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<p>Additive manufacturing of aluminum alloys, particularly laser powder bed fusion (LPBF), is widely used to fabricate complex industrial components. Understanding the influence of particle size on the critical cooling rate (CCR) is essential to control metal–glass formation in Al–Mg systems. Due to limitations in experimentally investigating of solidification at the atomic scale, molecular dynamics simulations were employed. Al95Mg5 nanoparticles with varying diameters were melted and subsequently cooled under different cooling rates. The results show that increasing the particle’s diameter from 5 to 20 nm reduces the CCR from 9×<InlineEquation ID="IEq1"> <EquationSource Format="TEX">\({10}^{11}\)</EquationSource> <EquationSource Format="MATHML"><math> <msup> <mrow> <mn>10</mn> </mrow> <mn>11</mn> </msup> </math></EquationSource> </InlineEquation> to 3×<InlineEquation ID="IEq2"> <EquationSource Format="TEX">\({10}^{11}\)</EquationSource> <EquationSource Format="MATHML"><math> <msup> <mrow> <mn>10</mn> </mrow> <mn>11</mn> </msup> </math></EquationSource> </InlineEquation> K/s. Furthermore, a predictive mathematical model was developed to estimate CCR as a function of particle size. These findings provide insight into size-dependent phase transformations and support the optimization of LPBF processing conditions. Molecular dynamics (MD) simulations were performed through LAMMPS software package. Interatomic interactions in the Al-Mg system were described using an embedded atom method (EAM) potential obtained from the NIST interatomic potential repository. Data fitting and model development were carried out using the scipy.optimize module in Python. Structural analysis and visualization of the simulation results were performed through Open Visualization Tool (OVITO).</p>

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The influence of particle size on the critical cooling rate for Al–Mg metal–glass formation in laser powder bed fusion: a molecular dynamics approach

  • 期刊论文

  • 发表日期：

    2026年6月18日

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  • Narges Rahmani,
  • Milad Moradi Ganjeh,
  • Soroush Parvizi,
  • Nazanin Saeedi Saedi

摘要

Additive manufacturing of aluminum alloys, particularly laser powder bed fusion (LPBF), is widely used to fabricate complex industrial components. Understanding the influence of particle size on the critical cooling rate (CCR) is essential to control metal–glass formation in Al–Mg systems. Due to limitations in experimentally investigating of solidification at the atomic scale, molecular dynamics simulations were employed. Al95Mg5 nanoparticles with varying diameters were melted and subsequently cooled under different cooling rates. The results show that increasing the particle’s diameter from 5 to 20 nm reduces the CCR from 9× \({10}^{11}\) 10 11 to 3× \({10}^{11}\) 10 11 K/s. Furthermore, a predictive mathematical model was developed to estimate CCR as a function of particle size. These findings provide insight into size-dependent phase transformations and support the optimization of LPBF processing conditions. Molecular dynamics (MD) simulations were performed through LAMMPS software package. Interatomic interactions in the Al-Mg system were described using an embedded atom method (EAM) potential obtained from the NIST interatomic potential repository. Data fitting and model development were carried out using the scipy.optimize module in Python. Structural analysis and visualization of the simulation results were performed through Open Visualization Tool (OVITO).