Print Email Facebook Twitter Molecular dynamics simulations of phase transformations in niti bicrystals Title Molecular dynamics simulations of phase transformations in niti bicrystals Author Srinivasan, P. (TU Delft Applied Mechanics) Nicola, L. (TU Delft (OLD) MSE-7) Simone, A. (TU Delft Applied Mechanics) Contributor Floryan, J.M. (editor) Tvergaard, V. (editor) van Campen, D. (editor) Date 2016 Abstract The influence of grain boundaries and grain misorientation on the nucleation and growth of martensite in an equi-atomic nickeltitanium (NiTi) shape memory alloy (SMA) is investigated by performing molecular dynamics (MD) simulations on bicrystals with a modified embedded atom method (MEAM) interatomic potential. Stress-induced martensitic transformations are simulated in bicrystals with mixed grain boundaries and the behavior of the bicrystal is compared to that of individual single crystals. Here, a particular bicrystal with < 110 > and < 111 > oriented austenite grains is chosen as an example. Results indicate that the mixed grain boundary in the austenite bicrystal acts as a nucleation site for stress-induced martensitic transformation in the grains. The deformation behavior and the transformation strain of the bicrystal fall in between those of the two corresponding single crystals. To reference this document use: http://resolver.tudelft.nl/uuid:8a43a087-3100-4c52-895b-2c022ebd0541 Source Proceedings of the 24th International Congress of Theoretical and Applied Mechanics: 21-26 August 2016, Montreal, Canada Event 24th International Congress of Theoretical and Applied Mechanics (ICTAM), 2016-08-21 → 2016-08-26, Montreal, Canada Part of collection Institutional Repository Document type conference paper Rights © 2016 P. Srinivasan, L. Nicola, A. Simone Files PDF 5_P.Srinivasan_ictam2016_2_.pdf 353.1 KB Close viewer /islandora/object/uuid:8a43a087-3100-4c52-895b-2c022ebd0541/datastream/OBJ/view