21 July 2004 Multiscale continuum mechanics model for phase transformations in SMA single crystals
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This work aims to connect atomistic model with continuum theory of phase transformations in Shape memory alloys(SMA). A formulation of the Helmholtz free energy potential based on the Lennard-Jones potential has been developed. Lennard-Jones potential was used to describe the inter-atomic interactions in bi-atomic crystal of NiTi. The microscopic expressions of the instantaneous mechanical (continuum) variables of mass, momentum, internal energy and temperature have been derived in terms of the atomic variables. The developed Helmholtz thermodynamic potential is used in the context of the sharp phase front-based continuum framework proposed by Stoilov et. el.(Acta Mat. 2002) to study the micro-macro transition during the thermomechanical response of NiTi crystals. The developed model has been successfully used to predict the response of 1D single crystal system.
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Vesselin M Stoilov, Vesselin M Stoilov, Abhijit Bhattacharyya, Abhijit Bhattacharyya, "Multiscale continuum mechanics model for phase transformations in SMA single crystals", Proc. SPIE 5387, Smart Structures and Materials 2004: Active Materials: Behavior and Mechanics, (21 July 2004); doi: 10.1117/12.539589; https://doi.org/10.1117/12.539589

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