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多组分高熵材料中抑制互扩散动力学的结构和热力学因素。

Structural and thermodynamic factors of suppressed interdiffusion kinetics in multi-component high-entropy materials.

作者信息

Chang Shou-Yi, Li Chen-En, Huang Yi-Chung, Hsu Hsun-Feng, Yeh Jien-Wei, Lin Su-Jien

机构信息

Department of Materials Science and Engineering, National Chung Hsing University, Taichung 40227, Taiwan.

Department of Materials Science and Engineering, National Tsing Hua University, Hsinchu 30013, Taiwan.

出版信息

Sci Rep. 2014 Feb 24;4:4162. doi: 10.1038/srep04162.

Abstract

We report multi-component high-entropy materials as extraordinarily robust diffusion barriers and clarify the highly suppressed interdiffusion kinetics in the multi-component materials from structural and thermodynamic perspectives. The failures of six alloy barriers with different numbers of elements, from unitary Ti to senary TiTaCrZrAlRu, against the interdiffusion of Cu and Si were characterized, and experimental results indicated that, with more elements incorporated, the failure temperature of the barriers increased from 550 to 900°C. The activation energy of Cu diffusion through the alloy barriers was determined to increase from 110 to 163 kJ/mole. Mechanistic analyses suggest that, structurally, severe lattice distortion strains and a high packing density caused by different atom sizes, and, thermodynamically, a strengthened cohesion provide a total increase of 55 kJ/mole in the activation energy of substitutional Cu diffusion, and are believed to be the dominant factors of suppressed interdiffusion kinetics through the multi-component barrier materials.

摘要

我们报道了多组分高熵材料作为极其坚固的扩散阻挡层,并从结构和热力学角度阐明了多组分材料中高度抑制的互扩散动力学。对六种不同元素数量的合金阻挡层(从单一的Ti到六元的TiTaCrZrAlRu)抵抗Cu和Si互扩散的失效情况进行了表征,实验结果表明,随着掺入的元素增多,阻挡层的失效温度从550℃提高到900℃。确定Cu通过合金阻挡层扩散的活化能从110kJ/mol增加到163kJ/mol。机理分析表明,在结构上,不同原子尺寸导致的严重晶格畸变应变和高堆积密度,以及在热力学上,增强的内聚力使置换Cu扩散的活化能总共增加了55kJ/mol,并且被认为是通过多组分阻挡层材料抑制互扩散动力学的主要因素。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0a1e/3932478/c61a8d7b1eeb/srep04162-f1.jpg

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