Article ; Online: Atomic structure, tensile property, and dislocation behavior of Fe-W interfaces from molecular dynamics simulation.
Journal of physics. Condensed matter : an Institute of Physics journal
2021 Volume 33, Issue 14
Abstract: Molecular dynamic simulations based on a recently constructed potential reveal that quasi-repeating patterns could appear in both Fe(110)/W(110) and W(110)/Fe(110) interfaces, and that three kinds of atomic displacements of Fe atoms because of the Fe-W ... ...
| Abstract | Molecular dynamic simulations based on a recently constructed potential reveal that quasi-repeating patterns could appear in both Fe(110)/W(110) and W(110)/Fe(110) interfaces, and that three kinds of atomic displacements of Fe atoms because of the Fe-W interaction intrinsically bring about the interesting quasi-repeating patterns of the Fe-W interfaces. It is also found that the Fe-W interface becomes more brittle with less critical strains under tensile loading than pure Fe or W, which is fundamentally attributed to the movement of the interface dislocations as a result of the lattice mismatch between Fe and W. Interestingly, the dislocation loops could be formed in the Fe-W interface under tensile loading due to the pinning of the100edge dislocations by the edge dislocations of1/2111, whereas no dislocation loop would be generated in pure Fe or W. |
|---|---|
| Language | English |
| Publishing date | 2021-02-02 |
| Publishing country | England |
| Document type | Journal Article |
| ZDB-ID | 1472968-4 |
| ISSN | 1361-648X ; 0953-8984 |
| ISSN (online) | 1361-648X |
| ISSN | 0953-8984 |
| DOI | 10.1088/1361-648X/abdb66 |
| Database | MEDical Literature Analysis and Retrieval System OnLINE |
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