VGU RESEARCH REPOSITORY
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https://epub.vgu.edu.vn/handle/dlibvgu/2186| Title: | Molecular dynamics simulations of nanoindentation into aluminum: influence of oxidation | Authors: | Doan Anh Kieu | Keywords: | Indentation parameters;Dislocation analysis;Aluminum oxidation | Issue Date: | 2020 | Abstract: | Aluminum is the most abundant metallic element in the Earth's crust. Due to its high affinity for oxygen, it rarely exists in a pure metallic state naturally, typically appearing with a surface layer of aluminum oxides. This research utilizes Molecular Dynamics (MD) simulations to investigate how this oxide layer influences the structural behavior of the underlying aluminum. A key methodological feature is the application of the Reactive Force Field (ReaxFF) potential, which effectively accounts for non-bonding interactions—including Van der Waals forces and Coulombic dispersive interactions—between Aluminum and Oxygen atoms. Beyond analyzing traditional mechanical properties such as hardness and dislocation density during nanoindentation, this study explores the critical role of potential energy selection in MD modeling. Further simulations involving varied potential energy formulations and indentation parameters are required to gain a comprehensive understanding of these interfacial phenomena. |
URI(1): | https://epub.vgu.edu.vn/handle/dlibvgu/2186 | Rights: | Attribution-NonCommercial 4.0 International |
| Appears in Collections: | Computational Engineering (CompEng) Computational Engineering (CompEng) |
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| File | Description | Size | Format | Existing users please Login |
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| Molecular dynamics simulations of nanoindentation into aluminum influence of oxidation.pdf | 3.61 MB | Adobe PDF |
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