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Metallic Solids

Metallic Solids

Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability. Many...

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Direct CALPHAD coupling phase-field model: Closed-form expression for interface composition satisfying equal diffusion potential condition.

Physical review. E·2024

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An explicit integration approach for predicting the microstructures of multicomponent alloys.

Takumi Morino¹, Machiko Ode², Shoichi Hirosawa³

¹Yokohama National University, Hodogayaku, Yokohama, Japan. morino-takumi-rb@ynu.jp.

Nature Communications

|July 15, 2025

Summary

This study introduces a new computational method for materials science, integrating Calculation of Phase Diagrams (CALPHAD) with phase-field models. The approach overcomes dimensionality limitations for predicting complex material microstructures in multicomponent systems.

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Last Updated: Jul 7, 2026

Indirect Fabrication of Lattice Metals with Thin Sections Using Centrifugal Casting

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Processing of Bulk Nanocrystalline Metals at the US Army Research Laboratory

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Area of Science:

Materials Science
Computational Materials Science
Thermodynamics

Background:

Predicting complex material microstructures is crucial for materials development.
Current methods integrating CALPHAD and phase-field models face computational challenges due to the curse of dimensionality in multicomponent systems.
Gibbs's work on heterogeneous systems laid the foundation for equilibrium predictions.

Purpose of the Study:

To develop a novel approach for predicting material microstructures by addressing the limitations of existing CALPHAD-coupled phase-field models.
To overcome the curse of dimensionality in multicomponent system simulations.
To enhance the efficiency and versatility of phase-field simulations.

Main Methods:

Incorporating equal diffusion potential and internal equilibrium conditions into a single explicit function within phase-field equations.
Utilizing thermodynamic principles, specifically the second law of thermodynamics.
Performing simulations on various practical materials with up to 20 components.

Main Results:

The proposed model successfully achieved equal diffusion and internal equilibrium conditions in simulations.
The approach overcame dimensionality limitations inherent in traditional implicit function methods.
Enabled accurate computations for complex systems with a high number of components (up to 20).

Conclusions:

The developed method offers a versatile and efficient solution for predicting complex material microstructures.
This approach significantly advances the capabilities of CALPHAD-coupled phase-field modeling for practical materials.
The findings support a wide range of applications in materials science and engineering.