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Fei Shuang

Delft University of Technology

SCHOLARLY PAPERS

3

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270

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Scholarly Papers (3)

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1.

From O Adsorption to Fe Oxide Growth: Benchmarking Reactive Force Fields and Universal Machine Learning Interatomic Potentials against DFT for BCC Fe Surface Oxidation

Number of pages: 22 Posted: 01 Nov 2025
Zixiong Wei, Fei Shuang and Poulumi Dey
affiliation not provided to SSRN, Delft University of Technology and Delft University of Technology
Downloads 108 (664,543)

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Iron oxidation, Oxygen adsorption, Density functional theory, Reactive force field, Universal machine learning interatomic potential

2.

Plastic Anisotropy in Pearlite: A Molecular Dynamics Study with Insights from the Periodic Bicrystal Model

Number of pages: 17 Posted: 06 Mar 2025
Kai Liu, Fei Shuang and Marcel H.F. Sluiter
Delft University of Technology, Delft University of Technology and Delft University of Technology
Downloads 86 (777,583)

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Pearlite, Cementite decomposition, Schmid factor, Bicrystal model, molecular dynamics, Anisotropy

3.

Size-Dependent Strength Superiority in Multi-Principal Element Alloys Versus Constituent Metals: Insights from Machine Learning Potential and Embedded-Atom Model

Number of pages: 44 Posted: 16 Oct 2024
Fei Shuang, Yucheng Ji, Luca Laurenti and Poulumi Dey
Delft University of Technology, University of Science and Technology Beijing - Beijing Advanced Innovation Center for Materials Genome Engineering, Delft University of Technology and Delft University of Technology
Downloads 76 (837,727)

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Multi-principal element alloy, MoNbTaW, machine learning interatomic potential, plasticity mechanism, size effect