Hydrogen-Induced Dislocation Nucleation and Plastic Deformation of <inline-formula><math display="inline"><semantics><mrow><mstyle mathvariant="bold"><mo>〈</mo><mrow><mn>001</mn></mrow><mo>〉</mo></mstyle></mrow></semantics></math></inline-formula> and <inline-formula><math display="inline"><semantics><mrow><mstyle mathvariant="bold"><mo>〈</mo><mrow><mn>1</mn><mover accent="true"><mn>1</mn><mo>¯</mo></mover><mn>0</mn></mrow><mo>〉</mo></mstyle></mrow></semantics></math></inline-formula> Grain Boundaries in Nickel
The grain boundary (GB) plays a crucial role in dominating hydrogen-induced plastic deformation and intergranular failure in polycrystal metals. In the present study, molecular dynamics simulations were employed to study the effects of hydrogen segregation on dislocation plasticity of a series of sy...
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MDPI AG
2022-09-01
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| Series: | Materials |
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| Online Access: | https://www.mdpi.com/1996-1944/15/18/6503 |
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| author | Jiaqing Li Ziyue Wu Lin Teng Guanyu Deng Rui Wang Cheng Lu Weidong Li Xin Huang Yu Liu |
| author_facet | Jiaqing Li Ziyue Wu Lin Teng Guanyu Deng Rui Wang Cheng Lu Weidong Li Xin Huang Yu Liu |
| author_sort | Jiaqing Li |
| collection | DOAJ |
| description | The grain boundary (GB) plays a crucial role in dominating hydrogen-induced plastic deformation and intergranular failure in polycrystal metals. In the present study, molecular dynamics simulations were employed to study the effects of hydrogen segregation on dislocation plasticity of a series of symmetrical tilt grain boundaries (STGBs) with various hydrogen concentrations. Our study shows that hydrogen both enhances and reduces dislocation nucleation events from STGBs, depending on different GB structures. Specifically, for <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mrow><mo>⟨</mo><mrow><mn>001</mn></mrow><mo>⟩</mo></mrow></mrow></semantics></math></inline-formula> STGBs, hydrogen does not affect the mode of heterogeneous dislocation nucleation (HDN), but facilitates nucleation events as a consequence of hydrogen disordering the GB structure. Conversely, hydrogen retards dislocation nucleation due to the fact that hydrogen segregation disrupts the transformation of boundary structure such as Σ9 (<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mn>2</mn><mo> </mo><mn>2</mn><mo> </mo><mover accent="true"><mn>1</mn><mo>¯</mo></mover></mrow></semantics></math></inline-formula>) <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mrow><mo>⟨</mo><mrow><mn>1</mn><mover accent="true"><mn>1</mn><mo>¯</mo></mover><mn>0</mn></mrow><mo>⟩</mo></mrow></mrow></semantics></math></inline-formula> STGB. These results are helpful for deepening our understanding of GB-mediated hydrogen embrittlement (HE) mechanisms. |
| first_indexed | 2024-03-09T23:16:40Z |
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| id | doaj.art-7788ce448d3c4fae83be0f143e28baf2 |
| institution | Directory Open Access Journal |
| issn | 1996-1944 |
| language | English |
| last_indexed | 2024-03-09T23:16:40Z |
| publishDate | 2022-09-01 |
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| record_format | Article |
| series | Materials |
