Statistical mechanics of nucleation in solids: a kinetics driven morphological transition

Surajit Sengupta and Madan Rao

Physica A: Statistical Mechanics and its Applications, 2003, vol. 318, issue 1, 251-261

Abstract: We examine in detail, through extensive molecular dynamics simulations, the process of nucleation of a triangular phase in a model two-dimensional square crystal consisting of particles interacting via a pair and three-body potentials. We find that at high temperatures, the critical nucleus of the triangular phase is isotropic with local triangular order. At low temperatures, the critical nucleus consists of a twinned bicrystal which is anisotropic and breaks the symmetry of the underlying square phase. We show that this morphological transition is caused by the dynamics of non-elastic degrees of freedom, viz. interfacial defect fields. This transition is similar to that between ‘ferrite’ and ‘martensite’ as observed in real materials when a solid such as iron is cooled across a structural transition. Based on our simulation results, we arrive at a single theoretical formalism which qualitatively describes the transformation to both a ferrite and a martensite.

Keywords: Solid–solid transitions; Phase diagrams and microstructures; Nucleation (search for similar items in EconPapers)
Date: 2003
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:318:y:2003:i:1:p:251-261

DOI: 10.1016/S0378-4371(02)01427-9

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