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Bulk and Thin Film Synthesis of Compositionally Variant Entropy-stabilized Oxides

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Published on: May 29, 2018

Developing High-Performance Ceramics from Multicomponent Grain Boundary Entropy Design.

Meiqi Han^1,2, Pei Ren¹, Mu Zhang^1,2

¹Key Laboratory for Anisotropy and Texture of Materials, School of Material Science and Engineering, Northeastern University, Shenyang, 110819, China.

Small (Weinheim an Der Bergstrasse, Germany)

|October 18, 2024

Summary

This summary is machine-generated.

A new Multicomponent Grain Boundary Entropy (MGBE) descriptor predicts ceramic performance. High MGBE additives create high-performance ceramics by minimizing glassy phases and defects.

Keywords:

Si3N4 entropy fluoride sintering additives grain boundary phase microstructure

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Area of Science:

Materials Science
Ceramics Engineering
Computational Materials Science

Background:

Grain boundary (GB) glassy phases negatively impact ceramic properties.
Controlling GB phase composition is crucial for high-performance ceramics.

Purpose of the Study:

To introduce a Multicomponent Grain Boundary Entropy (MGBE) descriptor for evaluating high-entropy GB phases.
To correlate MGBE with microstructural features and ceramic performance.
To enable rapid screening of sintering additives for rational ceramic design.

Main Methods:

High-throughput first-principle calculations to extract the MGBE descriptor.
Modeling of Si3N4 ceramic systems with various multicomponent sintering additives.
Analysis of GB phase crystallinity, element segregation, and pore formation.

Main Results:

MGBE directly correlates with GB phase crystallinity, element segregation, and pore formation.
Highest MGBE additive combination (MgO-Y2O3-Er2O3-Yb2O3) yielded homogenous microstructure and pure GB phase.
Low MGBE additives resulted in significant glassy phase, segregation, and pore clusters.

Conclusions:

The MGBE descriptor effectively captures the nature of high-entropy GB phases.
MGBE enables rapid screening of multicomponent sintering additives.
This approach offers a novel pathway for designing high-performance ceramics with tailored microstructures.