TY - JOUR
T1 - Atomistic simulation of shape memory effect (SME) and superelasticity (SE) in nano-porous NiTi shape memory alloy (SMA)
AU - Gur, Sourav
AU - Frantziskonis, George N.
AU - Muralidharan, Krishna
N1 - Funding Information:
The reported exploratory work became possible through the support of SG by the University of Arizona . The authors would like to acknowledge Prof. Ting Zhu (Woodruff school of mechanical engineering at Georgia Institute of Technology) for providing the interatomic potential parameters.
Publisher Copyright:
© 2018 Elsevier B.V.
PY - 2018/9
Y1 - 2018/9
N2 - Porosity can play an important role in altering the phase transformation characteristics of NiTi shape memory alloys (SMA), thus changing its shape memory as well as its superelasticity properties. This work, based on atomistic simulations of binary NiTi SMA, documents the effects of porosity at the nanometer length scale on phase fraction evolution kinetics, transformation temperatures, and stress-strain response. Classical molecular dynamics simulations are performed using a well-examined and verified Finnis-Sinclair type embedded-atom method interatomic potential. Simulation results for the nano-porous NiTi with various porosity configurations are compared to non-porous NiTi. The martensite phase fraction and transformation temperatures increase noticeably with increasing porosity, and the stress-strain response shows noticeable variation with porosity. The residual strain and hysteretic energy dissipation capacity increase significantly with increasing porosity.
AB - Porosity can play an important role in altering the phase transformation characteristics of NiTi shape memory alloys (SMA), thus changing its shape memory as well as its superelasticity properties. This work, based on atomistic simulations of binary NiTi SMA, documents the effects of porosity at the nanometer length scale on phase fraction evolution kinetics, transformation temperatures, and stress-strain response. Classical molecular dynamics simulations are performed using a well-examined and verified Finnis-Sinclair type embedded-atom method interatomic potential. Simulation results for the nano-porous NiTi with various porosity configurations are compared to non-porous NiTi. The martensite phase fraction and transformation temperatures increase noticeably with increasing porosity, and the stress-strain response shows noticeable variation with porosity. The residual strain and hysteretic energy dissipation capacity increase significantly with increasing porosity.
KW - Atomistic simulation
KW - Nanoscale
KW - NiTi shape memory alloy
KW - Porosity
KW - Shape memory effect
KW - Superelasticity
UR - http://www.scopus.com/inward/record.url?scp=85047159578&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85047159578&partnerID=8YFLogxK
U2 - 10.1016/j.commatsci.2018.05.031
DO - 10.1016/j.commatsci.2018.05.031
M3 - Article
AN - SCOPUS:85047159578
VL - 152
SP - 28
EP - 37
JO - Computational Materials Science
JF - Computational Materials Science
SN - 0927-0256
ER -