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<p>In this paper, molecular dynamics simulation with the COMB3 potential is used to investigate the tensile and compressive properties of aluminum oxide films with different thicknesses at the interfaces between vacuum or aluminum melt. Additionally, the wrinkling behavior under compression is simulated. The results show that the elastic modulus and tensile strength of oxide films increase with thickness, approaching bulk material values of 464 and 83.75&#xa0;GPa, respectively. The presence of aluminum melt also enhances these properties, particularly at lower thicknesses. In compression experiments, the presence of molten aluminum and an increase in thickness can raise the critical strain from 9 to 31&#xa0;pct and the critical stress from 11.4 to 54.7&#xa0;GPa, significantly enhancing the film’s bending resistance. The wrinkling wavelength of aluminum oxide films increase linearly with increasing thickness, and the asymmetric structure of bilateral interfaces (with liquid aluminum on one side) further amplifies the wrinkling wavelength.</p>

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Mechanical Properties and Compression Behavior of Aluminum Oxide Films on Aluminum Melt Surfaces: A Molecular Dynamics Study

  • 期刊论文

  • 发表日期：

    2026年1月6日

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  • Hongmin Guo,
  • Jianhui Qiu,
  • Changxin Tang

摘要

In this paper, molecular dynamics simulation with the COMB3 potential is used to investigate the tensile and compressive properties of aluminum oxide films with different thicknesses at the interfaces between vacuum or aluminum melt. Additionally, the wrinkling behavior under compression is simulated. The results show that the elastic modulus and tensile strength of oxide films increase with thickness, approaching bulk material values of 464 and 83.75 GPa, respectively. The presence of aluminum melt also enhances these properties, particularly at lower thicknesses. In compression experiments, the presence of molten aluminum and an increase in thickness can raise the critical strain from 9 to 31 pct and the critical stress from 11.4 to 54.7 GPa, significantly enhancing the film’s bending resistance. The wrinkling wavelength of aluminum oxide films increase linearly with increasing thickness, and the asymmetric structure of bilateral interfaces (with liquid aluminum on one side) further amplifies the wrinkling wavelength.