Monte Carlo simulations of vector pseudospins for strains: Microstructures and martensitic conversion times

Abstract

We present systematic temperature-quench Monte Carlo simulations on discrete-strain pseudospin model Hamiltonians to study microstructural evolutions in ferroelastic transitions with two-component vector order parameters (NOP=2) in 2-spatial dimensions. The zero value pseudospin is the single high-temperature phase while the low-temperature phase has Nv variants. Thus the number of nonzero values of pseudospin are triangle-to-centered rectangle (Nv=3), square-to-oblique (Nv=4) and triangle-to-oblique (Nv=6). The model Hamiltonians contain a transition-specific Landau energy term, a domain wall cost or Ginzburg term, and power-law anisotropic interaction potential, induced from a strain compatibility condition. On quenching below a transition temperature, we find behaviour similar to the previously studied square-to-rectangle transition (NOP=1,Nv=2), showing that the rich behaviour found, is generic. Thus we find for two-component order parameters that the same Hamiltonian can describe both athermal and isothermal martensite regimes for different material parameters. The athermal/isothermal/austenite parameter regimes and temperature–time–transformation diagrams are understood, as previously, through parametrization of effective-droplet energies. In the athermal regime, we find rapid conversions below a spinodal-like temperature and austenite-martensite conversion delays above it, as in the experiment. The delays show early incubation behaviour, and at the transition to austenite the delay times have Vogel–Fulcher divergences and are insensitive to Hamiltonian energy scales, suggesting that entropy barriers are dominant. Systematic temperature quench experiments can look for martensite formation and growth during conversion-incubations, divergences, and distributions close to the transition.