High Temperature Tensile and Compressive Behaviors of Nanostructured Polycrystalline AlCoCrFeNi High Entropy Alloy: A Molecular Dynamics Study

IF 1.5 4区 材料科学 Q3 ENGINEERING, MECHANICAL
Sungmin Yoon, Yasuhiro Kimura, Motoki Uchida, Yang Ju, Yuhki Toku
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Abstract

Abstract Molecular dynamics studies were performed to assess tensile and compressive behaviors at high temperatures up to 1200 °C for nanostructured polycrystalline AlCoCrFeNi high entropy alloy (HEA). As the temperature increased, the tensile yield stress, tensile/compressive ultimate strengths, and elastic modulus decreased, whereas the compressive yield stress remained constant. The temperature dependence of the phase structures (face-centered cubic (FCC) and hexagonal close-packed (HCP)) showed notable features between tension and compression. The HEA underwent FCC → HCP phase transformation when strained under both tension and compression. The evolution of the intrinsic stacking faults (ISFs) and extrinsic stacking faults (ESFs), which underwent FCC → HCP phase transformation, was observed. During compression, the ISFs → ESFs transition produced parallel twins. The evolution of mean dislocation length for the perfect, Shockley, and stair-rod partial dislocations was observed. Changes in the Shockley and stair-rod partial dislocations were observed after experiencing strain. The temperature dependence of the Shockley partial dislocation was high, whereas the stair-rod partial dislocation exhibited low-temperature dependence. From the simulation results, the structural usage of nanostructured polycrystalline AlCoCrFeNi HEA at elevated temperatures is recommended.
纳米结构多晶AlCoCrFeNi高熵合金的高温拉伸和压缩行为:分子动力学研究
采用分子动力学方法研究了纳米结构多晶AlCoCrFeNi高熵合金(HEA)在高达1200℃高温下的拉伸和压缩行为。随着温度的升高,拉伸屈服应力、拉伸/压缩极限强度和弹性模量减小,而压缩屈服应力保持不变。面心立方(FCC)和六方密排(HCP)相结构的温度依赖性在拉伸和压缩之间表现出明显的特征。HEA在拉伸和压缩作用下均发生FCC→HCP相变。观察了FCC→HCP相变过程中内部层错(ISFs)和外部层错(ESFs)的演化过程。在压缩过程中,isf→esf的跃迁产生平行孪晶。观察了完美位错、肖克利位错和阶梯棒位错的平均位错长度的变化。在经历应变后观察到肖克利和楼梯杆部分位错的变化。肖克利位错的温度依赖性较高,而阶梯形位错的温度依赖性较低。从模拟结果来看,建议在高温下使用纳米结构的多晶AlCoCrFeNi HEA。
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来源期刊
CiteScore
3.00
自引率
0.00%
发文量
30
审稿时长
4.5 months
期刊介绍: Multiscale characterization, modeling, and experiments; High-temperature creep, fatigue, and fracture; Elastic-plastic behavior; Environmental effects on material response, constitutive relations, materials processing, and microstructure mechanical property relationships
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