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Molecular dynamics simulation methods and applications in nanoscale interfacial failure analysis

2015年04月06日 16:47  点击:[]

This project will use molecular dynamics simulations to investigate nanometer-scale interfacial mechanical behavior and interfacial failure and fracture mechanisms, and to formulate relevant nanomechanics models. Main topics include: Development of embedded atoms method-based molecular dynamics simulation techniques for two-phase and multi-phase materials; study of the definition and extension of continuum mechanics concepts at small length scales; and simulation (using molecular dynamics) of nanometer-scale interfacial mechanical behavior and interfacial failure and fracture phenomena. Results of this project will have important implications for the understanding of small-scale interfacial mechanical behavior and interfacial failure and fracture problems, and also will have significance for pushing forward the development of scientific research in other relevant fields.

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