Deformation Behavior of Pure Titanium With a Rare HCP/FCC Boundary: An Atomistic Study
Abstract The compressive and tensile behaviors in a Ti nanopillar with a biphasic hexagonal close-packed (HCP) /face-centered cubic (FCC) phase boundary are theoretically researched using classic molecular dynamic simulation. The results indicate that the HCP/FCC interface and free surface of the na...
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| Format: | Article |
| Language: | English |
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Associação Brasileira de Metalurgia e Materiais (ABM); Associação Brasileira de Cerâmica (ABC); Associação Brasileira de Polímeros (ABPol)
2020-04-01
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| Series: | Materials Research |
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| Online Access: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392020000100218&tlng=en |
| _version_ | 1798022144850919424 |
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| author | Junqiang Ren Xitong Liu Qingfeng Lei Qi Wang Xiaobo Zhang Xudong Zhang Xuefeng Lu Hongtao Xue Yutian Ding |
| author_facet | Junqiang Ren Xitong Liu Qingfeng Lei Qi Wang Xiaobo Zhang Xudong Zhang Xuefeng Lu Hongtao Xue Yutian Ding |
| author_sort | Junqiang Ren |
| collection | DOAJ |
| description | Abstract The compressive and tensile behaviors in a Ti nanopillar with a biphasic hexagonal close-packed (HCP) /face-centered cubic (FCC) phase boundary are theoretically researched using classic molecular dynamic simulation. The results indicate that the HCP/FCC interface and free surface of the nanopillar are the sources of dislocation nucleation. The plastic deformation is mainly concentrated in the metastable FCC phase of the biphasic nanopillar. Under compressive loading, a reverse phase transformation of FCC to the HCP phase is induced by the dislocation glide of multiple Shockley partial dislocations 1 2 < 1 ¯ 21 >under compressive loading. However, for tensile loading a large number of Lomer-Cottrell sessile dislocations and stacking fault nets are formed when the partial dislocations react, which leads to an increase in stress. The formation mechanism of a Lomer-Cottrell sessile dislocation is also studied in detail. Shockley partial dislocations are the dominant mode of plastic deformation behaviors in the metastable FCC phase of the biphasic nanopillar. |
| first_indexed | 2024-04-11T17:25:07Z |
| format | Article |
| id | doaj.art-e5b191dfa95f47229e47f339ca1371c1 |
| institution | Directory Open Access Journal |
| issn | 1516-1439 |
| language | English |
| last_indexed | 2024-04-11T17:25:07Z |
| publishDate | 2020-04-01 |
| publisher | Associação Brasileira de Metalurgia e Materiais (ABM); Associação Brasileira de Cerâmica (ABC); Associação Brasileira de Polímeros (ABPol) |
| record_format | Article |
| series | Materials Research |
| spelling | doaj.art-e5b191dfa95f47229e47f339ca1371c12022-12-22T04:12:21ZengAssociação Brasileira de Metalurgia e Materiais (ABM); Associação Brasileira de Cerâmica (ABC); Associação Brasileira de Polímeros (ABPol)Materials Research1516-14392020-04-0123110.1590/1980-5373-mr-2019-0638Deformation Behavior of Pure Titanium With a Rare HCP/FCC Boundary: An Atomistic StudyJunqiang Renhttps://orcid.org/0000-0002-8843-000XXitong LiuQingfeng LeiQi WangXiaobo ZhangXudong ZhangXuefeng LuHongtao XueYutian DingAbstract The compressive and tensile behaviors in a Ti nanopillar with a biphasic hexagonal close-packed (HCP) /face-centered cubic (FCC) phase boundary are theoretically researched using classic molecular dynamic simulation. The results indicate that the HCP/FCC interface and free surface of the nanopillar are the sources of dislocation nucleation. The plastic deformation is mainly concentrated in the metastable FCC phase of the biphasic nanopillar. Under compressive loading, a reverse phase transformation of FCC to the HCP phase is induced by the dislocation glide of multiple Shockley partial dislocations 1 2 < 1 ¯ 21 >under compressive loading. However, for tensile loading a large number of Lomer-Cottrell sessile dislocations and stacking fault nets are formed when the partial dislocations react, which leads to an increase in stress. The formation mechanism of a Lomer-Cottrell sessile dislocation is also studied in detail. Shockley partial dislocations are the dominant mode of plastic deformation behaviors in the metastable FCC phase of the biphasic nanopillar.http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392020000100218&tlng=enMolecular dynamics simulationTitaniumDislocationsBiphasic nanopillarPhase transformations |
| spellingShingle | Junqiang Ren Xitong Liu Qingfeng Lei Qi Wang Xiaobo Zhang Xudong Zhang Xuefeng Lu Hongtao Xue Yutian Ding Deformation Behavior of Pure Titanium With a Rare HCP/FCC Boundary: An Atomistic Study Materials Research Molecular dynamics simulation Titanium Dislocations Biphasic nanopillar Phase transformations |
| title | Deformation Behavior of Pure Titanium With a Rare HCP/FCC Boundary: An Atomistic Study |
| title_full | Deformation Behavior of Pure Titanium With a Rare HCP/FCC Boundary: An Atomistic Study |
| title_fullStr | Deformation Behavior of Pure Titanium With a Rare HCP/FCC Boundary: An Atomistic Study |
| title_full_unstemmed | Deformation Behavior of Pure Titanium With a Rare HCP/FCC Boundary: An Atomistic Study |
| title_short | Deformation Behavior of Pure Titanium With a Rare HCP/FCC Boundary: An Atomistic Study |
| title_sort | deformation behavior of pure titanium with a rare hcp fcc boundary an atomistic study |
| topic | Molecular dynamics simulation Titanium Dislocations Biphasic nanopillar Phase transformations |
| url | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392020000100218&tlng=en |
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