期刊
RESULTS IN PHYSICS
卷 50, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.rinp.2023.106582
关键词
MgSc alloy; Martensitic phase; Chemical ordering; Mechanical property
The chemical ordering and its effect on structure and elastic properties of Mg1-xScx alloys are studied using the ab initio method. The MgSc alloys exhibit a strong tendency for chemical long-range ordering as the Sc concentration increases. The presence of chemical long-range ordering leads to a lattice distortion and the formation of a low symmetric orthorhombic martensitic phase in MgSc alloys, indicating a chemical-structural coupling. The chemical long-range ordering also significantly increases the elastic moduli of the alloys.
The chemical ordering and its effect on structure and elastic properties of Mg1-xScx alloys are studied by ab initio method. The MgSc alloys show strong chemical long range ordering tendency as the Sc concentration increase. The predicted martensitic phase of fully disordered alloy is hcp when the transformation occurs through the Burgers path. Chemical long range ordering could lead to a lattice distortion and results in a low symmetric orthorhombic martensitic phase, namely, there is a chemical-structural coupling in MgSc alloys. The chemical long range ordering also has strong hardening effect, the single crystalline elastic moduli C & PRIME;, C44, Young's modulus and Shear modulus are increased by 12.6%, 4.2%, 4.4% and 5% for Mg80Sc20 alloy, respectively. Electronic structure analysis showed that the additional s-d and p-d hybridization between near neighboring Mg and Sc ions in ordered phase is accounting for the elastic hardening and chemical-structural coupling in MgSc alloys.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据