Journal article
Lithium concentration dependent structure and mechanics of amorphous silicon
Journal of Applied Physics, Vol.119(24), pp.1-6
2016
Abstract
A better understanding of lithium-silicon alloying mechanisms and associated mechanical behavior is essential for the design of Si-based electrodes for Li-ion batteries. Unfortunately, the relationship between the dynamic mechanical response and microstructure evolution during lithiation and delithiation has not been well understood. We use molecular dynamic simulations to investigate lithiated amorphous silicon with a focus to the evolution of its microstructure, phase composition, and stress generation. The results show that the formation of LixSi alloy phase is via different mechanisms, depending on Li concentration. In these alloy phases, the increase in Li concentration results in reduction of modulus of elasticity and fracture strength but increase in ductility in tension. For a LixSi system with uniform Li distribution, volume change induced stress is well below the fracture strength in tension.
Details
- Title
- Lithium concentration dependent structure and mechanics of amorphous silicon
- Authors
- H. S. Sitinamaluwa (Author) - Queensland University of TechnologyM. C. Wang (Author) - Queensland University of TechnologyG. Will (Author) - Queensland University of TechnologyW. Senadeera (Author) - Queensland University of TechnologyS. Zhang (Author) - Griffith UniversityC. Yan (Corresponding Author) - Queensland University of Technology
- Publication details
- Journal of Applied Physics, Vol.119(24), pp.1-6
- Publisher
- AIP Publishing LLC
- DOI
- 10.1063/1.4954683
- ISSN
- 1089-7550
- Grant note
- Australian Research Council DP150101717
- Organisation Unit
- School of Science, Technology and Engineering
- Language
- English
- Record Identifier
- 99737994602621
- Output Type
- Journal article
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- Domestic collaboration
- Web Of Science research areas
- Physics, Applied
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