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

Sengupta, Surajit ; Rao, Madan (2003) Statistical mechanics of nucleation in solids: a kinetics driven morphological transition Physica A: Statistical Mechanics and its Applications, 318 (1-2). pp. 251-261. ISSN 0378-4371

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Official URL: http://www.sciencedirect.com/science/article/pii/S...

Related URL: http://dx.doi.org/10.1016/S0378-4371(02)01427-9

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.

Item Type:Article
Source:Copyright of this article belongs to Elsevier Science.
Keywords:Solid-solid Transitions; Phase Diagrams and Microstructures; Nucleation
ID Code:56554
Deposited On:24 Aug 2011 11:07
Last Modified:24 Aug 2011 11:07

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