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高熵合金中的堆垛层错能。

Stacking fault energy in concentrated alloys.

作者信息

Shih Mulaine, Miao Jiashi, Mills Michael, Ghazisaeidi Maryam

机构信息

Materials Science and Engineering, Ohio State University, Columbus, OH, USA.

Center for Electron Microscopy and Analysis, Ohio State University, Columbus, OH, USA.

出版信息

Nat Commun. 2021 Jun 11;12(1):3590. doi: 10.1038/s41467-021-23860-z.

Abstract

We revisit the meaning of stacking fault energy (SFE) and the assumptions of equilibrium dissociation of lattice dislocations in concentrated alloys. SFE is a unique value in pure metals. However, in alloys beyond the dilute limit, SFE has a distribution of values depending on the local atomic environment. Conventionally, the equilibrium distance between partial dislocations is determined by a balance between the repulsive elastic interaction between the partial dislocations and a unique value for SFE. This assumption is used to determine SFE from experimental measurements of dislocation splitting distances in metals and alloys, often contradicting computational predictions. We use atomistic simulations in a model NiCo alloy to study the dislocation dissociation process in a range of compositions with positive, zero, and negative average SFE and surprisingly observe a stable, finite splitting distance in all cases at low temperatures. We then compute the decorrelation stress and examine the balance of forces on the partial dislocations, considering the local effects on SFE, and observe that even the upper bound of SFE distribution alone cannot satisfy the force balance in some cases. Furthermore, we show that in concentrated solid solutions, the resisting force caused by interaction of dislocations with the local solute environment becomes a major force acting on partial dislocations. Here, we show that the presence of a high solute/dislocation interaction, which is not easy to measure and neglected in experimental measurements of SFE, renders the experimental values of SFE unreliable.

摘要

我们重新审视了堆垛层错能(SFE)的含义以及浓合金中晶格位错平衡解离的假设。SFE在纯金属中是一个独特的值。然而,在超过稀溶极限的合金中,SFE的值会根据局部原子环境而分布。传统上,部分位错之间的平衡距离是由部分位错之间的排斥弹性相互作用与SFE的一个唯一值之间的平衡来确定的。这个假设被用于从金属和合金中位错分裂距离的实验测量中确定SFE,这常常与计算预测相矛盾。我们在一个模型NiCo合金中使用原子模拟来研究一系列具有正、零和负平均SFE的成分中的位错解离过程,令人惊讶地发现在低温下所有情况下都存在稳定的、有限的分裂距离。然后我们计算去相关应力并检查部分位错上的力平衡,考虑对SFE的局部影响,并且观察到即使仅SFE分布的上限在某些情况下也不能满足力平衡。此外,我们表明在浓固溶体中,位错与局部溶质环境相互作用产生的阻力成为作用在部分位错上的主要力。在这里,我们表明溶质/位错相互作用很强,这种相互作用在SFE的实验测量中不易测量且被忽略,这使得SFE的实验值不可靠。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/945c/8196205/3e5c487f5431/41467_2021_23860_Fig1_HTML.jpg

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