Theoretical investigation of beta-omega phase transformation mechanism in Ti-Mo alloys
Theoretical investigation of beta-omega phase transformation mechanism in Ti-Mo alloys
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Ti-Mo合金β-omega相变机制的理论研究
DOI：
10.1016/j.commatsci.2019.109277
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发表时间：
2020
影响因子：
3.3
通讯作者：
ong
中科院分区：
文献类型：
--
作者：
Cao Peiyu;Tian Fuyang;Wang Y;ong
亚稳态ω相对β ti - mo合金的性能有重要影响。为了控制ω相的出现，有必要了解ω相的形成过程与Mo含量的关系。在本研究中，我们采用初始化精确马芬-锡轨道法结合相干势近似研究了Ti1−xMox（x= 0 ~ 0.2）固溶体合金中β到ω相变的过程。结果表明，存在阻碍β - ω自发相变的能量势垒。总能势垒来源于晶格坍缩和晶格变形。与晶格塌缩效应对能垒的影响相比，晶格变形效应引起的相干应变能几乎可以忽略。
The metastableωphase has an important effect on the properties ofβTi-Mo alloys. In order to control the appearance ofωphase, it is essential to understand the formation process ofωphase as a function of the Mo content. In the present study, we use theab initioexact muffin-tin orbitals method in combination with the coherent potential approximation to investigate the process ofβtoωphase transformation in Ti1−xMox(x= 0 ~ 0.2) solid-solution alloys. Results indicated that there exists an energy barrier hindering the spontaneousβtoωphase transformation. The total energy barrier derives from the lattice collapse and the lattice deformation. Compared with the lattice collapse effect on the energy barrier, the coherency strain energy caused by lattice deformation effect can be almost ignored.