贝氏体钢时效处理富Cu团簇析出特点及其第一性原理计算

doi:10.11896/cldb.23030267

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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.

Key words： 15Cr12CuSiMoMn steel Cu-rich clusters aging treatment structural transformation

Published: 25 July 2024 Online: 2024-08-12

CLC number:

TG142.1

Fund:National Natural Science Foundation of China (51764047).

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	Articles by authors
	YANG Jie
	REN Huiping
	WANG Haiyan
	GAO Xueyun
	LIU Zongchang

Cite this article:

YANG Jie,REN Huiping,WANG Haiyan, et al. Precipitation Characteristics and First-principles Calculation of Cu-Rich Clusters in Bainite Steel Aged Treatment[J]. Materials Reports, 2024, 38(14): 23030267-7.

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http://www.mater-rep.com/EN/10.11896/cldb.23030267 OR http://www.mater-rep.com/EN/Y2024/V38/I14/23030267

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