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- Cesar Capillas, Eli Kroumova, Mois I. Aroyo, J. Manuel Perez-Mato, Harold T. Stokes, Dorian M. Hatch
- 2003

- D R Trinkle, R G Hennig, S G Srinivasan, D M Hatch, M D Jones, H T Stokes +2 others
- 2003

We propose a new direct mechanism for the pressure driven ! ! martensitic transformation in pure titanium. A systematic algorithm enumerates all possible pathways whose energy barriers are evaluated. A new, homogeneous pathway emerges with a barrier at least 4 times lower than other pathways. The pathway is shown to be favorable in any nucleation model.… (More)

We have theoretically investigated the mechanism of the pressure-induced reconstructive zinc-blende to rocksalt phase transition in SiC. We obtained 925 possible transition pathways ͑TPs͒ using a group-theoretical analysis method. This extensive survey of possible TPs is a significant feature which distinguishes this study from previous studies. Of these… (More)

Martensitic phase transitions appear in a diverse range of natural and engineering material systems. Examination of the energetics and kinetics of the transformation requires an understanding of the atomic mechanism for the transformation. A systematic pathway generation and sorting algorithm is presented and applied to the problem of the titanium ␣ to … (More)

Three possible mechanisms for the reconstructive phase transition from the B1 to the B2 structure types are examined: ͑1͒ a modified Buerger ͑MB͒ pathway, ͑2͒ the Watanabe ͑W͒ pathway, and ͑3͒ a new pathway ͑T͒ proposed by Tolédano et al. ͓Phys. Rev. B 67, 144106 ͑2003͔͒. We use first-principles energy calculations to obtain barrier heights for these… (More)

- D M Hatch, T Lookman, A Saxena, H T Stokes
- 2001

A variety of structural transitions in nature do not involve a group-subgroup relationship. A two-dimensional example is the transition between a square lattice and a triangular lattice, which is known to occur in vortex lattices, Wigner crystals, skyrmion lattices, colloids, diblock copolymers, etc. A three-dimensional analog is the shock-induced BCC to… (More)

We have classified continuous phase transitions in physical systems where the order parameter transforms as a six-dimensional representation of a space group. The Landau potential is minimized with the use of Kim's geometrical method and a table of isotropy subgroups recently obtained by Stokes and Hatch. For most images of the active six-dimensional… (More)

- Dorian M Hatch, Harold T Stokes, K S Aleksandrov, S V Misyul
- 2011

A comparison is made of two different approaches to the description of phase transitions in the A2BX4 structure (space group D4&, I4/mmm) due to rigid octahedral tiltings. The lower-symmetry subgroups due to coupling of the K»f (X2) and E&2~ (P4) representations (6 tilts) to other tilting modes are listed. All observed transitions in the A2BX4 structure are… (More)

- Dorian M Hatch, Harold T Stokes, Rand M Putnam
- 2011

Two tables are presented which result from the symmetry analysis of the microstructure, i.e. , atomic site locations, for a system with space-group symmetry R 3c (D 3d). The first table contains information about transition order parameters. Representations, allowed subgroup symmetries, Landau and Lifshitz frequencies, changes in primitive-cell size,… (More)