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Salt particles that have dissolved in water never spontaneously come back together in solution to reform solid particles. Moreover, a gas that has expanded in a vacuum remains dispersed and never spontaneously reassembles. The unidirectional nature of these phenomena is the result of a thermodynamic state function called entropy (S). Entropy is the measure of the extent to which the energy is dispersed throughout a system, or in other words, it is proportional to the degree of disorder of a...
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Engineering atomic-level complexity in high-entropy and complex concentrated alloys.

Hyun Seok Oh1, Sang Jun Kim1, Khorgolkhuu Odbadrakh2,3

  • 1Department of Materials Science and Engineering, Seoul National University, 1 Gwanak-ro, Gwanak-gu, 08826, Seoul, Republic of Korea.

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Summary
This summary is machine-generated.

Designing new alloys is simplified with a new quantitative approach. This method uses atomic-level pressure and electronegativity to predict properties, enabling the creation of high-strength materials like NiV alloys.

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Area of Science:

  • Materials Science
  • Computational Materials Science
  • Alloy Design

Background:

  • Designing modern alloys with specific properties is challenging due to the vast compositional space.
  • The number of potential alloy combinations is practically infinite, leading to unexplored property realms.

Purpose of the Study:

  • To present a property-targeted quantitative design approach for complex concentrated alloys and high-entropy alloys.
  • To enable the identification of optimal element compositions for desired material properties at the atomic level.

Main Methods:

  • Utilizing a quantum-mechanically derived atomic-level pressure approximation.
  • Employing electronegativity difference among constituent elements to predict solid-solution strengthening.

Main Results:

  • A simple binary NiV solid solution demonstrated yield strength nearly double that of the Cantor high-entropy alloy.
  • The approach successfully identifies suitable element mixes for high solid-solution strengthening.

Conclusions:

  • This design approach effectively reduces the vast compositional space by utilizing atomic-level information.
  • General design rules are provided for creating alloys with customized properties while maintaining physical plausibility.