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Effects of Rare Earth (La, Ce) on Martensite Phase Transformation with Fe Passing Bain Transformation Path
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Xue-yun Gao1, 2, Lei Xing1, 2, Wen-bo Fan1, 2, Yang Yu1, 2, Hai-yan Wang1, 2
Science & Technology of Baotou Steel | 2024, 50(4) : 47 - 53
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Science & Technology of Baotou Steel | 2024, 50(4): 47-53
Effects of Rare Earth (La, Ce) on Martensite Phase Transformation with Fe Passing Bain Transformation Path
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Xue-yun Gao1, 2, Lei Xing1, 2, Wen-bo Fan1, 2, Yang Yu1, 2, Hai-yan Wang1, 2
Affiliations
  • 1. School of Materials Science and Engineering, Inner Mongolia University of Science and Technology, Baotou 014010, Inner Mongolia Autonomous Region, China
  • 2. Inner Mongolia Key Laboratory of New Metal Material, Baotou 014010, Inner Mongolia Autonomous Region, China
Published: 2024-08-25
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The exploration for effects of rare earth (RE) on phase transformation of Fe-based alloy is significant in the development process of advanced high strength steel containing RE. In the paper, the effects of La and Ce on martensite phase transformation of steel are studied from such two aspects as driving force and minimum energy path (MEP) using first principles calculations. The calculations of formation energy revealed that the stability of fcc-Fe was increased and stability of bcc-Fe was decreased through substitution of RE for part of Fe atom so that the driving force of martensite phase transformation was decreased. Meanwhile, the analysis on generalized solid-state nudged elastic band method indicated that there would be an additional energy barrier when phase transformation went on to the FM state with ratio c/a of 1.14 along Bain transformation path in the system containing RE, which was related to the sudden decrease of magnetic moment caused by the hybridization between atomic orbital of RE and nearby atomic orbital of Fe.

first principles calculations  /  rare earth  /  Fe  /  generalized solid-state nudged elastic band  /  martensitic transformation
Xue-yun Gao, Lei Xing, Wen-bo Fan, Yang Yu, Hai-yan Wang. Effects of Rare Earth (La, Ce) on Martensite Phase Transformation with Fe Passing Bain Transformation Path[J]. Science & Technology of Baotou Steel, 2024 , 50 (4) : 47 -53 .
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  • Receive Date：2024-06-12
  • Online Date：2025-10-24
  • Published：2024-08-25
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  • Received：2024-06-12
Affiliations
    1. School of Materials Science and Engineering, Inner Mongolia University of Science and Technology, Baotou 014010, Inner Mongolia Autonomous Region, China
    2. Inner Mongolia Key Laboratory of New Metal Material, Baotou 014010, Inner Mongolia Autonomous Region, China
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表12种不同金属材料的力学参数
科
Family		 属数
Number of
genus		 种数
Number of
species		 占总种数比例
Percentage of
total species (%)		 属
Genus		 种数
Number of
species		 占总种数比例
Percentage of total
species (%)
鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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