Rev.Adv.Mater.Sci. (RAMS)
No 1/2, Vol. 47, 2016, pages 86-94

MOLECULAR DYNAMICS FOR INVESTIGATION OF MARTENSITIC TRANSFORMATIONS

J.A. Baimova, R.I. Babicheva, A.V. Lukyanov, V.G. Pushin, D.V. Gunderov and S.V. Dmitriev

Abstract

Present review is devoted to the application of the molecular dynamics (MD) method to the investigation of the mechanisms of martensitic transformations in shape-memory alloys. It is demonstrated that application of simple pair potentials in frames of two-dimensional modeling can shed light on various processes occurring in nanocrystals undergoing martensitic phase transitions. After a brief overview of the MD method and introduction of the two-dimensional models based on the pairwise Lennard-Jones and Morse potentials, recent developments in the study of the peculiarities of martensitic transformations (thermodynamics, kinetics, structure, morphology, etc.) are discussed.

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