采用基于密度泛函理论(DFT)的第一性原理,研究了稀土La对含铌钢中NbC在铁素体区析出行为的影响.计算了α-Fe中La原子和Nb原子与空位之间,以及La原子和Nb原子之间的点缺陷结合能;此外,讨论了La在α-Fe中与Nb扩散激活能的关系.在此基础上,分析了稀土加入对铌析出行为的影响.结果表明:La原子与空位之间有较强的相互吸引作用,而与Nb原子之间则为相互排斥,这种结合能的差异会造成Nb的扩散迁移能有所升高.同时,La的加入使Nb原子近邻的空位形成能显著降低,从而促进α-Fe中Nb原子近邻空位的形成.迁移能与空位形成能变化的计算结果显示,La能够使α-Fe中Nb的扩散激活能显著降低,从而促进了铁素体区NbC的析出.
参考文献
| [1] | Shanmugam S;Ramisetti NK;Misra RDK;Hartmann J;Jansto SG .Microstructure and high strength-toughness combination of a new 700 MPa Nb-microalloyed pipeline steel[J].Materials Science & Engineering, A. Structural Materials: Properties, Misrostructure and Processing,2008(1/2):26-37. |
| [2] | Yakubtsov, IA;Poruks, P;Boyd, JD .Microstructure and mechanical properties of bainitic low carbon high strength plate steels[J].Materials Science & Engineering. A, Structural Materials: Properties, Microstructure and Processing,2008(1-2):109-116. |
| [3] | 李春龙.稀土在钢中应用与研究新进展[J].稀土,2013(03):78-85. |
| [4] | 叶文.Spectral Characteristics and Its Regularity of Rare Earth Ions in Inorganic Microporous Material Ⅲ.Spectral Characteristics of Ce3+ in Zeolite Hosts[J].JOURNAL OF RARE EARTHS,1994(04):292. |
| [5] | 王炜,谷海容.卷取温度对X80管线钢析出行为与性能的影响[J].材料与冶金学报,2010(03):207-210. |
| [6] | 冯金玉,唐荻,赵征志.卷取温度对X100管线钢组织和性能的影响[J].材料热处理学报,2014(01):140-145. |
| [7] | You, Y.;Yan, M.F..Behaviors and interactions of la atom with other foreign substitutional atoms (Al, Si, Ti, V, Cr, Mn, Co, Ni, Cu, Nb or Mo) in iron based solid solution from first principles[J].Computational Materials Science,2013:120-127. |
| [8] | 马瑞,谢泉,黄晋.合金化效应对Fe3Si结构稳定性和力学性能的影响[J].稀有金属材料与工程,2014(03):665-670. |
| [9] | 黄志伟,赵宇宏,侯华,王忠,穆彦青,牛晓峰,韩培德.V掺杂Ni3Al点缺陷结构及合金化效应的第一性原理研究[J].稀有金属材料与工程,2011(12):2136-2141. |
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