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Prediction of strong adhesion at the MoSi2/Fe interface by D.E. Jiang; Emily A. Carter is a Engineering article available to read on EtoBox.
What is Prediction of strong adhesion at the MoSi2/Fe interface about?
We report a spin-polarized periodic density functional theory investigation of the atomic structure, bonding, and ideal work of adhesion of the MoSi 2 /Fe interface, in order to explore the potential of MoSi 2 as a protective coating for steel. We find that MoSi 2 strongly adheres to Fe, with an ideal work of adhesion of $3.85 J/m 2 for two low-index, low-strain interfaces. This value will be a lower bound to measured adhesion energies, since the latter will be larger due to plasticity. This ideal adhesion energy for a ceramic coating to Fe is much stronger than predicted previously for ceramic coating materials such as ZrC and TiC. We attribute this stronger adhesion to increased covalent interfacial bonding for MoSi 2 /Fe compared to metal carbide/Fe interfaces (where metallic bonding plays a larger role), as evidenced by the rearrangement of electron density and the character of the local density of states upon formation of the interface.
Who reads Prediction of strong adhesion at the MoSi2/Fe interface?
It is typically read by researchers, students, and practitioners in Engineering.
- Author
- D.E. Jiang; Emily A. Carter
- Publisher
- Elsevier Science; Elsevier ; Elsevier BV (ISSN 1359-6454)
- Published
- 2005
- Language
- EN
- Field
- Engineering (Physical Sciences)