论文标题
第一原理工程超强MG-Li-Al基体重合金
Engineering ultra-strong Mg-Li-Al-based light-weight alloys from first principles
论文作者
论文摘要
轻巧合金是运输技术的重要支柱。它们还发挥了至关重要的作用，以实现更绿色和成本效益的航空航天技术。镁 - 锂铝（mg-li-al）合金是吉祥的候选物，因为它们在低密度下具有有希望的机械强度。我们在本文中提出了对基于MG-Li-AL的合金进行系统的第一原理研究，以提供设计超强轻质合金的见解。初始分析表明，MG-Li-Al混合物未被热稳定为随机固溶液。在此提示之后，研究了基于基础的立方体（BCC）基于MG，LI和AL的金属质量的热和弹性稳定性。使用三个简单的效果图来进一步评估其机械强度。最经常观察到的金属间学用于预测最近实验工作的异质结构的屈服强度。混合规则可以很好地预测从孤立的金属间学开始的复杂结构的机械性能。
Light-weight alloys are essential pillars of transportation technologies. They also play a crucial role to achieve a more green and cost-effective aerospace technologies. Magnesium-lithium-aluminum (Mg-Li-Al) alloys are auspicious candidates due to their promising mechanical strengths at low densities. We herein present a systematic first-principles investigation of the Mg-Li-Al-based alloys to provide insights for designing ultra-strong light-weight alloys. Initial analysis indicates that the Mg-Li-Al mixtures are not thermally stabilized into random-solid solutions. Following this hint, the base-centered cubic (BCC)-based intermetallics of Mg, Li and Al are investigated for their thermal and elastic stabilities.Three simple figures of merits are used to further assess their mechanical strengths. The most-frequently observed intermetallics are used to predict the yield strength of the hetero-structures from the recent experimental works. The rule of mixing works reasonable well to predict the mechanical properties of complex structures starting from isolated intermetallics.
