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Size-dependent thermal properties and sintering behaviors of silver nanoparticles: insights from molecular dynamics simulation

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Abstract

Silver nanoparticles are widely utilized in printed electronics for forming conductive lines due to their exceptional electrical conductivity, resistance to oxidation, and mechanical reliability. Molecular dynamics simulations are employed to monitor real-time sintering behavior at the atomic scale. This feat is challenging to achieve through experimental means. Thermal properties, including melting points and sintering behaviors, are theoretically characterized across a range of particle sizes (from 3 nm to 20 nm). This study analyzes the melting behavior of multi-sized silver nanoparticles and simulates the structural evolution and morphology changes during the sintering process. The simulations reveal noteworthy phenomena, such as variations in melting points, gyration radii, and mean square displacements based on different particle sizes. Additionally, an optimal sintering temperature is determined through shrinkage coefficient calculations. These simulation outcomes shed light on phenomena at the atomic level, presenting a theoretical foundation for optimizing conductive ink formulation and refining sintering conditions.

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Acknowledgements

The financial support of Key Research and Development Program of Shaanxi Province (2023-YBGY-467) and Xi’an Advanced Manufacturing Technology Project (21XJZZ0048) are acknowledged.

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Authors and Affiliations

  1. School of Materials Science and Engineering, Xi’an University of Technology, Xi’an, 710048, China

    Longchao Zhuo, Qinghao Wang, Jiacheng Sun & Zhixin Gao

  2. 3D Printing Research and Engineering Technology Center, AECC Beijing Institute of Aeronautical Materials, Beijing, 100095, China

    Bingqing Chen

  3. Shenzhen Emerycomm Co. Ltd, Shenzhen, 518100, China

    Samuel Lin

  4. School of Materials Science and Engineering, Northwestern Polytechnical University, Xi’an, 710072, China

    Zhixin Gao

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  1. Longchao Zhuo
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  2. Qinghao Wang
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  5. Samuel Lin
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  6. Zhixin Gao
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Contributions

LC Zhuo initiated the concept, spearheaded the methodology, investigation, structuring, and oversaw the project. Zhuo also took charge of composing the initial draft, revising & polishing the manuscript, and securing financial support. QH Wang, JC Sun, and BQ Chen were involved in the drafting, critiquing, and refinement of the manuscript. S Lin and ZX Gao engaged in the manuscript’s critique and enhancement process.

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Correspondence to Longchao Zhuo, Bingqing Chen or Samuel Lin.

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Zhuo, L., Wang, Q., Sun, J. et al. Size-dependent thermal properties and sintering behaviors of silver nanoparticles: insights from molecular dynamics simulation. Appl. Phys. A 130, 394 (2024). https://doi.org/10.1007/s00339-024-07552-1

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