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基于功函数评估金属陶瓷的界面稳定性和强度。

Evaluation of interfacial stability and strength of cermets based on work function.

机构信息

College of Materials Science and Engineering, Key Laboratory of Advanced Functional Materials, Education Ministry of China, Beijing University of Technology, Beijing 100124, China.

出版信息

Phys Chem Chem Phys. 2019 Oct 7;21(37):20706-20719. doi: 10.1039/c9cp04334a. Epub 2019 Sep 11.

Abstract

A new method based on work function to analyze the interfacial stability and strength of ceramic-metal composites was proposed in this work. The interfacial work function gradient and interfacial elastic modulus were evaluated experimentally using WC-Co and TiC-Co as the examples. It found that a stable and strongly bonded interface had a gradually changing interfacial work function, while a weak interface exhibited a steep work function changing across the interface. The spatial resolution of the experimental analysis could be down to 10 nm with a high work function sensitivity. First-principles calculations were conducted to analyze the electronic configurations across the interfaces. They revealed the potential distribution across the interfaces in the sub-nano scale. They demonstrated that the interface with a smaller interfacial work function gradient had smaller interface energy and stronger interfacial bonds, and thus the interface was more stable and stronger. The calculation disclosed the mechanism of the experimental observations of the interfacial work function. Both the experimental and theoretical studies confirmed that the interfacial work function gradient could be a measure of the interactions across the interfaces. The effectiveness of the established model was demonstrated by analyzing the stability of thin films at WC/Co interfaces. This study provides a new method to evaluate the interfacial stability and bonding strength for cermets.

摘要

本工作提出了一种基于功函数的分析陶瓷-金属复合材料界面稳定性和强度的新方法。以 WC-Co 和 TiC-Co 为例,实验评估了界面功函数梯度和界面弹性模量。研究发现,稳定且强结合的界面具有逐渐变化的界面功函数,而弱界面则表现出界面功函数的急剧变化。实验分析的空间分辨率可以达到 10nm,具有较高的功函数灵敏度。通过第一性原理计算分析了界面处的电子构型。结果揭示了亚纳米尺度界面处的电势分布。结果表明,界面功函数梯度较小的界面具有较小的界面能和较强的界面键合,因此界面更稳定、更强。该计算揭示了界面功函数实验观察结果的机制。实验和理论研究均证实,界面功函数梯度可以作为界面相互作用的度量。通过分析 WC/Co 界面处薄膜的稳定性,验证了所建立模型的有效性。该研究为评估金属陶瓷的界面稳定性和结合强度提供了一种新方法。

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