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原子尺度下局部应变对钽及钽钨合金阈能的影响研究。

Atomistic Study for the Tantalum and Tantalum-Tungsten Alloy Threshold Displacement Energy under Local Strain.

机构信息

Virtual Lab Inc., 38 Wangsimni-ro, Seongdong-gu, Seoul 08826, Republic of Korea.

出版信息

Int J Mol Sci. 2023 Feb 7;24(4):3289. doi: 10.3390/ijms24043289.

DOI:10.3390/ijms24043289
PMID:36834697
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9965197/
Abstract

The threshold displacement energy (TDE) is an important measure of the extent of a material's radiation damage. In this study, we investigate the influence of hydrostatic strains on the TDE of pure tantalum (Ta) and Ta-tungsten (W) alloy with a W content ranging from 5% to 30% in 5% intervals. Ta-W alloy is commonly used in high-temperature nuclear applications. We found that the TDE decreased under tensile strain and increased under compressive strain. When Ta was alloyed with 20 at% W, the TDE increased by approximately 15 eV compared to pure Ta. The directional-strained TDE (E) appears to be more influenced by complex ⟨⟩ directions rather than soft directions, and this effect is more prominent in the alloyed structure than in the pure one. Our results suggest that radiation defect formation is enhanced by tensile strain and suppressed by compressive strain, in addition to the effects of alloying.

摘要

阈能(TDE)是衡量材料辐射损伤程度的重要指标。本研究探讨了静水压力应变对纯钽(Ta)和 Ta-钨(W)合金(W 含量以 5%为间隔分别为 5%、10%、15%、20%和 30%)TDE 的影响。Ta-W 合金常用于高温核应用。结果表明,TDE 在拉伸应变下减小,在压缩应变下增大。当 Ta 与 20 at%W 形成合金时,与纯 Ta 相比,TDE 增加了约 15 eV。各向异性应变的阈能(E)似乎更受复杂 ⟨⟩方向的影响,而不是软方向的影响,这种效应在合金结构中比在纯结构中更为明显。我们的结果表明,除了合金化的影响外,辐射缺陷的形成还受到拉伸应变的增强和压缩应变的抑制。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2f91/9965197/ee5bc7cb2aad/ijms-24-03289-g007.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2f91/9965197/f4c71d536458/ijms-24-03289-g002.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2f91/9965197/ee5bc7cb2aad/ijms-24-03289-g007.jpg

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