Tailoring the Properties of (TiZrHfV)B₂ High-Entropy Diboride via Elemental Concentration: A First-Principles Approach

Nabila Tabassum; Yamini Sudha Sistla

doi:10.1039/d6ma00075d

January 1, 2026Materials AdvancesOpen Access

Tailoring the Properties of (TiZrHfV)B₂ High-Entropy Diboride via Elemental Concentration: A First-Principles Approach

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Key Points

The aim is to explore how varying elemental concentrations affects the properties of high entropy diborides for high temperature applications.
Utilized first-principles computational methods to model varying elemental concentrations in diboride compositions.
Analyzed the thermal and mechanical properties of created models to determine stability and hardness.
Conducted comparisons of heat resistance between different elemental configurations.
Identified optimal elemental concentrations that enhance heat resistance and stability.
Demonstrated improved hardness values, suggesting better performance in high temperature environments.
Revealed the relationship between composition and overall material durability.

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Implication

Demonstrates tailored thermal properties in high entropy diborides, indicating potential for structural applications.

Abstract

High entropy diboride ceramics (HEB) are prospective materials for thermal protection systems, and high temperature structural materials due to their excellent heat resistance, high temperature stability, super hardness, and wear...

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Tabassum et al. (2026) studied this question.

synapsesocial.com/papers/69c6210b15a0a509bde198d9 https://doi.org/10.1039/d6ma00075d

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Tailoring the Properties of (TiZrHfV)B₂ High-Entropy Diboride via Elemental Concentration: A First-Principles Approach

Key Points

Ask about this paper

Implication

Abstract

Discussion

Cite This Study

Tailoring the Properties of (TiZrHfV)B₂ High-Entropy Diboride via Elemental Concentration: A First-Principles Approach

Key Points

Ask about this paper

Implication

Abstract

Discussion

Cite This Study

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