A quick screening approach for design of multi-principal element alloy with solid solution phase
A quick screening approach for design of multi-principal element alloy with solid solution phase
复制标题
固溶相多主元合金设计的快速筛选方法
DOI：
10.1016/j.matdes.2019.107882
复制
发表时间：
2019
影响因子：
8.4
通讯作者：
Huang Qunying
中科院分区：
文献类型：
--
作者：
Zheng Mingjie;Ding Wenyi;Cao Weitao;Hu Shenyang;Huang Qunying
多元合金具有广阔的应用前景。然而，由于MPEA的广泛选择和复杂性，其组成设计是具有挑战性的。为了缩小MPEA的组成选择范围，提出了一种基于双参数法的MPEA设计快速筛选方法。定义了两个热力学参数--ζ模型和Ω模型，该模型定义了一个新的热力学参数，该参数是加权热模|ΔH|SUM的总和。从约200个实验数据中统计总结了固溶体MPEA的相选择规律。基于这两个参数和相选择规则的双参数方法可以很好地对常规钢、高熵钢、高熵合金和非晶态合金进行分类。将双参数法与蒙特卡罗抽样相结合的快速筛选方法应用于(CoCrFeMnNi)随机、Fe50(CoCrMnNi)随机和Fe50(CoCrMn)随机合金系统，从数百万个选项中预测出具有稳定固溶体相的最佳成分。实验结果验证了理论预测的正确性。这种快速筛选方法适用于不同类型的MPEA，可以为MPEA以及其他具有稳定固溶体相的合金的研究和开发提供便利。
Multi-principal element alloys (MPEAs) have wide promising applications. However, the composition design of MPEAs is challenging due to their vast options and complexity. To narrow down the composition options for MPEAs, a quick screening approach based on a two-parameter method was proposed for the MPEA design. Two thermodynamic parameters of the entropy-enthalpy differenceζand the entropy-enthalpy quotientΩmodwere defined based on a new enthalpy parameter which was proposed as the summation of the weighted enthalpy modulus |ΔH|sum. The phase selection rules for solid solution MPEAs were statistically summarized from ~200 experimental data. The two-parameter method based on these two parameters and phase selection rules can well classify the conventional steels, high-entropy steels, high-entropy alloys and amorphous alloys. The quick screening approach developed through the two-parameter method together with Monte Carlo sampling method was applied to the alloy systems of (CoCrFeMnNi)random, Fe50(CoCrMnNi)randomand Fe50(CoCrMn)randomto predict the optimal compositions with stable solid solution phases from millions of options. The theoretical prediction was validated by experimental results. This quick screening approach is applicable to different kinds of MPEAs and can facilitate the research and development of MPEAs as well as other alloys with stable solid solution phases.