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...
Saved in:
| Main Authors: | , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Wiley
2017-01-01
|
| Series: | Advances in Materials Science and Engineering |
| Online Access: | http://dx.doi.org/10.1155/2017/7427039 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1832561091530457088 |
|---|---|
| author | Yang Guo Xiangguo Zeng Huayan Chen Tixin Han Heyi Tian Fang Wang |
| author_facet | Yang Guo Xiangguo Zeng Huayan Chen Tixin Han Heyi Tian Fang Wang |
| author_sort | Yang Guo |
| collection | DOAJ |
| 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. |
| format | Article |
| id | doaj-art-75f5913cfd234bb5998c2f43948b36dd |
| institution | Kabale University |
| issn | 1687-8434 1687-8442 |
| language | English |
| publishDate | 2017-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Advances in Materials Science and Engineering |
| spelling | doaj-art-75f5913cfd234bb5998c2f43948b36dd2025-02-03T01:25:59ZengWileyAdvances 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 |
| 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 |
| title | 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_short | 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 |
| url | http://dx.doi.org/10.1155/2017/7427039 |
| work_keys_str_mv | AT yangguo moleculardynamicsmodelingoftheeffectofnanotwinsonthesuperelasticityofsinglecrystallinenitialloys AT xiangguozeng moleculardynamicsmodelingoftheeffectofnanotwinsonthesuperelasticityofsinglecrystallinenitialloys AT huayanchen moleculardynamicsmodelingoftheeffectofnanotwinsonthesuperelasticityofsinglecrystallinenitialloys AT tixinhan moleculardynamicsmodelingoftheeffectofnanotwinsonthesuperelasticityofsinglecrystallinenitialloys AT heyitian moleculardynamicsmodelingoftheeffectofnanotwinsonthesuperelasticityofsinglecrystallinenitialloys AT fangwang moleculardynamicsmodelingoftheeffectofnanotwinsonthesuperelasticityofsinglecrystallinenitialloys |