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Martensitic transformations in 2D Lennard-Jones crystals

Research output: Contribution to conferenceOther

Original languageEnglish
Number of pages5
Publication statusPublished - 2009


We present molecular dynamics (MD) simulations of a temperature-induced martensitic phase transformation in 2D Lennard-Jones crystals. The model material exhibits martensitic transformations between cubic and hexagonal lattice structures which represent austenite and martensite. By careful choice of the model parameters, the model austenite can be stabilised entropically at elevated temperatures, while below a critical transformation temperature the nucleation and growth of martensite is observed in MD simulations. The determination of the interaction parameters allowing such behaviour is rationalised by harmonic analysis. The hexagonal model martensite is formed by a shearand-shuffle type of transformation; four variants can be identified. Martensitic plate growth is observed in MD simulations which produces finite-sized twin laminates. MD simulations allow the studies of the kinematic and dynamic aspects of the formation of martensitic microstructure in some detail.

    Research areas

  • Lennard-Jones crystal, Martensitic transformation, Molecular dynamics simulations

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