(1. 浙江師范大學(xué) 工學(xué)院，金華 321004；
2. 浙江師范大學(xué) 浙江省城市軌道交通智能運(yùn)維技術(shù)與裝備重點(diǎn)實(shí)驗(yàn)室，金華 321004；
3. 西北工業(yè)大學(xué) 材料學(xué)院，西安 710072)
摘 要: 基于微觀相場(chǎng)理論研究了不同原子間近鄰作用勢(shì)(W)對(duì)Ni-Al-Cr合金析出過(guò)程和微觀結(jié)構(gòu)的影響。根據(jù)原子間近鄰作用勢(shì)與長(zhǎng)程序參數(shù)方程的L10、L12和D022相的原子間近鄰作用勢(shì)公式，計(jì)算出Ni-Al-Cr合金的L10、L12和D022相的不同原子間近鄰作用勢(shì)。結(jié)果表明：隨著溫度的增長(zhǎng)/減小，原子間近鄰作用勢(shì)近似呈線性增長(zhǎng)/減小；隨著溶質(zhì)原子濃度的增長(zhǎng)以及長(zhǎng)程序參數(shù)的增大，原子間近鄰作用勢(shì)均呈上升趨勢(shì)；Ni-Al、Ni-Cr、Cr-Al原子間近鄰作用勢(shì)的變化對(duì)L10、L12和D022析出相的沉淀形貌和體積分?jǐn)?shù)的影響也各不相同：Ni-Al的第二近鄰作用勢(shì)的變化對(duì)于沉淀形貌和體積分?jǐn)?shù)幾乎無(wú)影響，而Ni-Cr第四近鄰作用勢(shì)的變化對(duì)沉淀形貌和體積分?jǐn)?shù)的影響非常大。同時(shí)發(fā)現(xiàn)與其他方法相比，所得不同原子間近鄰作用勢(shì)結(jié)果近似，且沉淀形貌與實(shí)驗(yàn)結(jié)果吻合。
關(guān)鍵字: Ni-Al-Cr合金；微觀相場(chǎng)理論；原子間近鄰作用勢(shì)；析出相；沉淀形貌
（1. College of Engineering, Zhejiang Normal University, Jinhua 321004, China;
2. Key Laboratory of Intelligent Operation and Maintenance Technology and Equipment for Urban Rail Transit of Zhejiang Province, Zhejiang Normal University, Jinhua 321004, China;
3. College of Material, Northwestern Polytechnical University, Xi’an 710072, China）
Abstract:The effects of different interatomic potentials to the precipitation process and microstructure of Ni-Al-Cr alloy based on the microscopic phase-field theory were investigated. According to the formula of the interatomic nearest neighbor interaction potentials of L10, L12 and D022 phases and the long range order parameter equation, the different interatomic potentials of L10, L12 and D022 phases in Ni-Al-Cr alloy were calculated. The results indicate that, with the change of temperature, the interatomic potentials change as well. With the concentrations of Al and Cr increase, the interatomic potentials increase as well. The changes of interatomic potentials of Ni-Al, Ni-Cr and Cr-Al have different effects on precipitation morphologies and volume fractions of L10 phase, L12 phase and D022 phase, for example, the change of the second neighbor potential of Ni-Al has no effect on the results. However, there is a great effect to precipitation morphology and volume fraction when the forth neighbor potential of Ni-Cr changes. Moreover, compared with other methods, the result of interatomic potential of this paper is close to their results, and the result of simulation is also similar to that of the experiment.
Key words: Ni-Al-Cr alloy; microscopic phase-field theory; interatomic potentials; precipitate phase; precipitation morphology