| spelling | doaj.art-7788ce448d3c4fae83be0f143e28baf22023-11-23T17:34:46ZengMDPI AGMaterials1996-19442022-09-011518650310.3390/ma15186503Hydrogen-Induced Dislocation Nucleation and Plastic Deformation of <inline-formula><math display="inline"><semantics><mrow><mstyle mathvariant="bold"><mo>〈</mo><mrow><mn>001</mn></mrow><mo>〉</mo></mstyle></mrow></semantics></math></inline-formula> and <inline-formula><math display="inline"><semantics><mrow><mstyle mathvariant="bold"><mo>〈</mo><mrow><mn>1</mn><mover accent="true"><mn>1</mn><mo>¯</mo></mover><mn>0</mn></mrow><mo>〉</mo></mstyle></mrow></semantics></math></inline-formula> Grain Boundaries in NickelJiaqing Li0Ziyue Wu1Lin Teng2Guanyu Deng3Rui Wang4Cheng Lu5Weidong Li6Xin Huang7Yu Liu8College of Chemical Engineering, Fuzhou University, Fuzhou 350116, ChinaCollege of Chemical Engineering, Fuzhou University, Fuzhou 350116, ChinaCollege of Chemical Engineering, Fuzhou University, Fuzhou 350116, ChinaSchool of Mechanical, Materials, Mechatronic and Biomedical Engineering, University of Wollongong, Wollongong, NSW 2522, AustraliaSchool of Mechanical, Materials, Mechatronic and Biomedical Engineering, University of Wollongong, Wollongong, NSW 2522, AustraliaSchool of Mechanical, Materials, Mechatronic and Biomedical Engineering, University of Wollongong, Wollongong, NSW 2522, AustraliaCollege of Chemical Engineering, Fuzhou University, Fuzhou 350116, ChinaCollege of Chemical Engineering, Fuzhou University, Fuzhou 350116, ChinaSchool of Mechanical Engineering, Nantong University, Nantong 226019, ChinaThe grain boundary (GB) plays a crucial role in dominating hydrogen-induced plastic deformation and intergranular failure in polycrystal metals. In the present study, molecular dynamics simulations were employed to study the effects of hydrogen segregation on dislocation plasticity of a series of symmetrical tilt grain boundaries (STGBs) with various hydrogen concentrations. Our study shows that hydrogen both enhances and reduces dislocation nucleation events from STGBs, depending on different GB structures. Specifically, for <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mrow><mo>⟨</mo><mrow><mn>001</mn></mrow><mo>⟩</mo></mrow></mrow></semantics></math></inline-formula> STGBs, hydrogen does not affect the mode of heterogeneous dislocation nucleation (HDN), but facilitates nucleation events as a consequence of hydrogen disordering the GB structure. Conversely, hydrogen retards dislocation nucleation due to the fact that hydrogen segregation disrupts the transformation of boundary structure such as Σ9 (<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mn>2</mn><mo> </mo><mn>2</mn><mo> </mo><mover accent="true"><mn>1</mn><mo>¯</mo></mover></mrow></semantics></math></inline-formula>) <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mrow><mo>⟨</mo><mrow><mn>1</mn><mover accent="true"><mn>1</mn><mo>¯</mo></mover><mn>0</mn></mrow><mo>⟩</mo></mrow></mrow></semantics></math></inline-formula> STGB. These results are helpful for deepening our understanding of GB-mediated hydrogen embrittlement (HE) mechanisms.https://www.mdpi.com/1996-1944/15/18/6503molecular dynamicshydrogen embrittlementdislocation nucleationplastic deformation |
| spellingShingle | Jiaqing Li Ziyue Wu Lin Teng Guanyu Deng Rui Wang Cheng Lu Weidong Li Xin Huang Yu Liu Hydrogen-Induced Dislocation Nucleation and Plastic Deformation of <inline-formula><math display="inline"><semantics><mrow><mstyle mathvariant="bold"><mo>〈</mo><mrow><mn>001</mn></mrow><mo>〉</mo></mstyle></mrow></semantics></math></inline-formula> and <inline-formula><math display="inline"><semantics><mrow><mstyle mathvariant="bold"><mo>〈</mo><mrow><mn>1</mn><mover accent="true"><mn>1</mn><mo>¯</mo></mover><mn>0</mn></mrow><mo>〉</mo></mstyle></mrow></semantics></math></inline-formula> Grain Boundaries in Nickel Materials molecular dynamics hydrogen embrittlement dislocation nucleation plastic deformation |
