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Twinning hierarchy, shape memory, and superelasticity demonstrated by molecular dynamics

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Original languageEnglish
Article number144113
Pages (from-to)-
Number of pages7
JournalPhysical Review B: Condensed Matter and Materials Physics
Volume84
Issue number14
DOIs
StatePublished - 18 Oct 2011

Abstract

A martensitic phase transition exhibiting shape memory, transformation-induced plasticity, or superelasticity typically involves a transformation between a high temperature, high symmetry phase and a low temperature, low symmetry phase. There have been numerous attempts using molecular dynamics to simulate the shape memory behavior, where the memory is stored in a twinned martensite and deformation occurs by motion of twin boundaries. However, the 3D case has always proved elusive, because suitable interatomic potentials to produce a unique low temperature phase are difficult to obtain. Here we present a study in which the binary Morse potential is tuned specifically to maximize the difference between L1(0) and B19 (Strukturbericht notation, spacegroups P4/mmm and Pmma) structures. The twinned structure of martensite has been induced by gradually cooling the sample below the transition temperature. A bar-shaped sample was plastically deformed in the martensite phase, and on reheating above the transition temperature the initial shape was recovered. The effect of the shear-induced phase transition on the nanostructure of resulting martensite has also been investigated. An unusual discovery is that of a hierarchy of twins: nanotwins accommodate the mismatch between austenite and martensite at the habit plane, while dynamically created macrotwins are responsible for the deformation behavior and shape memory.

    Research areas

  • MARTENSITIC PHASE-TRANSFORMATIONS, CRYSTAL-STRUCTURE, NIAL ALLOY, SIMULATION, TRANSITION, ZIRCONIUM, MICROSTRUCTURE, POTENTIALS, AUSTENITE, STABILITY

ID: 1276290