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Updated: Apr 15, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

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Research on Multiscale Characterization and Computational Modeling/Simulation of Metallic Materials

Rui Wang1, Jiaqing Li2

  • 1School of Mechanical, Materials, Mechatronic and Biomedical Engineering, University of Wollongong, Wollongong, NSW 2522, Australia.

Materials (Basel, Switzerland)
|April 14, 2026
PubMed
Summary

Metallic materials are crucial for aerospace and energy. This study explores advanced metallic material properties for enhanced performance and durability in critical applications.

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