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<p>Grain boundary segregation (GBS) is a critical issue in high-entropy alloys (HEAs). When HEAs are only applied to the grain boundary in a single metal, it will be meaningful and cost-effective for their application in extreme environments. So, the thermodynamic properties of both the polycrystalline aluminum (Al) and Al subjected to high-entropy GBS (Al@HEA) under uniaxial tension have been explored using molecular dynamics simulations. Results show that the high-entropy GBS has a certain enhancement on the yield strength of Al. However, temperature will weaken the yield strength in both Al and Al@HEA. The lattice thermal conductivity (LTC) can be divided into the tensile load-related LTC and phase structure-related LTC. It is the mutual coupling of the stress and heat that causes the two kinds of LTCs’ competition. The maximum contribution of phase structure-related LTC to the overall LTC occurs when the proportion of the face-centered cubic structure is equal to the proportion of amorphous structure in Al and Al@HEA. The high-entropy GBS will enhance the LTC of Al because of the relatively larger proportion of phase structure transformation. However, the increase in temperature will weaken the effect of the phase structure on the overall LTC of Al and Al@HEA.</p>

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Strengthening mechanism of thermal conductivity in Al alloys driven by stress-induced phase transformation

  • 期刊论文

  • 发表日期：

    2026年3月21日

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  • Liangfei Gong,
  • Yujing Yuan,
  • Bo Li,
  • Jie Wang,
  • Ao Mei,
  • Zhiguo Wu,
  • Xiaoyong Lv

摘要

Grain boundary segregation (GBS) is a critical issue in high-entropy alloys (HEAs). When HEAs are only applied to the grain boundary in a single metal, it will be meaningful and cost-effective for their application in extreme environments. So, the thermodynamic properties of both the polycrystalline aluminum (Al) and Al subjected to high-entropy GBS (Al@HEA) under uniaxial tension have been explored using molecular dynamics simulations. Results show that the high-entropy GBS has a certain enhancement on the yield strength of Al. However, temperature will weaken the yield strength in both Al and Al@HEA. The lattice thermal conductivity (LTC) can be divided into the tensile load-related LTC and phase structure-related LTC. It is the mutual coupling of the stress and heat that causes the two kinds of LTCs’ competition. The maximum contribution of phase structure-related LTC to the overall LTC occurs when the proportion of the face-centered cubic structure is equal to the proportion of amorphous structure in Al and Al@HEA. The high-entropy GBS will enhance the LTC of Al because of the relatively larger proportion of phase structure transformation. However, the increase in temperature will weaken the effect of the phase structure on the overall LTC of Al and Al@HEA.