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<p>In this study, molecular dynamics (MD) simulations are employed to look into the effect of perforation, layering and temperature on the elastic and tensile strength of <i>h</i>-BN sheet embedded nanocomposite. Copper (Cu) is considered a metal matrix material. The MD approach is employed to execute the nano-scale modelling of the <i>h</i>-BN -embedded Cu nanocomposite. Distinct nanoscale representative Unit Cells (RUCs) have been studied to estimate the elastic and strength properties of <i>h</i>-BN - embedded Cu nanocomposite subjected to tensile loading conditions. A comparison is also made between the stress–strain behaviour of graphene sheet (GS)-Cu and <i>h</i>-BN-Cu nanocomposites. <i>h</i>-BN-embedded Cu nanocomposites are found to be more ductile and less stiff than the GS-Cu nanocomposite. The effect of <i>h</i>-BN sheet stacking on the stress-strain behaviour of the Cu nanocomposite is apparent; nevertheless, unlike the case of graphene sheet (GS) stacking, the elastic modulus and strength of the <i>h</i>-BN-embedded Cu nanocomposite stay predominantly insensitive to the number of <i>h</i>-BN layers. The chirality of <i>h</i>-BN reasonably affects the strengthening response of the Cu nanocomposite under tensile loading conditions. The strength of the nanocomposite is found to be enhanced by 85.79% &amp; 73.86%, in armchair and zigzag directions.</p>

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A molecular dynamics simulation for mechanical properties of boron nitride nanosheet embedded copper nanocomposites

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年7月4日

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  • Vimal Kumar Pathak,
  • Ashish Kumar Srivastava,
  • Ramanpreet Singh,
  • Rajesh Kumar,
  • Kanishk Sharma

摘要

In this study, molecular dynamics (MD) simulations are employed to look into the effect of perforation, layering and temperature on the elastic and tensile strength of h-BN sheet embedded nanocomposite. Copper (Cu) is considered a metal matrix material. The MD approach is employed to execute the nano-scale modelling of the h-BN -embedded Cu nanocomposite. Distinct nanoscale representative Unit Cells (RUCs) have been studied to estimate the elastic and strength properties of h-BN - embedded Cu nanocomposite subjected to tensile loading conditions. A comparison is also made between the stress–strain behaviour of graphene sheet (GS)-Cu and h-BN-Cu nanocomposites. h-BN-embedded Cu nanocomposites are found to be more ductile and less stiff than the GS-Cu nanocomposite. The effect of h-BN sheet stacking on the stress-strain behaviour of the Cu nanocomposite is apparent; nevertheless, unlike the case of graphene sheet (GS) stacking, the elastic modulus and strength of the h-BN-embedded Cu nanocomposite stay predominantly insensitive to the number of h-BN layers. The chirality of h-BN reasonably affects the strengthening response of the Cu nanocomposite under tensile loading conditions. The strength of the nanocomposite is found to be enhanced by 85.79% & 73.86%, in armchair and zigzag directions.