Fe-B-P(C, Si)非晶合金的成分设计及软磁性能研究

项目名称： Fe-B-P(C, Si)非晶合金的成分设计及软磁性能研究

项目编号： No.51501104

项目类型： 青年科学基金项目

立项/批准年度： 2016

项目学科： 一般工业技术

项目作者： 李雪莲

作者单位： 山东大学

项目金额： 23万元

中文摘要： Fe基非晶合金具有较优异的综合软磁性能，将其制成小型配电变压器，满足节能减排的重大需求。但其局限是饱和磁感应强度（Bs）较低，造成产品体积较大，成本增加。增加Fe含量是提高Bs的有效手段，同时类金属的掺杂对改善非晶形成能力尤为重要。目前类金属掺杂仍是经验式，缺乏科学的理论指导。本项目拟以形成非晶成分范围较宽的Fe-B-P合金为研究对象，通过对富P区和富B区非晶形成能力和软磁性能的实验研究，揭示高非晶形成能力的电子浓度特征；通过第一性原理分子动力学方法模拟非晶合金中的团簇结构，探索Fe基非晶中出现几率最高的团簇类型与非晶形成能力的关系，揭示不同类金属元素在价电子数和原子半径方面的差异对非晶形成的影响；进而指导在高Fe含量（80%以上）的Fe-B-P非晶合金基础上掺杂C或Si，获得高Bs、低矫顽力的Fe-B-P(C, Si)非晶合金，最终为Fe基非晶合金中类金属的科学成分设计提供理论依据。

中文关键词： 非晶态合金；近自由电子近似理论；原子结构；软磁性能

英文摘要： Fe-based metallic glasses have attracted considerable research interests due to their successful commercial applications as transformer core laminations with their excellent soft magnetic properties. But the lower saturation magnetization of Fe-based metallic glasses than silicon steel restrict the application. In Fe-based metallic glass, high Fe content can improve the saturation magnetization, and the metalloid alloying is important to improve glass formation. However, it remains a mystery on the quantitative correlation between metalloid alloying and the formation of Fe-based metallic glasses. The variation of atomic structures and electronic structure underpins the physical origin of the effect of alloying elements on the glass forming ability and properties of Fe-based metallic glasses. This project will research the influence the electron concentration and atomic configuration on glass formation of Fe-B-P alloys through wide composition range. And the relationship between electronic concentration and glass forming ability will be discussed through experimental methods, combined with the first-principles molecular dynamics simulations to analysis the intrinsic correlation between preferred polyhedra type and glass forming ability. Then, the correlation between atomic structure and electronic concentration of Fe-based mtallic glasses will be discussed. According to the above results, novel Fe-B-P(C,Si) metallic glass with high Fe content and high glass forming ability will be developed through proper admixture of metalloid elements C or Si in Fe-B-P metallic glass with more than 80% Fe.Finally, These findings will provide new guideline on the accurate control of the metalloid concentration for developing Fe-based metallic glasses with good soft magnetic properties and high glass forming ability.

英文关键词： metallic glasses;Nearly-Free-Electron model;atomic structure;soft magnetic properties