Finding non-classical critical nuclei and minimum energy path of Cu   precipitates in Fe-Cu alloys

doi:10.1088/1361-651X/aa8eb9

CORC > 北京大学 > 生命科学学院

	Finding non-classical critical nuclei and minimum energy path of Cu precipitates in Fe-Cu alloys
	Li, Boyan ; Zhang, Lei ; Li, Chengliang ; Li, Qiulin ; Chen, Jun ; Shu, Guogang ; Weng, Yuqing ; Xu, Ben ; Liu, Wei
刊名	MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
	2017
关键词	Fe-Cu alloys non-classical clustering minimum energy path phase field model constrained string method NI QUATERNARY ALLOY NUCLEATION THEORY MODEL ALLOYS RPV STEELS ATOM-PROBE IRRADIATION SIMULATION TRANSFORMATIONS EMBRITTLEMENT MORPHOLOGIES
DOI	10.1088/1361-651X/aa8eb9
英文摘要	For most steels, the aging-or radiation-induced hardenability of Cu precipitates has been concerned for many years. Experiments show that Fe-Cu alloys undergo aging-or radiation-induced phase separation into Cu-rich precipitates, resulting in property degradation processes. In this work, we developed a model integrating constrained string method and phase-field approaches to investigate the non-classical critical nuclei and minimum energy path of Cu precipitates. The Fe-Cu binary alloy is taken as a model system. The free energies used in the phase-field model are from CALPHAD. The simulation results demonstrated that the formation of Cu stable clusters undergo an energy barrier and the predicted thermodynamic properties of the critical nucleus which are related to temperature and Cu overall concentration, in good agreement with the theoretical calculation as well as experimental observations.; National Natural Science Foundation of China [51301094]; National Magnetic Confinement Fusion Science programme of China [51471092]; China Nuclear Power Engineering Co., Ltd [2013966003]; Tsinghua National Laboratory for Information Science and Technology; China NSFC [11622102, 11421110001]; SCI(E); ARTICLE; 8; 25
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/484501]
专题	生命科学学院
推荐引用方式 GB/T 7714	Li, Boyan,Zhang, Lei,Li, Chengliang,et al. Finding non-classical critical nuclei and minimum energy path of Cu precipitates in Fe-Cu alloys[J]. MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING,2017.
APA	Li, Boyan.,Zhang, Lei.,Li, Chengliang.,Li, Qiulin.,Chen, Jun.,...&Liu, Wei.(2017).Finding non-classical critical nuclei and minimum energy path of Cu precipitates in Fe-Cu alloys.MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING.
MLA	Li, Boyan,et al."Finding non-classical critical nuclei and minimum energy path of Cu precipitates in Fe-Cu alloys".MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2017).