Adhesion at a heterophase interface: First-principles study of Mo(001)/MoSi 2 (001)
dc.contributor.author | Hong, T. | en_US |
dc.contributor.author | Smith, J. R. | en_US |
dc.contributor.author | Srolovitz, David J. | en_US |
dc.date.accessioned | 2006-09-11T17:15:18Z | |
dc.date.available | 2006-09-11T17:15:18Z | |
dc.date.issued | 1994-09 | en_US |
dc.identifier.citation | Hong, T.; Smith, J. R.; Srolovitz, D. J.; (1994). "Adhesion at a heterophase interface: First-principles study of Mo(001)/MoSi 2(001)." Interface Science 1 (3): 223-235. <http://hdl.handle.net/2027.42/45997> | en_US |
dc.identifier.issn | 0927-7056 | en_US |
dc.identifier.issn | 1573-2746 | en_US |
dc.identifier.uri | https://hdl.handle.net/2027.42/45997 | |
dc.description.abstract | The bonding characteristics, interfacial energetics, and electronic structure associated with adhesion at the Mo-MoSi 2 (001) heterophase interface are investigated using the first-principles, self-consistent local orbital method. We found both the adhesive energy and peak interfacial strength for the interface to be 10%-15% smaller than the respective values for cleavage along the (001) planes in crystalline Mo and MoSi 2 . The equilibrium interlayer separation between Mo and MoSi 2 is found to lie between the interplanar spacings of crystalline Mo and MoSi 2 . The interfacial adhesive bonding is attributable to the combination of a nearly uniform band of charge accumulation at the interface and directional charge accumulation between atoms across the interface. These first-principles calculations demonstrate that the universal-binding-energy relation can be extended to describe adhesion between dissimilar materials. | en_US |
dc.format.extent | 999521 bytes | |
dc.format.extent | 3115 bytes | |
dc.format.mimetype | application/pdf | |
dc.format.mimetype | text/plain | |
dc.language.iso | en_US | |
dc.publisher | Kluwer Academic Publishers; Springer Science+Business Media | en_US |
dc.subject.other | Engineering | en_US |
dc.subject.other | Materials Processing, Characterization, and Design | en_US |
dc.subject.other | Adhesion | en_US |
dc.subject.other | Heterophase Interface | en_US |
dc.subject.other | First-principles Electronic Structure Calculations | en_US |
dc.title | Adhesion at a heterophase interface: First-principles study of Mo(001)/MoSi 2 (001) | en_US |
dc.type | Article | en_US |
dc.subject.hlbsecondlevel | Chemical Engineering | en_US |
dc.subject.hlbsecondlevel | Chemistry | en_US |
dc.subject.hlbsecondlevel | Materials Science and Engineering | en_US |
dc.subject.hlbsecondlevel | Biological Chemistry | en_US |
dc.subject.hlbtoplevel | Science | en_US |
dc.subject.hlbtoplevel | Engineering | en_US |
dc.subject.hlbtoplevel | Health Sciences | en_US |
dc.description.peerreviewed | Peer Reviewed | en_US |
dc.contributor.affiliationum | Department of Materials Science and Engineering, University of Michigan, 48109-2136, Ann Arbor, MI | en_US |
dc.contributor.affiliationum | Department of Materials Science and Engineering, University of Michigan, 48109-2136, Ann Arbor, MI | en_US |
dc.contributor.affiliationother | Physics Department, General Motors Research and Development Center, 48090-9055, Warren, MI | en_US |
dc.contributor.affiliationumcampus | Ann Arbor | en_US |
dc.description.bitstreamurl | http://deepblue.lib.umich.edu/bitstream/2027.42/45997/1/10793_2004_Article_BF00198149.pdf | en_US |
dc.identifier.doi | http://dx.doi.org/10.1007/BF00198149 | en_US |
dc.identifier.source | Interface Science | en_US |
dc.owningcollname | Interdisciplinary and Peer-Reviewed |
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