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<p>Due to the rapid temperature variation and limited spatial scale, it is challenging to experimentally investigate the transient evolution of the microstructure during the laser cladding process. To reveal the atomic-level properties of the cladding layer in small regions during the forming process, this study employs the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) to simulate the atomic melting and solidification of the cladding layer. The effect of temperature gradient on the micro-solidification path of the cladding layer has been revealed. The research results show that the temperature gradient formed from top to bottom during the deposition process significantly affect the solidification path of the microstructure. The upper region completely melts and rapidly solidifies, presenting a structure dominated by the face-centered cubic (FCC) structure, while the partially melted area at the bottom directly evolves from the initial crystal structure and eventually forms a crystal structure dominated by the face-centered cubic structure. Furthermore, the atomic ordering is found to increase systematically as the temperature decreases.</p>

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Molecular dynamics and multi-scale analysis during laser cladding of Fe60 powder on ASTM 1045

  • 期刊论文

  • 发表日期：

    2025年11月5日

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  • Yichang Sun,
  • Yuqi Zhao,
  • Hang Shang,
  • Tianye Bai,
  • Yan Zhao,
  • Lei Fei,
  • Jinhua Ding,
  • Meng Sun

摘要

Due to the rapid temperature variation and limited spatial scale, it is challenging to experimentally investigate the transient evolution of the microstructure during the laser cladding process. To reveal the atomic-level properties of the cladding layer in small regions during the forming process, this study employs the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) to simulate the atomic melting and solidification of the cladding layer. The effect of temperature gradient on the micro-solidification path of the cladding layer has been revealed. The research results show that the temperature gradient formed from top to bottom during the deposition process significantly affect the solidification path of the microstructure. The upper region completely melts and rapidly solidifies, presenting a structure dominated by the face-centered cubic (FCC) structure, while the partially melted area at the bottom directly evolves from the initial crystal structure and eventually forms a crystal structure dominated by the face-centered cubic structure. Furthermore, the atomic ordering is found to increase systematically as the temperature decreases.