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- Title
Atomistic modelling of deformation and failure mechanisms in nanostructured materials.
- Authors
Xiaoyan Li; Huajian Gao
- Abstract
The article discusses aspects of nanostructured materials (NM) and presents a research on its atomistic modelling of deformation and failure mechanisms. It shows a schematic illustration of two typical atomistic modelling strategies, the so-called ab initio molecular dynamics (AIMD) and classical molecular dynamics (CMD) simulations. It reports atomistic modelling will bridge the gap between MD simulations and experiments and will help in designing nanostructured materials via computation.
- Subjects
NANOSTRUCTURED materials; NANOSTRUCTURES; COMPUTER simulation of microstructure; MOLECULAR dynamics; MOLECULAR structure of nanostructured materials; NANOSTRUCTURED materials testing; MATHEMATICAL models
- Publication
National Science Review, 2015, Vol 2, Issue 2, p133
- ISSN
2095-5138
- Publication type
Article
- DOI
10.1093/nsr/nwu049