- Title
- Relaxed atomic structure of the interphase boundary in a 'hemispherical nanoparticle-crystal' heterogeneous system
- Creator
- Evteev, A. V.; Levlev, V. M.; Kosilov, A.T.; Prizhimov, A. S.
- Relation
- Physics of the Solid State Vol. 49, Issue 4, p. 785-790
- Publisher Link
- http://dx.doi.org/10.1134/S1063783407040312
- Publisher
- Springer
- Resource Type
- journal article
- Date
- 2007
- Description
- The structure of an fcc(001)/fcc(001) interphase boundary in a “nickel hemispherical crystal nanoparticle-palladium crystal substrate” system is investigated using molecular dynamics simulation with multiparticle potentials calculated in the framework of the embedded-atom method as a function of the angle of rotation of the nanoparticle. Relaxation transformations are found to occur in a component of the system under investigation with a larger lattice parameter. It is demonstrated that, under given annealing conditions, the system is characterized by a size dependence of the angle of rotation of a nanoparticle: the annealing leaves the location of large islands virtually unchanged but brings about a rotation of small nanoparticles into a parallel orientation or an orientation with a local energy minimum.
- Subject
- molecular dynamics; nanoparticles; molecular rotation; molecular relaxation; lattice gauge theories; atomic structure
- Identifier
- http://hdl.handle.net/1959.13/34007
- Identifier
- uon:3463
- Identifier
- ISSN:1063-7834
- Language
- eng
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