Atomistic simulation of shape memory effect (SME) and superelasticity (SE) in nano-porous NiTi shape memory alloy (SMA)

Research output: Contribution to journalArticle

Abstract

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.

Original languageEnglish (US)
Pages (from-to)28-37
Number of pages10
JournalComputational Materials Science
Volume152
DOIs
StatePublished - Sep 1 2018

Fingerprint

Atomistic Simulation
Memory Effect
Shape Memory
shape memory alloys
Porosity
Shape memory effect
porosity
simulation
Interatomic Potential
Martensite
embedded atom method
Phase Transformation
Energy Dissipation
binary alloys
martensite
Length Scale
Molecular Dynamics Simulation
phase transformations
Molecular dynamics
Energy dissipation

Keywords

  • Atomistic simulation
  • Nanoscale
  • NiTi shape memory alloy
  • Porosity
  • Shape memory effect
  • Superelasticity

ASJC Scopus subject areas

  • Computer Science(all)
  • Chemistry(all)
  • Materials Science(all)
  • Mechanics of Materials
  • Physics and Astronomy(all)
  • Computational Mathematics

Cite this

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title = "Atomistic simulation of shape memory effect (SME) and superelasticity (SE) in nano-porous NiTi shape memory alloy (SMA)",
abstract = "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.",
keywords = "Atomistic simulation, Nanoscale, NiTi shape memory alloy, Porosity, Shape memory effect, Superelasticity",
author = "Sourav Gur and Frantziskonis, {George N} and Krishna Muralidharan",
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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

PY - 2018/9/1

Y1 - 2018/9/1

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

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KW - Shape memory effect

KW - Superelasticity

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