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A Monte Carlo simulation of the omega phase transformation

1973/04/01 by D. de Fontaine, Otto Buck, O. Buck
Engineering · Materials Science · #Intermetallics and Advanced Alloy Properties #Nuclear Materials and Properties #Titanium Alloys Microstructure and Properties

paper · doi:10.1080/14786437308227573

crossref issued 1973/04/01 · crossref published 1973/04/01 · crossref published-print 1973/04/01 · openalex publication_date 1973/04/01 · crossref published-online 2006/09/02 · crossref created 2007/07/08 · crossref deposited 2017/06/17 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/31 · crossref indexed 2026/07/31

Abstract

A model of the β to ω phase transformation in Ti, Zr and Hf alloys is proposed whereby the three-dimensional displacive transition is decomposed into one-dimensional and two-dimensional components. The one-dimensional component is postulated to be a linear displacive defect along 〈111〉 closepacked rows of the b.c.c. structure, the two-dimensional component then consists of the cooperative ordering of neighbouring parallel linear defects in the (111) planes normal to the linear component. That the two-dimensional cooperative ordering of displaced row segments can lead to a sharp phase transition has been demonstrated by a two-dimensional Monte Carlo simulation involving three types of symbols with nearest-neighbour interactions. Computer simulation exhibits characteristic two-domain ω structures which, along with the linear defect structure, appear to explain, at least qualitatively, observed electron and neutron diffraction patterns. It is tentatively suggested that the postulated linear defects play an important role in internal friction and in anomalous diffusion in certain b.c.c. metals.

Citations