【摘 要】本文是在电子、原子层次上进行多元合金设计的一个初步探索,研究表明,由原子间相互作用势计算确定合适的基体成分,选择尝试的合金总成分,通过经验公式计算碳 化物体积分数,取得与合适的相结构对应的合金总成分, 由试验检验设计的合理性。这样的 一种思路是可行的。关键词: 第一原理; 相互作用势; 多元合金; 合金设计AbstractThis is a preliminary investigation of alloy design for multi-element alloys at electronic and atomicscale. The research shows that this idea of alloy design was feasible that first calculating the propertiesof matrix with different compositions by interatomic potential, secondly selecting the attempt total composition of