温度对DO₂₂结构Ni₃V反位缺陷影响的微观相场法模拟

来源期刊：有色金属2010年第3期

论文作者：张静 陈铮 王永欣 卢艳丽 苗海川

文章页码：6 - 11

关键词：金属材料； 反位缺陷； 微观相场； Ni₃V； 择优占位

Key words：metal material； antisite defect； microscopic phase field； Ni₃V； site preference

摘    要：运用微观相场法研究温度对DO₂₂结构反位缺陷的影响。结果显示,无论是α亚晶格上的反位缺陷VNi和AlNi还是β亚晶格上的NiV和AlV,其值均随温度升高而升高。β亚晶格上的反位缺陷NiV随温度升高而升高的速率和幅度最大,并且无论是在低温还是高温下其值均大于其他类型的反位缺陷值。Al原子在α亚晶格的占位几率高于在β亚晶格的占位几率,Al优先占据α亚晶格。

Abstract: The relationship between antisite defect of DO₂₂ structure and temperature is investigated by microscopic phase field method.The results show that both antisite defect VNi and AlNi located in α sublattice and NiV as well as AlV located in β sublattice are all increased with increase of the temperature.VNi is the most sensitive defect to temperature,and it is the main antisite type for its value higher than other antisite defects at any temperature,especially at high temperature.The occupy probability of Al atom at α sublattice is slightly higher than that at β sublattice at the studied temperature range,Al have a preference of taking α sublattice.