Abstract: The evolution characteristics of Cu-rich clusters in the aging process of low carbon bainitic steel (15Cr12CuSiMoMn) were studied. Based on the calculation of first principles, the disordered solid solution structure model of Fe-Cu binary system was constructed by SQS, SSNEB method, and the energy path of phase transition was simulated. The relationship between the evolution rule of precipitated phase and the simulation calculation was analyzed and characterized. The results show that the experimental steel is aged at a specified temperature (500 ℃), and about 2.6—53 nm of Cu-rich clusters are separated from the experimental steel at each stage of aging treatment, and exist in the matrix in coherent and non-coherent states. According to the simulation calculation, the energy barrier of 8.9 meV should be overcome during the transition from BCC-Cu to 9R-Cu, and 4.9 meV should be overcome during the transition from 9R-Cu to twin FCC-Cu+9R-Cu. There is a 0.14 eV/atom difference between the transient BCC Cu clusters and the stable FCC Cu clusters. When the Cu content exceeds 21.6at%, the Cu rich clusters evolve from BCC structure to stable FCC-Cu structure. By analyzing the precipitation tendency of Cu-rich clusters from the perspective of energy, the precipitation habit sequence of Cu-rich clusters is explained, which is conducive to the optimization of bainite structure, and provides a theoretical reference for the further study of Cu-containing bainite precipitation steel and the development of related fields.
1 Sen I, Amankwah E, Kumar N S, et al. Materials Science & Engineering A, 2011, 528(13-14), 44. 2 Zhang C, Dong J, Liu W, et al. Acta Metallurgica Sinica, 2010, 46(9), 41(in Chinese). 张弛, 董洁, 刘伟, 等. 金属学报, 2010, 46(9), 41. 3 Isheim D, Vaynman S, Fine M E, et al. Scripta Materialia, 2008, 59(12), 35. 4 Monzen R, Iguchi M, Jenkins M L. Philosophical Magazine Letters, 2000, 80(3), 137. 5 Lee T H, Kim Y O, Kim S J. Philosophical Magazine, 2007, 87(2), 209. 6 Xu G, Chu D, Cai L, et al. Acta Metallurgica Sinica, 2011, 47(7), 905(in Chinese). 徐工, 楚迪, 蔡琳, 等. 金属学报, 2011, 47(7), 905. 7 Isheim D, Kolli R P, Fine M E, et al. Scripta Materialia, 2006, 55(1), 35. 8 Miller M K, Russell K F. Journal of Nuclear Materials, 2007, 371(1-3), 145. 9 Xiang H L, Fan J C, Liu D, et al. Acta Metallurgica Sinica, 2012, 48(9), 81(in Chinese). 向红亮, 范金春, 刘东, 等. 金属学报, 2012, 48(9), 81. 10 Xiang H L, Fan J C, Liu D, et al. Acta Metallurgica Sinica, 2013, 32(7), 241(in Chinese). 向红亮, 范金春, 刘东, 等. 金属学报, 2013, 32(7), 241. 11 Han G, Hu B, Yu Y S, et al. Materials Characterization, 2020, 131(1-3), 145. 12 Han G, Shang C J, Misra R, et al. Physica B Condensed Matter, 2019, 31(7), 569. 13 Han G, Xie Z J, Lei B, et al. Materials Science and Engineering A, 2018, 87(2), 901. 14 Kresse G, Joubert D. Acta Materialia, 2012, 60(20), 72. 15 Titahara R, Riromotol D. Acta Materialia, 2005, 34(4), 179. 16 Takayama. Acta Materialia, 2012, 43(3), 409. 17 Guo Z, Lee C S, Morris J W. Acta Materialia, 2004, 52(19), 5511. 18 Kaneshita T, Miyamoto G, Furuhara T. Acta Materialia, 2017, 27(11), 368. 19 Gong X F , Yang G X , Fu Y H , et al. Computational Materials Science,2009, 47(7), 129. 20 Wang Y ,Hou H ,Yin J , et al. Computational Materials Science,2008, 27(2), 233.21 Kimura M, Gao X, Bai Y, et al. Materials Characterization, 2012, 67, 34. 22 Salje K, Gao F. Materials Science and Engineering A, 2013, 55(1), 231. 23 Heo C, Joao Q, Li L M, et al. Applied Mechanics & Materials, 2012, 7(8), 173.
渝公网安备50019002502923号 版权所有：《材料导报》编辑部
2024, Vol. 38 
