Effects of Vacancy Concentration and Temperature on Mechanical Properties of Single-Crystal γ-TiAl Based on Molecular Dynamics Simulation
Molecular dynamics simulation is used to analyze tensile strength and elastic modulus under different temperatures and vacancy concentrations. The effects of temperature and vacancy concentration on the mechanical properties of γ-TiAl alloy are investigated. The results show that the ultimate stress...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
De Gruyter
2018-01-01
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| Series: | High Temperature Materials and Processes |
| Subjects: | |
| Online Access: | https://doi.org/10.1515/htmp-2016-0156 |
| _version_ | 1818720475638923264 |
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| author | Ruicheng Feng Hui Cao Haiyan Li Zhiyuan Rui Changfeng Yan |
| author_facet | Ruicheng Feng Hui Cao Haiyan Li Zhiyuan Rui Changfeng Yan |
| author_sort | Ruicheng Feng |
| collection | DOAJ |
| description | Molecular dynamics simulation is used to analyze tensile strength and elastic modulus under different temperatures and vacancy concentrations. The effects of temperature and vacancy concentration on the mechanical properties of γ-TiAl alloy are investigated. The results show that the ultimate stress, ultimate strain and elastic modulus decrease nonlinearly with increasing temperature and vacancy concentration. As the temperature increases, the plastic of material is reinforced. The influence of temperature on strength and elastic modulus is larger than that of vacancy concentration. The evolution process of vacancy could be observed clearly. Furthermore, vacancies with different concentrations develop into voids first as a function of external forces or other factors, micro cracks evolve from those voids, those micro cracks then converge to a macro crack, and fracture will finally occur. The vacancy evolution process cannot be observed clearly owing to the thermal motion of atoms at high temperature. In addition, potential energy is affected by both temperature and vacancy concentration. |
| first_indexed | 2024-12-17T20:23:26Z |
| format | Article |
| id | doaj.art-83a2aba3b6ce4d7b8d64c09e74248972 |
| institution | Directory Open Access Journal |
| issn | 0334-6455 2191-0324 |
| language | English |
| last_indexed | 2024-12-17T20:23:26Z |
| publishDate | 2018-01-01 |
| publisher | De Gruyter |
| record_format | Article |
| series | High Temperature Materials and Processes |
| spelling | doaj.art-83a2aba3b6ce4d7b8d64c09e742489722022-12-21T21:33:52ZengDe GruyterHigh Temperature Materials and Processes0334-64552191-03242018-01-0137211312010.1515/htmp-2016-0156Effects of Vacancy Concentration and Temperature on Mechanical Properties of Single-Crystal γ-TiAl Based on Molecular Dynamics SimulationRuicheng Feng0Hui Cao1Haiyan Li2Zhiyuan Rui3Changfeng Yan4Mechanical and Electronical Engineering College, Lanzhou University of Technology, Lanzhou730050, ChinaMechanical and Electronical Engineering College, Lanzhou University of Technology, Lanzhou730050, ChinaMechanical and Electronical Engineering College, Lanzhou University of Technology, Lanzhou730050, ChinaMechanical and Electronical Engineering College, Lanzhou University of Technology, Lanzhou730050, ChinaMechanical and Electronical Engineering College, Lanzhou University of Technology, Lanzhou730050, ChinaMolecular dynamics simulation is used to analyze tensile strength and elastic modulus under different temperatures and vacancy concentrations. The effects of temperature and vacancy concentration on the mechanical properties of γ-TiAl alloy are investigated. The results show that the ultimate stress, ultimate strain and elastic modulus decrease nonlinearly with increasing temperature and vacancy concentration. As the temperature increases, the plastic of material is reinforced. The influence of temperature on strength and elastic modulus is larger than that of vacancy concentration. The evolution process of vacancy could be observed clearly. Furthermore, vacancies with different concentrations develop into voids first as a function of external forces or other factors, micro cracks evolve from those voids, those micro cracks then converge to a macro crack, and fracture will finally occur. The vacancy evolution process cannot be observed clearly owing to the thermal motion of atoms at high temperature. In addition, potential energy is affected by both temperature and vacancy concentration.https://doi.org/10.1515/htmp-2016-0156γ-tial alloymolecular dynamicsvacancytemperaturemechanical properties |
| spellingShingle | Ruicheng Feng Hui Cao Haiyan Li Zhiyuan Rui Changfeng Yan Effects of Vacancy Concentration and Temperature on Mechanical Properties of Single-Crystal γ-TiAl Based on Molecular Dynamics Simulation High Temperature Materials and Processes γ-tial alloy molecular dynamics vacancy temperature mechanical properties |
| title | Effects of Vacancy Concentration and Temperature on Mechanical Properties of Single-Crystal γ-TiAl Based on Molecular Dynamics Simulation |
| title_full | Effects of Vacancy Concentration and Temperature on Mechanical Properties of Single-Crystal γ-TiAl Based on Molecular Dynamics Simulation |
| title_fullStr | Effects of Vacancy Concentration and Temperature on Mechanical Properties of Single-Crystal γ-TiAl Based on Molecular Dynamics Simulation |
| title_full_unstemmed | Effects of Vacancy Concentration and Temperature on Mechanical Properties of Single-Crystal γ-TiAl Based on Molecular Dynamics Simulation |
| title_short | Effects of Vacancy Concentration and Temperature on Mechanical Properties of Single-Crystal γ-TiAl Based on Molecular Dynamics Simulation |
| title_sort | effects of vacancy concentration and temperature on mechanical properties of single crystal γ tial based on molecular dynamics simulation |
| topic | γ-tial alloy molecular dynamics vacancy temperature mechanical properties |
| url | https://doi.org/10.1515/htmp-2016-0156 |
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