Molecular dynamics simulations of phase transformations in niti bicrystals

Prashanth Srinivasan; Lucia Nicola; Angelo Simone

Molecular dynamics simulations of phase transformations in niti bicrystals

Prashanth Srinivasan, Lucia Nicola, Angelo Simone

Applied Mechanics

Research output: Chapter in Book/Conference proceedings/Edited volume › Conference contribution › Scientific › peer-review

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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 language	English
Title of host publication	Proceedings of the 24th International Congress of Theoretical and Applied Mechanics
Subtitle of host publication	21-26 August 2016, Montreal, Canada
Editors	J.M. Floryan, V. Tvergaard, D. van Campen
Pages	1-2
Publication status	Published - 2016
Event	24th International Congress of Theoretical and Applied Mechanics (ICTAM) - Montreal, Canada Duration: 21 Aug 2016 → 26 Aug 2016 Conference number: 24

Conference

Conference	24th International Congress of Theoretical and Applied Mechanics (ICTAM)
Abbreviated title	ICTAM 2016
Country/Territory	Canada
City	Montreal
Period	21/08/16 → 26/08/16

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@inproceedings{8a43a08731004c52895b2c022ebd0541,

title = "Molecular dynamics simulations of phase transformations in niti bicrystals",

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.",

author = "Prashanth Srinivasan and Lucia Nicola and Angelo Simone",

year = "2016",

language = "English",

pages = "1--2",

editor = "J.M. Floryan and V. Tvergaard and {van Campen}, D.",

booktitle = "Proceedings of the 24th International Congress of Theoretical and Applied Mechanics",

note = "24th International Congress of Theoretical and Applied Mechanics (ICTAM), ICTAM 2016 ; Conference date: 21-08-2016 Through 26-08-2016",

}

Srinivasan, P, Nicola, L & Simone, A 2016, Molecular dynamics simulations of phase transformations in niti bicrystals. in JM Floryan, V Tvergaard & D van Campen (eds), Proceedings of the 24th International Congress of Theoretical and Applied Mechanics: 21-26 August 2016, Montreal, Canada. pp. 1-2, 24th International Congress of Theoretical and Applied Mechanics (ICTAM), Montreal, Canada, 21/08/16.

Molecular dynamics simulations of phase transformations in niti bicrystals. / Srinivasan, Prashanth; Nicola, Lucia; Simone, Angelo.
Proceedings of the 24th International Congress of Theoretical and Applied Mechanics: 21-26 August 2016, Montreal, Canada. ed. / J.M. Floryan; V. Tvergaard; D. van Campen. 2016. p. 1-2.

Research output: Chapter in Book/Conference proceedings/Edited volume › Conference contribution › Scientific › peer-review

TY - GEN

T1 - Molecular dynamics simulations of phase transformations in niti bicrystals

AU - Srinivasan, Prashanth

AU - Nicola, Lucia

AU - Simone, Angelo

N1 - Conference code: 24

PY - 2016

Y1 - 2016

N2 - 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.

AB - 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.

UR - http://resolver.tudelft.nl/uuid:8a43a087-3100-4c52-895b-2c022ebd0541

M3 - Conference contribution

SP - 1

EP - 2

BT - Proceedings of the 24th International Congress of Theoretical and Applied Mechanics

A2 - Floryan, J.M.

A2 - Tvergaard, V.

A2 - van Campen, D.

T2 - 24th International Congress of Theoretical and Applied Mechanics (ICTAM)

Y2 - 21 August 2016 through 26 August 2016

ER -

Molecular dynamics simulations of phase transformations in niti bicrystals

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