Free Energy Surfaces and Barriers for Vacancy Diffusion on Al(100), Al(110), Al(111) Reconstructed Surfaces
Abstract
:1. Introduction
2. System and Computational Aspects
3. Results and Discussion
4. Summary and Outlook
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
Nomenclature
Å | Angstrom |
CV | Collective variable |
EAM | Embedded atom method |
F(s) | Free energy surface |
MetaD | Metadynamic |
ns | Nanosecond |
RDF | Radial distribution function |
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Mokkath, J.H.; Muhammed, M.M.; Chamkha, A.J. Free Energy Surfaces and Barriers for Vacancy Diffusion on Al(100), Al(110), Al(111) Reconstructed Surfaces. Nanomaterials 2022, 12, 76. https://doi.org/10.3390/nano12010076
Mokkath JH, Muhammed MM, Chamkha AJ. Free Energy Surfaces and Barriers for Vacancy Diffusion on Al(100), Al(110), Al(111) Reconstructed Surfaces. Nanomaterials. 2022; 12(1):76. https://doi.org/10.3390/nano12010076
Chicago/Turabian StyleMokkath, Junais Habeeb, Mufasila Mumthaz Muhammed, and Ali J. Chamkha. 2022. "Free Energy Surfaces and Barriers for Vacancy Diffusion on Al(100), Al(110), Al(111) Reconstructed Surfaces" Nanomaterials 12, no. 1: 76. https://doi.org/10.3390/nano12010076