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- W2736404489 abstract "Tetragonal zirconia, (t′–ZrO 2 ) a ferroelastic material, readily forms domains with domain boundaries on {011}. For example, by compressing a single crystal along [100] the formation and movement of such domain walls has been demonstrated experimentally. We have made atomistic simulations of a domain wall with a self-consistent tight-binding model which cor- rectly reproduces both the high temperature tetragonal to cubic phase transition exhibited by zirconia, and its low temperature monoclinic phase. We analyse the results of our simulation, in particular the width of the domain wall, in terms of a Landau–Ginzburg theory in which the order parameter measures the degree of tetragonality of the lattice" @default.
- W2736404489 created "2017-07-31" @default.
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- W2736404489 date "2001-12-01" @default.
- W2736404489 modified "2023-09-27" @default.
- W2736404489 title "Simulation of a grain boundary in zirconia" @default.
- W2736404489 hasPublicationYear "2001" @default.
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