Different Connection Models of Icosahedral Structures in TiAl Alloy Caused by the Cooling Rates,Physica Status Solidi (B) - Basic Solid State Physics

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Different Connection Models of Icosahedral Structures in TiAl Alloy Caused by the Cooling Rates
Physica Status Solidi (B) - Basic Solid State Physics ( IF 1.5 ) Pub Date : 2021-09-24 , DOI: 10.1002/pssb.202100083
Zhen Liu ₁ , Lianxin Li ₁ , Tinghong Gao ₁ , Quan Xie ₁ , Qian Chen ₁ , Yongchao Liang ₁ , Zean Tian ₁ , Bei Wang ₁

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High-quality TiAl alloy is used to fabricate aerospace equipment with excellent mechanical properties because of its interesting properties, including low density, high specific yield strength, and better corrosion resistance. However, the fabrication of high-quality TiAl alloy is challenging because the connection mechanism between different types of clusters in TiAl alloy during the rapid cooling process is not clear. This study uses molecular dynamics (MD) simulation methods to study the connection models of icosahedral (ICO) structures and other defective ICO structures at different cooling rates. The ICO structures represent the short-range ordered structure in the system. Moreover, the complex connections between the ICO and its defective structures constitute the basic structural features of TiAl metallic glass. The results show that the connections between ICO and its defective structures differ significantly with the cooling rate. It is easier to form a more complex nanostructure connected by the ICO structures with higher proportion of Al central atoms at the lower cooling rate. As the temperature drops at the same rate, the number of Al central atoms with smaller atomic radius in the icosahedrons increases gradually, giving them an absolute advantage.

中文翻译：

TiAl合金二十面体结构由冷却速率引起的不同连接模型

高质量的 TiAl 合金因其密度低、比屈服强度高和耐腐蚀性能好等特性而被用于制造具有优异机械性能的航空航天设备。然而，由于在快速冷却过程中 TiAl 合金中不同类型团簇之间的连接机制尚不清楚，因此制造高质量的 TiAl 合金具有挑战性。本研究采用分子动力学 (MD) 模拟方法，研究了不同冷却速率下二十面体 (ICO) 结构和其他缺陷 ICO 结构的连接模型。ICO 结构代表系统中的短程有序结构。此外，ICO与其缺陷结构之间的复杂连接构成了TiAl金属玻璃的基本结构特征。结果表明，ICO与其缺陷结构之间的连接随冷却速率显着不同。在较低的冷却速率下，更容易形成由具有较高比例的 Al 中心原子的 ICO 结构连接的更复杂的纳米结构。随着温度以相同的速度下降，二十面体中原子半径较小的Al中心原子的数量逐渐增加，使其具有绝对优势。

更新日期：2021-09-24

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