Heating-rate and size-dependent melting, structural disorder, and diffusion in Au-Cu alloys: a comprehensive molecular dynamics study

Dung Van Mai

doi:10.1039/d5cp04851f

January 1, 2026Physical Chemistry Chemical Physics

Heating-rate and size-dependent melting, structural disorder, and diffusion in Au-Cu alloys: a comprehensive molecular dynamics study

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Key Points

The research aims to explore how heating rates and particle sizes influence the melting, structural disorder, and diffusion in Au-Cu alloys.
Conducted large scale molecular dynamics simulations
Validated results with embedded atom method
Analyzed phase transitions and structural changes
Observed size-dependent variations in melting temperatures
Identified increased atomic mobility with higher heating rates
Noted significant structural disorder during phase transitions

Implication

This systematic study evaluates atomic mobility and phase transitions in Au-Cu alloys, indicating diverse behaviors depending on heating rate and size.

Abstract

In this work, we present a systematic investigation of the structural evolution, phase transitions, and atomic mobility in equiatomic Au-Cu alloys using large scale molecular dynamics simulations with validated embedded...

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Cite This Study

Dung Van Mai (2026) studied this question.

synapsesocial.com/papers/699e912ef5123be5ed04e804 https://doi.org/10.1039/d5cp04851f

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Heating-rate and size-dependent melting, structural disorder, and diffusion in Au-Cu alloys: a comprehensive molecular dynamics study

Key Points

Implication

Abstract

Discussion

Cite This Study

Heating-rate and size-dependent melting, structural disorder, and diffusion in Au-Cu alloys: a comprehensive molecular dynamics study

Key Points

Implication

Abstract

Discussion

Cite This Study

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