in FeAl alloy. The formation, evolution of APDB, long range order (LRO), the crystal structure transition, impact of temperature on LRO, are investigated. Comparisons with experiments proves that the model is competent for the dynamic investigation of APDB in microscopic scale and able to predict different boundary-types and their corresponding atoms distribution. The dynamic process shows that the initial distribution of premier micro domains determine the morphology of APDB. The morphological evolution of APDB significantly affects the quantity of APDB. The in situ observation shows that the crystal structure of a micro domain is altered by the APDB movement. The calculated LRO revealed that the atoms in Al-sublattice mainly contribute to the low order degree of FeAl at different temperatures.
Highlights
In recent years, due to the development of modern industry the demand for structural materials is growing[1]
The alloy system is a disordered solid solution which is generated by assigning the average compositions of Fe and Al to the respective distribution functions at each lattice site
The present model provides a method for the investigations on the formation process, dynamic evolution routes of antiphase domain boundary (APDB) in FeAl-based alloy
Summary
Due to the development of modern industry the demand for structural materials is growing[1]. In view of the attractive properties, a series of investigations on the FeAl or FeAl-based alloys are performed. Among these works, some studies have been carried out in theories, such as effects of doping elements[8], slip[9,10], point defects[11,12], strengthening mechanisms[13], hydrogen-effect[14,15,16], basic theory calculation[17,18,19] and so on. Many of those investigations concentrate on the same subject of theoretical studies, such as point defects[20,21,22,23,24], hydrogen effect[25,26,27], and strengthening[28,29,30]. Compared with the theoretical studies, the experimental investigations focus on chemical and physical properties, such as oxidation and corrosion resistance[7,31,32]
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