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Active learning prediction and electromagnetic levitation measurement of metastable liquid properties of Ti-Al-Zr alloy
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R.L. Xiao, K.L. Liu, H.R. Li, Y. Ruan*
Review of Materials Research | 2025, 1(1) : 100004
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Review of Materials Research | 2025, 1(1): 100004
• FLASH REPORT •
Active learning prediction and electromagnetic levitation measurement of metastable liquid properties of Ti-Al-Zr alloy
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R.L. Xiao, K.L. Liu, H.R. Li, Y. Ruan*
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  • MOE Key Laboratory of Materials Physics and Chemistry under Extraordinary Conditions, Northwestern Polytechnical University, Xi'an, 710072, China
Published: 2025-04-03 doi: 10.1016/j.revmat.2025.100004
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The accurate knowledge of liquid properties for Ti-Al based alloys is of great significance for scientific explorations such as revealing the atomic-scale behaviors in alloy processing and realizing the optimization of manufacture technology. By means of the active learning method based on deep neural network (DNN) and electromagnetic levitation technology (EML), we investigate the microstructure evolution of Ti47Al47Zr6 alloy, and with a focus on obtaining its liquid state properties. The density, surface tension, viscosity of this liquid alloy and the related self-diffusion coefficient are predicted by the DNN potential. The calculated surface tension exhibits only a deviation of less than 2 % as compared with EML experimental values. The liquid local structure characteristics acquired through Voronoi polyhedron analysis indicate that the fraction of relatively high-coordinated clusters with Al as the central atom displayed an anomalous decrease with the falling of liquid temperature. This effect is attributed to the tendency of these clusters to form icosahedral-like geometries, resulting in an increased fraction of icosahedral-like geometries in liquid alloy.

Active learning  /  Neural network  /  Thermophysical properties  /  Liquid local structure  /  Molecular dynamics
R.L. Xiao, K.L. Liu, H.R. Li, Y. Ruan. Active learning prediction and electromagnetic levitation measurement of metastable liquid properties of Ti-Al-Zr alloy[J]. Review of Materials Research, 2025 , 1 (1) : 100004 - . DOI: 10.1016/j.revmat.2025.100004
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  • National Natural Science Foundation of China(52225406; 52073232; 52088101)
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Article Info
doi: 10.1016/j.revmat.2025.100004
  • Receive Date：2025-03-21
  • Online Date：2026-06-10
  • Published：2025-04-03
Article Data
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History
  • Received：2025-03-21
  • Revised：2025-04-01
  • Accepted：2025-04-01
Funding
National Natural Science Foundation of China(52225406; 52073232; 52088101)
Affiliations
    MOE Key Laboratory of Materials Physics and Chemistry under Extraordinary Conditions, Northwestern Polytechnical University, Xi'an, 710072, China

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* E-mail address: (Y. Ruan).
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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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