6533b835fe1ef96bd129f508
RESEARCH PRODUCT
Molecular dynamics simulations of nanometric metallic multilayers: Reactivity of the Ni-Al system
Florence BarasOlivier Politanosubject
010302 applied physicsMaterials scienceNanotechnology02 engineering and technologyType (model theory)021001 nanoscience & nanotechnologyCondensed Matter PhysicsMicrostructure01 natural sciencesElectronic Optical and Magnetic MaterialsMetalMolecular dynamicsChemical physicsvisual_artPhase (matter)0103 physical sciencesvisual_art.visual_art_medium[PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci]Reactivity (chemistry)PACS: 64.70.Nd 02.70.Ns 68.35.bdDiffusion (business)0210 nano-technologyLayer (electronics)description
The reactivity of a layered Ni-Al-Ni system is studied by means of molecular dynamics simulations, using an embedded-atom method type potential. The system, made of an fcc-Al layer embedded in fcc-Ni, is initially thermalized at the fixed temperature of 600 K. The early interdiffusion of Ni and Al at interfaces is followed by the massive diffusion of Ni in the Al layer and by the spontaneous phase formation of $B2$-NiAl. The solid-state reaction is associated with a rapid system heating, which further enhances the diffusion processes. For longer times, the system may partly lose some its $B2$-NiAl microstructure in favor of the formation of $L{1}_{2}$-${\mathrm{Ni}}_{3}\mathrm{Al}$. This stage is controlled by the diffusion of Al in the Ni-rich phase, and a layer-by-layer development of the new phase is observed.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2011-07-12 |