Temperature-Dependent Generalized Planar Fault Energy and Twinnability of Mg Microalloyed with Er, Ho, Dy, Tb, and Gd: First-Principles Study
The generalized planar fault energies, Rice criterion ductility, and twinnability of pure Mg and Mg-RE (RE = Er, Ho, Dy, Tb, and Gd) alloys at different temperature have been investigated using density functional theory. It is shown that all the fault energies and twinnability in the same materials...
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| Format: | Article |
| Language: | English |
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Wiley
2016-01-01
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| Series: | Advances in Materials Science and Engineering |
| Online Access: | http://dx.doi.org/10.1155/2016/7365906 |
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| author | Lili Liu Yelu He Dingxing Liu Xiaozhi Wu Rui Wang |
| author_facet | Lili Liu Yelu He Dingxing Liu Xiaozhi Wu Rui Wang |
| author_sort | Lili Liu |
| collection | DOAJ |
| description | The generalized planar fault energies, Rice criterion ductility, and twinnability of pure Mg and Mg-RE (RE = Er, Ho, Dy, Tb, and Gd) alloys at different temperature have been investigated using density functional theory. It is shown that all the fault energies and twinnability in the same materials decrease with increasing temperature. However, the ductility has the opposite change trend. On the other hand, alloying rare earth elements will generally decrease the fault energies and increase the ductility and twinnability of Mg at different temperature. It is interesting to note that alloying larger atomic radius will enhance the ductility of Mg more easily and alloying smaller radius will make twinning tendency of Mg more easily. Finally, the electron structure further reveals the underlying mechanisms for the reduction of fault energies with the addition of rare earth elements. |
| format | Article |
| id | doaj-art-7a0cae76ed704917b3090c1dde6f368a |
| institution | Kabale University |
| issn | 1687-8434 1687-8442 |
| language | English |
| publishDate | 2016-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Advances in Materials Science and Engineering |
| spelling | doaj-art-7a0cae76ed704917b3090c1dde6f368a2025-02-03T05:45:25ZengWileyAdvances in Materials Science and Engineering1687-84341687-84422016-01-01201610.1155/2016/73659067365906Temperature-Dependent Generalized Planar Fault Energy and Twinnability of Mg Microalloyed with Er, Ho, Dy, Tb, and Gd: First-Principles StudyLili Liu0Yelu He1Dingxing Liu2Xiaozhi Wu3Rui Wang4Department of Physics, Chongqing Three Gorges University, Chongqing 404100, ChinaDepartment of Physics, Chongqing Three Gorges University, Chongqing 404100, ChinaDepartment of Physics, Chongqing Three Gorges University, Chongqing 404100, ChinaInstitute for Structure and Function, Chongqing University, Chongqing 401331, ChinaInstitute for Structure and Function, Chongqing University, Chongqing 401331, ChinaThe generalized planar fault energies, Rice criterion ductility, and twinnability of pure Mg and Mg-RE (RE = Er, Ho, Dy, Tb, and Gd) alloys at different temperature have been investigated using density functional theory. It is shown that all the fault energies and twinnability in the same materials decrease with increasing temperature. However, the ductility has the opposite change trend. On the other hand, alloying rare earth elements will generally decrease the fault energies and increase the ductility and twinnability of Mg at different temperature. It is interesting to note that alloying larger atomic radius will enhance the ductility of Mg more easily and alloying smaller radius will make twinning tendency of Mg more easily. Finally, the electron structure further reveals the underlying mechanisms for the reduction of fault energies with the addition of rare earth elements.http://dx.doi.org/10.1155/2016/7365906 |
| spellingShingle | Lili Liu Yelu He Dingxing Liu Xiaozhi Wu Rui Wang Temperature-Dependent Generalized Planar Fault Energy and Twinnability of Mg Microalloyed with Er, Ho, Dy, Tb, and Gd: First-Principles Study Advances in Materials Science and Engineering |
| title | Temperature-Dependent Generalized Planar Fault Energy and Twinnability of Mg Microalloyed with Er, Ho, Dy, Tb, and Gd: First-Principles Study |
| title_full | Temperature-Dependent Generalized Planar Fault Energy and Twinnability of Mg Microalloyed with Er, Ho, Dy, Tb, and Gd: First-Principles Study |
| title_fullStr | Temperature-Dependent Generalized Planar Fault Energy and Twinnability of Mg Microalloyed with Er, Ho, Dy, Tb, and Gd: First-Principles Study |
| title_full_unstemmed | Temperature-Dependent Generalized Planar Fault Energy and Twinnability of Mg Microalloyed with Er, Ho, Dy, Tb, and Gd: First-Principles Study |
| title_short | Temperature-Dependent Generalized Planar Fault Energy and Twinnability of Mg Microalloyed with Er, Ho, Dy, Tb, and Gd: First-Principles Study |
| title_sort | temperature dependent generalized planar fault energy and twinnability of mg microalloyed with er ho dy tb and gd first principles study |
| url | http://dx.doi.org/10.1155/2016/7365906 |
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