Brittle-fracture simulations of curved cleavage cracks in α-iron: A molecular dynamics study
Although body-centered-cubic (bcc) metals and alloys are ubiquitous as structural materials, they are brittle, particularly at low temperatures; however, the mechanism of their brittle fracture is not fully understood. In this study, we conduct a series of three-dimensional molecular dynamics simula...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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AIP Publishing LLC
2020-11-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/5.0026659 |
| _version_ | 1819056612509220864 |
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| author | T. Suzudo K. Ebihara T. Tsuru |
| author_facet | T. Suzudo K. Ebihara T. Tsuru |
| author_sort | T. Suzudo |
| collection | DOAJ |
| description | Although body-centered-cubic (bcc) metals and alloys are ubiquitous as structural materials, they are brittle, particularly at low temperatures; however, the mechanism of their brittle fracture is not fully understood. In this study, we conduct a series of three-dimensional molecular dynamics simulations of the cleavage fracture of α-iron. In particular, we focus on mode-I loading starting from curved crack fronts or the so-called penny-shaped cracks. In the simulations, brittle fractures are observed at cleavages on the {100} plane, while the initial cracks become blunted on other planes as a result of dislocation emissions. Our modeling results agreed with a common experimental observation, that is, {100} is the preferential cleavage plane in bcc transition metals. In addition, dislocation emissions from the crack front were analyzed; the result supported the notion that plasticity in the vicinity of the crack front determines the preferential cleavage plane. |
| first_indexed | 2024-12-21T13:26:11Z |
| format | Article |
| id | doaj.art-ce152ad490084d11bc490ccc18bffb92 |
| institution | Directory Open Access Journal |
| issn | 2158-3226 |
| language | English |
| last_indexed | 2024-12-21T13:26:11Z |
| publishDate | 2020-11-01 |
| publisher | AIP Publishing LLC |
| record_format | Article |
| series | AIP Advances |
| spelling | doaj.art-ce152ad490084d11bc490ccc18bffb922022-12-21T19:02:26ZengAIP Publishing LLCAIP Advances2158-32262020-11-011011115209115209-810.1063/5.0026659Brittle-fracture simulations of curved cleavage cracks in α-iron: A molecular dynamics studyT. Suzudo0K. Ebihara1T. Tsuru2Center for Computational Science and e-Systems, Japan Atomic Energy Agency, Tokai-mura, Ibaraki 319-1195, JapanCenter for Computational Science and e-Systems, Japan Atomic Energy Agency, Tokai-mura, Ibaraki 319-1195, JapanNuclear Engineering Research Center, Japan Atomic Energy Agency, Tokai-mura, Ibaraki 319-1195, JapanAlthough body-centered-cubic (bcc) metals and alloys are ubiquitous as structural materials, they are brittle, particularly at low temperatures; however, the mechanism of their brittle fracture is not fully understood. In this study, we conduct a series of three-dimensional molecular dynamics simulations of the cleavage fracture of α-iron. In particular, we focus on mode-I loading starting from curved crack fronts or the so-called penny-shaped cracks. In the simulations, brittle fractures are observed at cleavages on the {100} plane, while the initial cracks become blunted on other planes as a result of dislocation emissions. Our modeling results agreed with a common experimental observation, that is, {100} is the preferential cleavage plane in bcc transition metals. In addition, dislocation emissions from the crack front were analyzed; the result supported the notion that plasticity in the vicinity of the crack front determines the preferential cleavage plane.http://dx.doi.org/10.1063/5.0026659 |
| spellingShingle | T. Suzudo K. Ebihara T. Tsuru Brittle-fracture simulations of curved cleavage cracks in α-iron: A molecular dynamics study AIP Advances |
| title | Brittle-fracture simulations of curved cleavage cracks in α-iron: A molecular dynamics study |
| title_full | Brittle-fracture simulations of curved cleavage cracks in α-iron: A molecular dynamics study |
| title_fullStr | Brittle-fracture simulations of curved cleavage cracks in α-iron: A molecular dynamics study |
| title_full_unstemmed | Brittle-fracture simulations of curved cleavage cracks in α-iron: A molecular dynamics study |
| title_short | Brittle-fracture simulations of curved cleavage cracks in α-iron: A molecular dynamics study |
| title_sort | brittle fracture simulations of curved cleavage cracks in α iron a molecular dynamics study |
| url | http://dx.doi.org/10.1063/5.0026659 |
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