| title | Hydrogen-Induced Dislocation Nucleation and Plastic Deformation of <inline-formula><math display="inline"><semantics><mrow><mstyle mathvariant="bold"><mo>〈</mo><mrow><mn>001</mn></mrow><mo>〉</mo></mstyle></mrow></semantics></math></inline-formula> and <inline-formula><math display="inline"><semantics><mrow><mstyle mathvariant="bold"><mo>〈</mo><mrow><mn>1</mn><mover accent="true"><mn>1</mn><mo>¯</mo></mover><mn>0</mn></mrow><mo>〉</mo></mstyle></mrow></semantics></math></inline-formula> Grain Boundaries in Nickel |
| title_full | Hydrogen-Induced Dislocation Nucleation and Plastic Deformation of <inline-formula><math display="inline"><semantics><mrow><mstyle mathvariant="bold"><mo>〈</mo><mrow><mn>001</mn></mrow><mo>〉</mo></mstyle></mrow></semantics></math></inline-formula> and <inline-formula><math display="inline"><semantics><mrow><mstyle mathvariant="bold"><mo>〈</mo><mrow><mn>1</mn><mover accent="true"><mn>1</mn><mo>¯</mo></mover><mn>0</mn></mrow><mo>〉</mo></mstyle></mrow></semantics></math></inline-formula> Grain Boundaries in Nickel |
| title_fullStr | Hydrogen-Induced Dislocation Nucleation and Plastic Deformation of <inline-formula><math display="inline"><semantics><mrow><mstyle mathvariant="bold"><mo>〈</mo><mrow><mn>001</mn></mrow><mo>〉</mo></mstyle></mrow></semantics></math></inline-formula> and <inline-formula><math display="inline"><semantics><mrow><mstyle mathvariant="bold"><mo>〈</mo><mrow><mn>1</mn><mover accent="true"><mn>1</mn><mo>¯</mo></mover><mn>0</mn></mrow><mo>〉</mo></mstyle></mrow></semantics></math></inline-formula> Grain Boundaries in Nickel |
| title_full_unstemmed | Hydrogen-Induced Dislocation Nucleation and Plastic Deformation of <inline-formula><math display="inline"><semantics><mrow><mstyle mathvariant="bold"><mo>〈</mo><mrow><mn>001</mn></mrow><mo>〉</mo></mstyle></mrow></semantics></math></inline-formula> and <inline-formula><math display="inline"><semantics><mrow><mstyle mathvariant="bold"><mo>〈</mo><mrow><mn>1</mn><mover accent="true"><mn>1</mn><mo>¯</mo></mover><mn>0</mn></mrow><mo>〉</mo></mstyle></mrow></semantics></math></inline-formula> Grain Boundaries in Nickel |
| title_short | Hydrogen-Induced Dislocation Nucleation and Plastic Deformation of <inline-formula><math display="inline"><semantics><mrow><mstyle mathvariant="bold"><mo>〈</mo><mrow><mn>001</mn></mrow><mo>〉</mo></mstyle></mrow></semantics></math></inline-formula> and <inline-formula><math display="inline"><semantics><mrow><mstyle mathvariant="bold"><mo>〈</mo><mrow><mn>1</mn><mover accent="true"><mn>1</mn><mo>¯</mo></mover><mn>0</mn></mrow><mo>〉</mo></mstyle></mrow></semantics></math></inline-formula> Grain Boundaries in Nickel |
| title_sort | hydrogen induced dislocation nucleation and plastic deformation of inline formula math display inline semantics mrow mstyle mathvariant bold mo mo mrow mn 001 mn mrow mo mo mstyle mrow semantics math inline formula and inline formula math display inline semantics mrow mstyle mathvariant bold mo mo mrow mn 1 mn mover accent true mn 1 mn mo ¯ mo mover mn 0 mn mrow mo mo mstyle mrow semantics math inline formula grain boundaries in nickel |
| topic | molecular dynamics hydrogen embrittlement dislocation nucleation plastic deformation |
| url | https://www.mdpi.com/1996-1944/15/18/6503 |
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