钢铁研究学报, 2017, 29(1): 50-57.
10.13228/j.boyuan.issn1001-0963.20160160
依据固体与分子经验电子理论(EET)，计算了渗碳体的价电子结构，确定了含 V、Mn渗碳体的稳定结构分别为θ-(Fe2.75 Mn0.25)C、θ-(Fe2.5 V0.5)C.计算θ-Fe3 C、θ-(Fe2.5 V0.5)C 和θ-(Fe2.75 Mn0.25)C 的比饱和磁化强度MS 分别为167.19、111.20和146.32 A·m2/kg.制备的不同 V含量的未冷拉70和80级帘线钢的MS 计算误差在0.18％~6.22％，与振动样品磁强计(VSM)的实测值符合较好.建立了渗碳体溶解的4阶段模型，得出了渗碳体溶解对未冷拉帘线钢MS 的影响规律.帘线钢冷拉后MS 的巨变表明：铁素体中 Fe原子的平均原子磁矩和原子状态发生重大改变；计算发现其原子状态根据钢的成分与应变量，会从甲种(A)变成乙种(B)甚至丙种(C)杂化状态.
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