首页|Cerium oxide inclusion nucleation mechanism based on classical nucleation theory and two-step nucleation

Cerium oxide inclusion nucleation mechanism based on classical nucleation theory and two-step nucleation

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It is challenging to assess the mechanism responsible for the nucleation of inclusions in metals at high temperatures.The present work therefore systematically investigates the nucleation of cerium oxide inclusions according to classical nucleation theory and a two-step nucleation mechanism.The nucleation rates and nucleation radii of these inclusions are obtained,and the results demonstrate a considerable difference between theoretical and experimental values.On the basis of a two-step nucleation mecha-nism,(CeO2)n and(Ce2O3)n(n=1-6)clusters were constructed and the thermodynamic properties of both these clusters and of cerium oxide nanoparticles were analyzed.In addition,the entropies and heat capacity changes of cerium oxides were determined using first principles calculations and are found to be consistent with literature data.The present data indicate that the cerium oxide inclusion nucleation pathway can be summarized as[Ce]+[O]→(CeO2)n/(Ce2O3)n →(Ce2O3)n →(Ce2O3)2 → core(Ce2O3 crystal)-shell((Ce2O3)2 cluster)nanoparticles →(Ce2O3)bulk.

Cerium oxide inclusionClassical nucleation theoryTwo-step nucleation mechanismFirst principlesRare earths

Yutang Li、Jun Wang、Linzhu Wang、Chaoyi Chen、Shufeng Yang、Junqi Li、Xiang Li

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School of Materials and Metallurgy,Guizhou University,Guiyang,550025,China

State Key Laboratory of Public Big Data,Guizhou University,Guiyang,550025,China

School of Metallurgical and Ecological Engineering,University of Science and Technology Beijing,Beijing,100083,China

Department of Materials & Metallurgy Engineering,Guizhou Institute of Technology,Guiyang,550003,China

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国家自然科学基金国家自然科学基金Science and Technology Planning Project of GuizhouScience and Technology Planning Project of GuizhouScience and Technology Planning Project of Guizhou

5206401152274331Qian Ke He Ji Chu ZK[2021]258Qian Ke He Chengguo[2022]089Qian Ke He Chengguo20211086

2024

10.1016/j.jre.2023.03.020

稀土学报(英文版)
中国稀土学会

稀土学报(英文版)

CSTPCDEI
影响因子：1.3
ISSN：1002-0721
年,卷(期)：2024.42(4)
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