Formation of single-phased B2 multi-principal element intermetallics: From experiments to modeling

IF 5.3 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Scripta Materialia Pub Date : 2024-10-30 DOI:10.1016/j.scriptamat.2024.116437
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Abstract

In this study, a variety of Co-Ni-Ti-Zr alloys with various compositions were examined to identify potential single-phase B2 intermetallics. While classical theoretical models suggested that most compositions would present multiple phases or even amorphous phases, the equiatomic CoNiTiZr alloy revealed a stable single-phased B2 structure even under extended annealing at temperatures approaching its melting point. Notably, this alloy showcased desirable properties, such as a strong Elinvar effect and a high elastic strain limit. To aid in the design of B2 multi-principal elemental intermetallics (MPEIs), we proposed a pseudo-binary system model that counts for both chemical long-range order across two sublattices and random atom mixing within each sublattice. The outcome of this study is expected to accelerate the identification of valuable B2 MPEIs.

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单相 B2 多主元素金属间化合物的形成:从实验到建模
在这项研究中,对各种成分的 Co-Ni-Ti-Zr 合金进行了研究,以确定潜在的单相 B2 金属间化合物。经典理论模型表明,大多数成分会呈现多相甚至无定形相,而等原子钴镍钛锌合金却显示出稳定的单相 B2 结构,即使在接近熔点的温度下延长退火时间也是如此。值得注意的是,这种合金显示出了理想的特性,如强烈的埃林瓦效应和高弹性应变极限。为了帮助设计 B2 多主元素金属间化合物(MPEIs),我们提出了一个伪二元系统模型,该模型既考虑了两个亚晶格之间的化学长程有序性,也考虑了每个亚晶格内的随机原子混合。这项研究的成果有望加速鉴定有价值的 B2 MPEIs。
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来源期刊
Scripta Materialia
Scripta Materialia 工程技术-材料科学:综合
CiteScore
11.40
自引率
5.00%
发文量
581
审稿时长
34 days
期刊介绍: Scripta Materialia is a LETTERS journal of Acta Materialia, providing a forum for the rapid publication of short communications on the relationship between the structure and the properties of inorganic materials. The emphasis is on originality rather than incremental research. Short reports on the development of materials with novel or substantially improved properties are also welcomed. Emphasis is on either the functional or mechanical behavior of metals, ceramics and semiconductors at all length scales.
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