Elastic investigation for the existence of B33 phase in TiNi shape memory alloys using atomistically informed Eshelby’s ellipsoidal inclusion
Elastic investigation for the existence of B33 phase in TiNi shape memory alloys using atomistically informed Eshelby’s ellipsoidal inclusion
复制标题
使用原子信息 Eshelby 椭圆体夹杂物对 TiNi 形状记忆合金中 B33 相的存在进行弹性研究
DOI：
10.1016/j.commatsci.2022.111954
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发表时间：
2023
影响因子：
3.3
通讯作者：
Ishii Akio
中科院分区：
文献类型：
--
作者：
潘 安東;邱 建輝;境 英一;趙イ;呉 浩楠;Ishii Akio
在TiNi合金中，B33相的存在是有争议的，密度泛函理论计算表明它是一种稳定相，但没有得到实验证实。利用密度泛函理论计算得到的EShelby椭球夹杂物，研究了TiNi形状记忆合金中B33相的存在。计算得到的非均匀形核B33相的总应变与B19‘相的本征应变相似，后者也是用密度泛函理论计算的。考虑到B33和B19‘的原子结构的相似性，这表明B33相被原始的B2基质弹性抑制并转变为B19’相。我们证实了B_2相和B_(33)相之间的弹性不均匀性在这一变化中起了作用。
The existence of the B33 phase in TiNi alloys, which was reported to be a stable phase using density functional theory calculations but not confirmed experimentally, is controversial. Using Eshelby’s ellipsoidal inclusion, which was atomistically informed by density functional theory calculations, we investigated the existence of the B33 phase in the TiNi shape memory alloy. The calculated total strains of the heterogeneously nucleated B33 phase were similar to the eigenstrains of the B19’ phase, which were also calculated using density functional theory calculations. Considering the similarity of the atomic structures of B33 and B19’, this indicates that the B33 phase was elastically suppressed and changed to the B19’ phase by the original B2 matrix. We confirmed that the elastic inhomogeneity between the B2 matrix and B33 phase plays a role in this change.
影响因子：
6.1
作者：
Jain, Anubhav;Shyue Ping Ong;Persson, Kristin A.
通讯作者：
Persson, Kristin A.