Molecular dynamics simulations of phase transformations in niti bicrystals

Prashanth Srinivasan, Lucia Nicola, Angelo Simone

Research output: Chapter in Book/Conference proceedings/Edited volumeConference contributionScientificpeer-review

47 Downloads (Pure)

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.
Original languageEnglish
Title of host publicationProceedings of the 24th International Congress of Theoretical and Applied Mechanics
Subtitle of host publication21-26 August 2016, Montreal, Canada
EditorsJ.M. Floryan, V. Tvergaard, D. van Campen
Pages1-2
Publication statusPublished - 2016
Event24th International Congress of Theoretical and Applied Mechanics (ICTAM) - Montreal, Canada
Duration: 21 Aug 201626 Aug 2016
Conference number: 24

Conference

Conference24th International Congress of Theoretical and Applied Mechanics (ICTAM)
Abbreviated titleICTAM 2016
CountryCanada
CityMontreal
Period21/08/1626/08/16

Fingerprint Dive into the research topics of 'Molecular dynamics simulations of phase transformations in niti bicrystals'. Together they form a unique fingerprint.

Cite this