Molecular Dynamics Modeling of the Effect of Nanotwins on the Superelasticity of Single-Crystalline NiTi Alloys

The objective of this work is to simulate the superelasticity and shape-memory effect in a single-crystalline nickel-titanium (NiTi) alloy through a molecular dynamics (MD) study. Cooling and heating processes for this material are reproduced to investigate the temperature-induced phase transformati...

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Main Authors:	Yang Guo, Xiangguo Zeng, Huayan Chen, Tixin Han, Heyi Tian, Fang Wang
Format:	Article
Language:	English
Published:	Hindawi Limited 2017-01-01
Series:	Advances in Materials Science and Engineering
Online Access:	http://dx.doi.org/10.1155/2017/7427039

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record_format	Article
spelling	doaj-75f5913cfd234bb5998c2f43948b36dd2020-11-24T21:22:22ZengHindawi LimitedAdvances in Materials Science and Engineering1687-84341687-84422017-01-01201710.1155/2017/74270397427039Molecular Dynamics Modeling of the Effect of Nanotwins on the Superelasticity of Single-Crystalline NiTi AlloysYang Guo0Xiangguo Zeng1Huayan Chen2Tixin Han3Heyi Tian4Fang Wang5College of Architecture and Environment, Sichuan University, Chengdu 610065, ChinaCollege of Architecture and Environment, Sichuan University, Chengdu 610065, ChinaCollege of Architecture and Environment, Sichuan University, Chengdu 610065, ChinaCollege of Architecture and Environment, Sichuan University, Chengdu 610065, ChinaCollege of Architecture and Environment, Sichuan University, Chengdu 610065, ChinaFaculty of Materials and Energy, Southwest University, Chongqing 400715, ChinaThe objective of this work is to simulate the superelasticity and shape-memory effect in a single-crystalline nickel-titanium (NiTi) alloy through a molecular dynamics (MD) study. Cooling and heating processes for this material are reproduced to investigate the temperature-induced phase transformation in its microstructure. It is found that the martensitic transformation and its reverse process occur accompanied by an abrupt volume change, and the transformed variants lead to the appearance of the (001) type compound twin. In addition, the transform temperatures for martensite start (Ms) and austenite finish (Af) are determined, respectively. The results indicate that when the temperature is beyond Af during the compressive loading-unloading, the superelastic behavior becomes pronounced, which is attributed to the role of nanotwins on the transformation from the austenitic phase (B2) to martensitic phase (B19′). Compared to existing experimental data, a reasonable agreement is achieved through the modeling results, highlighting the importance of the compound twins for dominating the superelasticity of nanostructured NiTi alloys.http://dx.doi.org/10.1155/2017/7427039
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Yang Guo Xiangguo Zeng Huayan Chen Tixin Han Heyi Tian Fang Wang
spellingShingle	Yang Guo Xiangguo Zeng Huayan Chen Tixin Han Heyi Tian Fang Wang Molecular Dynamics Modeling of the Effect of Nanotwins on the Superelasticity of Single-Crystalline NiTi Alloys Advances in Materials Science and Engineering
author_facet	Yang Guo Xiangguo Zeng Huayan Chen Tixin Han Heyi Tian Fang Wang
author_sort	Yang Guo
title	Molecular Dynamics Modeling of the Effect of Nanotwins on the Superelasticity of Single-Crystalline NiTi Alloys
title_short	Molecular Dynamics Modeling of the Effect of Nanotwins on the Superelasticity of Single-Crystalline NiTi Alloys
title_full	Molecular Dynamics Modeling of the Effect of Nanotwins on the Superelasticity of Single-Crystalline NiTi Alloys
title_fullStr	Molecular Dynamics Modeling of the Effect of Nanotwins on the Superelasticity of Single-Crystalline NiTi Alloys
title_full_unstemmed	Molecular Dynamics Modeling of the Effect of Nanotwins on the Superelasticity of Single-Crystalline NiTi Alloys
title_sort	molecular dynamics modeling of the effect of nanotwins on the superelasticity of single-crystalline niti alloys
publisher	Hindawi Limited
series	Advances in Materials Science and Engineering
issn	1687-8434 1687-8442
publishDate	2017-01-01
description	The objective of this work is to simulate the superelasticity and shape-memory effect in a single-crystalline nickel-titanium (NiTi) alloy through a molecular dynamics (MD) study. Cooling and heating processes for this material are reproduced to investigate the temperature-induced phase transformation in its microstructure. It is found that the martensitic transformation and its reverse process occur accompanied by an abrupt volume change, and the transformed variants lead to the appearance of the (001) type compound twin. In addition, the transform temperatures for martensite start (Ms) and austenite finish (Af) are determined, respectively. The results indicate that when the temperature is beyond Af during the compressive loading-unloading, the superelastic behavior becomes pronounced, which is attributed to the role of nanotwins on the transformation from the austenitic phase (B2) to martensitic phase (B19′). Compared to existing experimental data, a reasonable agreement is achieved through the modeling results, highlighting the importance of the compound twins for dominating the superelasticity of nanostructured NiTi alloys.
url	http://dx.doi.org/10.1155/2017/7427039
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Molecular Dynamics Modeling of the Effect of Nanotwins on the Superelasticity of Single-Crystalline NiTi Alloys

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