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  • We use a multiscale approach to study a lattice-gas model of submonolayer growth of Fe/Mo(110) by Molecular Beam Epitaxy. Model is based on our first-principles calculations of the diffusion barrier and adatom interactions. The model is investigated by equilibrium Monte Carlo simulations to compute the diffusion coefficients of Fe islands. Coefficients are then used as input to the coarse-grained kinetic rate equation (KRE) approach. We also developed feasible atomistic kinetic Monte Carlo (KMC) model. We calculate time evolution of the island size distributions by both KMC and KRE methods and find good agreement between the two methods.
  • We use a multiscale approach to study a lattice-gas model of submonolayer growth of Fe/Mo(110) by Molecular Beam Epitaxy. Model is based on our first-principles calculations of the diffusion barrier and adatom interactions. The model is investigated by equilibrium Monte Carlo simulations to compute the diffusion coefficients of Fe islands. Coefficients are then used as input to the coarse-grained kinetic rate equation (KRE) approach. We also developed feasible atomistic kinetic Monte Carlo (KMC) model. We calculate time evolution of the island size distributions by both KMC and KRE methods and find good agreement between the two methods. (en)
Title
  • Multiscale modeling of submonolayer growth for Fe/Mo(110)
  • Multiscale modeling of submonolayer growth for Fe/Mo(110) (en)
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  • Multiscale modeling of submonolayer growth for Fe/Mo(110)
  • Multiscale modeling of submonolayer growth for Fe/Mo(110) (en)
skos:notation
  • RIV/68378271:_____/13:00399250!RIV14-GA0-68378271
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • I, P(GA202/09/0775)
http://linked.open...iv/cisloPeriodika
  • 8
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
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  • 90176
http://linked.open...ai/riv/idVysledku
  • RIV/68378271:_____/13:00399250
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  • Monte Carlo simulations; kinetic rate equations; total energy calculations; epitaxial growth; cluster diffusion; island growth (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • DE - Spolková republika Německo
http://linked.open...ontrolniKodProRIV
  • [ABF140DA6704]
http://linked.open...i/riv/nazevZdroje
  • European Physical Journal B
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  • 86
http://linked.open...iv/tvurceVysledku
  • Kotrla, Miroslav
  • Mašín, Martin
  • Ala-Nissila, T.
  • Asta, M.
  • Jahma, M. O.
  • Yang, B.
http://linked.open...ain/vavai/riv/wos
  • 000323742400022
issn
  • 1434-6028
number of pages
http://bibframe.org/vocab/doi
  • 10.1140/epjb/e2013-40440-5
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