Fe-B-Si-Nb块体非晶合金的成分设计与优化

发布时间：2018-03-28 23:27

本文选题：“团簇加连接原子”模型　切入点：Fe-B-Si-Nb块体非晶合金　出处：《金属学报》2016年11期

【摘要】：利用"团簇加连接原子"模型设计和优化具有高形成能力的Fe-B-Si-Nb块体非晶合金.以源于Fe-B二元共晶相的Fe_2B局域结构为基础,结合电子浓度判据,构建Fe-B二元理想非晶团簇式[B-B_2Fe_8]Fe;考虑到原子间混合焓的大小,选择Si和Nb原子分别替代[B-B_2Fe_8]团簇的中心原子B和壳层原子Fe,得到[Si-B_2Fe_(8-x)Nb_x]Fe系列四元非晶成分.结果表明,[Si-B_2Fe_(8-x)Nb_x]Fe团簇式在x=0.2~1.2成分处均可形成块体非晶合金,其中在x=0.4~0.5的成分区间内均可形成临界尺寸为2.5 mm的块体非晶合金.考虑到原子半径的大小,鉴于增加Nb的同时降低Si的含量可维持[Si-B_2Fe7.6Nb0.4]Fe非晶团簇结构的拓扑密堆性,由此得到另一系列[(Si1-yBy)-B_2Fe_(8-x)Nb_x]Fe团簇式成分.结果表明,在(x=0.5,y=0.05)~(x=0.9,y=0.25)成分区间内均可通过Cu模铸造法获得直径为2.5 mm的块体非晶.新设计获得的Fe-B-Si-Nb块体非晶合金具有优良的室温软磁性能和力学性能,其中[Si-B_2Fe_(8-x)Nb_x]Fe(x=0.2~0.6)非晶合金的饱和磁化强度为1.14~1.46 T,矫顽力为1.6~6.7 A/m;[(Si_(0.95)B_(0.05))-B_2Fe_(7.5)Nb_(0.5)]Fe块体非晶合金的室温压缩断裂强度达4220 MPa,塑性形变约为0.5%.
[Abstract]:Fe-B-Si-Nb bulk amorphous alloys with high formability were designed and optimized by using the cluster plus connected atom model. Based on the local structure of Fe_2B derived from the binary eutectic phase of Fe-B and the criterion of electron concentration, Fe-B binary ideal amorphous cluster [B-B_2Fe_8] Fe is constructed, considering the enthalpy of interatomic mixing, The [Si-B_2Fe_(8-x)Nb_x] Fe series quaternary amorphous compositions were obtained by replacing the central atom B and shell atom Fe of [B-B_2Fe_8] cluster with Si and NB atoms, respectively. The results show that the [Si-B_2Fe_(8-x)Nb_x] Fe cluster can form bulk amorphous alloy at the composition of XG 0.21.2. The bulk amorphous alloys with critical size of 2.5 mm can be formed in the composition range of xl0. 4 or 0. 5. Considering the size of atomic radius, considering the increase of NB and the decrease of Si content, the topological tightness of [Si-B_2Fe7.6Nb0.4] Fe amorphous cluster structure can be maintained. Thus, another series of [Si1-yBy-B2Fetix] Fe clusters have been obtained. The results show that, The bulk amorphous alloy with a diameter of 2.5 mm can be obtained by Cu mold casting in the composition range of 0.95% (0.95%). The newly designed Fe-B-Si-Nb bulk amorphous alloy has excellent soft magnetic properties and mechanical properties at room temperature. The saturation magnetization and coercivity of the amorphous alloy [Si-B_2Fe_(8-x)Nb_x] Fex _ XY _ (0.2N ~ (0.6)) are 1.14 ~ 1.46T, and the coercivity is 1.6 ~ 6.7 A / m; [Sii _ (0. 05) ~ 0. 05 ~ 0. 05 ~ 0. 05 ~ (0. 5) ~ (?)) Fe bulk amorphous alloy has a compressive fracture strength of 4220 MPA at room temperature and a plastic deformation of about 0. 5 MPA. The bulk amorphous alloy has a compressive fracture strength of 4220 MPA at room temperature and a plastic deformation of about 0. 5 MPA.
【作者单位】：江苏科技大学材料科学与工程学院;大连理工大学三束材料改性教育部重点实验室;内蒙古师范大学内蒙古自治区功能材料物理与化学重点实验室;
【基金】：国家自然科学基金项目51131002 中央高校基础研究基金项目DUT16ZD209和DUT13ZD102 中国工程物理研究院重点发展基金项目2013A03010115 国际热核聚变实验堆计划项目2013GB107003 西北工业大学凝固技术国家重点实验室开放课题项目SKLSP201607资助~~
【分类号】：TG139.8

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