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Abstract <p>This study employed molecular dynamics (MD) simulations to investigate the compressive properties of Al–graphene nanolaminated composites under varying strain rates. The results demonstrate that graphene layers significantly enhance both the strength and Young's modulus of the composite, effectively impeding dislocation propagation. With increasing strain rate, the material exhibited elevated dislocation density and improved compressive strength, reaching maximum values at a high strain rate of 5 × 10<sup>10</sup>&#xa0;s<sup>−1</sup>. The predominant deformation mechanism involved 1/2<InlineEquation ID="IEq56"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="10853_2025_11564_Article_IEq56.gif" Format="GIF" Height="19" Rendition="HTML" Resolution="72" Type="Linedraw" Width="43" /> </InlineMediaObject> <EquationSource Format="TEX">\(\left\langle {110} \right\rangle\)</EquationSource> <EquationSource Format="MATHML"><math> <mfenced close="〉" open="〈"> <mn>110</mn> </mfenced> </math></EquationSource> </InlineEquation> Shockley partial dislocations, whose proportion increased with strain rate. Notably, stacking fault tetrahedrons (SFTs) composed of stair-rod dislocations formed during deformation at 5 × 10⁸ s⁻<sup>1</sup>, SFTs serve as effective barriers to dislocation slip due to their high structural stability, thereby inducing localized plastic deformation in the material.</p> Graphical Abstract <p></p>

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Atomistic insights into high-rate compression mechanics of Al–graphene composites

  • 期刊论文

  • 发表日期：

    2025年9月29日

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  • Qing Yu,
  • Shanming Fan,
  • Mingjun Peng,
  • Xianyin Ning,
  • Mengnie Li

摘要

Abstract

This study employed molecular dynamics (MD) simulations to investigate the compressive properties of Al–graphene nanolaminated composites under varying strain rates. The results demonstrate that graphene layers significantly enhance both the strength and Young's modulus of the composite, effectively impeding dislocation propagation. With increasing strain rate, the material exhibited elevated dislocation density and improved compressive strength, reaching maximum values at a high strain rate of 5 × 1010 s−1. The predominant deformation mechanism involved 1/2 \(\left\langle {110} \right\rangle\) 110 Shockley partial dislocations, whose proportion increased with strain rate. Notably, stacking fault tetrahedrons (SFTs) composed of stair-rod dislocations formed during deformation at 5 × 10⁸ s⁻1, SFTs serve as effective barriers to dislocation slip due to their high structural stability, thereby inducing localized plastic deformation in the material.

Graphical Abstract