Atomic structure, tensile property, and dislocation behavior of Fe-W interfaces from molecular dynamics simulation.
J Phys Condens Matter
; 33(14)2021 Feb 02.
Article
en En
| MEDLINE
| ID: mdl-33440362
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.
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MEDLINE
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En
Revista:
J Phys Condens Matter
Asunto de la revista:
BIOFISICA
Año:
2021
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Article