Kinetic lattice Monte-Carlo simulations on the ordering kinetics of free and supported FePt L10-nanoparticles
The ordering kinetics in free and supported L10 nanoparticles was studied by means of lattice-based kinetic Monte-Carlo simulations. Starting from a fully disordered particle of Wulff shape, the simulations show that the nucleation of ordered domains is starting quickly on various (100) facets but i...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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Beilstein-Institut
2011-01-01
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| Series: | Beilstein Journal of Nanotechnology |
| Subjects: | |
| Online Access: | https://doi.org/10.3762/bjnano.2.5 |
| _version_ | 1819089991100268544 |
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| author | Michael Müller Karsten Albe |
| author_facet | Michael Müller Karsten Albe |
| author_sort | Michael Müller |
| collection | DOAJ |
| description | The ordering kinetics in free and supported L10 nanoparticles was studied by means of lattice-based kinetic Monte-Carlo simulations. Starting from a fully disordered particle of Wulff shape, the simulations show that the nucleation of ordered domains is starting quickly on various (100) facets but is retarded in the particle volume due to the lack of vacancies compared with a thin film geometry. If a substrate is present, we do not find significant differences in the ordering behavior. This holds true, even if we impose a massively increased thermodynamic driving force for interface segregation, because the nucleation of ordered domains on free facets is significantly faster than the bulk diffusion of the segregating species to the interface. In cases where wetting of the substrate or surface facetting occurs, we find that diffusional atomic motion on the surface goes along with an enhanced long-range order. |
| first_indexed | 2024-12-21T22:16:43Z |
| format | Article |
| id | doaj.art-c1dda73126c840599c130a0d66a190f2 |
| institution | Directory Open Access Journal |
| issn | 2190-4286 |
| language | English |
| last_indexed | 2024-12-21T22:16:43Z |
| publishDate | 2011-01-01 |
| publisher | Beilstein-Institut |
| record_format | Article |
| series | Beilstein Journal of Nanotechnology |
| spelling | doaj.art-c1dda73126c840599c130a0d66a190f22022-12-21T18:48:26ZengBeilstein-InstitutBeilstein Journal of Nanotechnology2190-42862011-01-0121404610.3762/bjnano.2.52190-4286-2-5Kinetic lattice Monte-Carlo simulations on the ordering kinetics of free and supported FePt L10-nanoparticlesMichael Müller0Karsten Albe1Institut für Materialwissenschaft, Technische Universität Darmstadt, Petersenstr. 32, D-64287 Darmstadt, GermanyInstitut für Materialwissenschaft, Technische Universität Darmstadt, Petersenstr. 32, D-64287 Darmstadt, GermanyThe ordering kinetics in free and supported L10 nanoparticles was studied by means of lattice-based kinetic Monte-Carlo simulations. Starting from a fully disordered particle of Wulff shape, the simulations show that the nucleation of ordered domains is starting quickly on various (100) facets but is retarded in the particle volume due to the lack of vacancies compared with a thin film geometry. If a substrate is present, we do not find significant differences in the ordering behavior. This holds true, even if we impose a massively increased thermodynamic driving force for interface segregation, because the nucleation of ordered domains on free facets is significantly faster than the bulk diffusion of the segregating species to the interface. In cases where wetting of the substrate or surface facetting occurs, we find that diffusional atomic motion on the surface goes along with an enhanced long-range order.https://doi.org/10.3762/bjnano.2.5FePtMonte-Carlo simulationsnanoparticlesordering kinetics |
| spellingShingle | Michael Müller Karsten Albe Kinetic lattice Monte-Carlo simulations on the ordering kinetics of free and supported FePt L10-nanoparticles Beilstein Journal of Nanotechnology FePt Monte-Carlo simulations nanoparticles ordering kinetics |
| title | Kinetic lattice Monte-Carlo simulations on the ordering kinetics of free and supported FePt L10-nanoparticles |
| title_full | Kinetic lattice Monte-Carlo simulations on the ordering kinetics of free and supported FePt L10-nanoparticles |
| title_fullStr | Kinetic lattice Monte-Carlo simulations on the ordering kinetics of free and supported FePt L10-nanoparticles |
| title_full_unstemmed | Kinetic lattice Monte-Carlo simulations on the ordering kinetics of free and supported FePt L10-nanoparticles |
| title_short | Kinetic lattice Monte-Carlo simulations on the ordering kinetics of free and supported FePt L10-nanoparticles |
| title_sort | kinetic lattice monte carlo simulations on the ordering kinetics of free and supported fept l10 nanoparticles |
| topic | FePt Monte-Carlo simulations nanoparticles ordering kinetics |
| url | https://doi.org/10.3762/bjnano.2.5 |
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