AlFeCoCrNiMox高熵合金热学特性仿真分析

    Simulation Analysis on Thermophysical Properties of AlFeCoCrNiMox High Entropy Alloys

    • 摘要: 目前,国内外对高熵合金的研究主要集中在制备工艺、微观结构的表征、物理化学特性研究,借助电镜设备观测微观形貌进行分析,伴随着计算机技术的高速发展和广泛应用,相图计算方法在材料科学领域也在蓬勃发展。采用相图计算方法对AlFeCoCrNiMox高熵合金热力学、凝固特性仿真,分析了温度与相含量及各相中元素原子含量关系和凝固过程固相分数与各相中元素原子含量关系。结果表明,合金相含量及各相中元素原子含量随温度发生变化,在温度与相含量关系曲线中,随Mo元素含量增加,可提高合金中σ相、Mo相含量,同时降低γ相、BCC相的含量,即改变合金强度、硬度、塑性和韧性。当固相分数趋于1.0(即完全凝固状态)时,LIQUID相中MU元素增加,Ni元素含量降低明显,NiAl相中Ni元素随Co元素含量增加而降低明显,γ相中Mo元素增加与Ni元素含量降低明显,BCC相中Co元素含量随Mo元素增加而降低明显;σ相中主要是Cr元素,在固相分数趋于1.0过程中元素含量无明显变化,合金系的σ相中Mo元素含量逐渐增加。

       

      Abstract: At present, the research on high entropy alloys at home and abroad mainly focuses on the preparation process, microstructure characterization and physicochemical properties.With the rapid development and wide application of computer technology, the phase diagram calculation method is also booming in the field of materials science.The thermodynamics and solidification characteristics of AlFeCoCrNiMox high entropy alloy were simulated by phase diagram method.The relationship between temperature and phase content, element atomic content in each phase, and the relationship between solid fraction and element atomic content in each phase were analyzed.The simulation results show that the content of alloy phase and element atom in each phase changes with temperature. In the relationship curve between temperature and phase content, with the content of Mo element increasing, the σ atomic content and MU phase of alloy increase. At the same time, the γ phase and BCC content decrease, then, the strength, hardness, plasticity and toughness of the alloy changes. When the solid fraction tends to 1.0 (i.e.fully solidified state), the content of Mo in liquid phase increases and that of Ni decreases obviously, while that of Ni in NiAl phase decreases obviously with the increase of Co content, the increase of Mo and Ni in γ phase decrease obviously, while the increase of Co in BCC phase decreases obviously with the increase of Mo.The Cr element is main phase in σ phase, while the content of Mo element in the σ phase increases gradually as the solid fraction approaches 1.0.

       

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