基于固溶体短程序结构的团簇式合金成分设计方法

发布时间：2018-06-23 17:06

本文选题：成分设计 + 多组元合金　；参考：《物理学报》2017年02期

【摘要】：合金成分设计对于研发高性能复杂合金材料至关重要,是实现新材料研发由经验指导实验的传统模式向理论预测、实验验证的新模式转变的关键环节.总结了合金研发中常用设计方法的应用领域及存在的局限性,包括Hume-Rothery规则、电子理论、当量法、计算机模拟等.详细介绍了我们提出的基于固溶体局域短程序结构的团簇成分式设计方法.该方法建立在团簇加连接原子稳定固溶体结构模型基础上,其在不同复杂合金体系中的成功应用表明了该方法的普适性,为多元复杂合金成分设计提供了一种简单、精确的途径.
[Abstract]:The design of alloy composition is very important to the research and development of high performance complex alloy materials. It is the key link to change the new material research from the traditional mode of experience guiding experiment to the new model of theory prediction and experimental verification. The application fields and limitations of common design methods in alloy research and development are summarized, including Hume-Rothery rule, electronic theory, equivalent method, computer simulation and so on. The design method of cluster composition based on the local short program structure of solid solution is introduced in detail. The method is based on the cluster coupled atomic stable solid solution structure model. Its successful application in different complex alloy systems shows its universality and provides a simple method for the composition design of multicomponent complex alloys. A precise approach.
【作者单位】：大连理工大学材料科学与工程学院三束材料改性教育部重点实验室;
【基金】：国家自然科学基金(批准号:51131002) 辽宁省自然科学基金(批准号:2015020202) 国际科技合作计划(批准号:2015DFR60370) 中央高校基本科研业务费专项资金(批准号:DUT16ZD212) 国家重点研发计划(批准号:2016YFB0701200)资助的课题~~
【分类号】：TG131

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