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Aggregation behavior and structural properties of Ti3Al nanoparticles

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Abstract

Molecular dynamic (MD) simulations were used to investigate the aggregation process of Ti3Al nanoparticles (NPs) of varying sizes. The aggregation behavior of Ti3Al NPs can be divided into four stages: stable contact, slow aggregation, fast aggregation, and uniform diffusion. A liquid bridge was formed in aggregation stage between two NPs and disappears in diffusion stage. The different shrinkage ratio reveals that rapid aggregation, melting, and completion of aggregation do not occur simultaneously. Moreover, the sintering neck is less stable for Ti3Al NPs with a radius of 50 Å due to plastic deformation, resulting in a slow aggregation phase.

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Acknowledgments

Project supported by the Guizhou Province Science and Technology Fund, China (Grant Nos. ZK [2021] 051, ZK[2023] 013), the National Natural Science Foundation of China (Grant Nos. 52262021, and 51761004), and Industry and Education Combination Innovation Platform of Intelligent Manufacturing and Graduate Joint Training Base at Guizhou University (Grant No. 2020-520000-83-01-324061).

Funding

National Natural Science Foundation of China, 52262021, Tinghong Gao,51761004, Tinghong Gao, Industry and Education Combination Innovation Platform of Intelligent Manufacturing and Graduate Joint Training Base at Guizhou University, 2020-520000-83-01-324061, Tinghong Gao, Guizhou Province Science and Technology Fund, China, ZK[2021] 051, Tinghong Gao, [2017] 5788, Tinghong Gao

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Authors and Affiliations

  1. Institute of Advanced Optoelectronic Materials and Technology of School of Big Data and Information Engineering, Guizhou University, Guiyang, 550025, China

    Tinghong Gao, Lulu Liu, Lianxin Li, Zhan Zhang, Zean Tian, Yongchao Liang & Yikun Peng

  2. College of Computer Science and Electronic Engineering, Hunan University, Changsha, 410082, China

    Zean Tian

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  1. Tinghong Gao
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  2. Lulu Liu
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  3. Lianxin Li
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  4. Zhan Zhang
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  6. Yongchao Liang
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  7. Yikun Peng
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Contributions

All authors contributed to the ideation and design of the study. The first draft of the manuscript was written by the first author and perfected by the second author, all of whom commented on the previous versions of the manuscript. For the rest of the work in this article, the contributions of all authors are equal. All authors read and approved the final manuscript.

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Correspondence to Tinghong Gao.

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Gao, T., Liu, L., Li, L. et al. Aggregation behavior and structural properties of Ti3Al nanoparticles. MRS Communications 13, 1388–1394 (2023). https://doi.org/10.1557/s43579-023-00472-w

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