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1
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Magnetic Stripes on Hexagonal Lattice with Competing Exchange and Dipole-Dipole Interactions

100%
Joknys A., Tornau E.
Acta Physica Polonica A
|
2008
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vol. 113
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issue 3
951-954
EN
We obtained the phase diagram for the Ising model with competing exchange and dipolar interactions on 2D hexagonal lattice. By using histogram method we determined the order of the phase transition from isotropic stripe phase to low-temperature anisotropic stripe phases AFh of different stripe widths h. The first order phase transition was found to AF1 and AF2 phases and the second order - to AF3 and AF4 phases. We have also found that in AF1 phase stripe domain grows with time as t^{0.5}. In phases AF3 and AF4 stripe domain growth is proportional to log t.
2
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Simulation of Hydrogen-Induced Reconstruction of Oxygen on Pd(111)

100%
Petrauskas V., Tornau E.
|
EN
The oxygen and hydrogen atoms co-adsorption experiment on Pd(111) is modelled using kinetic Monte Carlo method. We consider O-O, H-H, and O-H interactions and several kinetic processes (diffusion, surface and subsurface H-atoms exchange and water-formation reaction) leading to the phase transition (2×2)_O → (√3×√3)_O with increase in H-coverage. We also demonstrate how reverse phase transition (√3×√3)_O → (2×2)_O occurs due to hydrogen dissolution into subsurface in the absence of hydrogen gas. At higher temperature we observe the disappearance of (2×2)_O oxygen islands due to water-formation reaction.
3
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Simulation of Reaction-Induced Phase Separation in Surface Alloy

100%
Zvejnieks G., Tornau E.
Acta Physica Polonica A
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2008
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vol. 113
|
issue 3
1099-1102
EN
Using kinetic Monte Carlo method we simulate the dynamics of biatomic Au_{0.3}Ni_{0.7} surface alloy separation on Ni(111) due to Ni(CO)_4 out-reaction. The experiment of Vestergaard et al. is modeled by counterbalancing dynamical processes and interactions between reactants. The simulations demonstrate step flow rate increase with CO coverage, c_{CO}, in qualitative agreement with the experiment only for c_{CO} ≲ 0.45 monolayer. Moreover, we demonstrate both CO influence on reaction process and Au domain formation.
4
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Modelling of SubPc Self-Assembly on Ag(111)

81%
Petrauskas V., Tornau E., Lapinskas S.
Acta Physica Polonica A
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2005
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vol. 107
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issue 2
388-391
EN
The ordering of subphthalocyanine molecules into honeycomb and hexagonal close packed patterns on Ag(111) is described using complex Lennard-Jones-type intermolecular potential. We rescale Ag(111) lattice, and take into account an infinite exclusion of first, second, and third neighbours, attraction - of fourth and fifth, and repulsion - of sixth and seventh. The phase diagram is obtained by the lattice gas model using Monte Carlo simulations. Very strong first order phase transitions, causing the two-phase co-existence, are found between disordered and honeycomb as well as between disordered and hexagonal closed packed phases.
5
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Effect of Surface Anisotropy in Core-Shell Bimetallic Nanoparticles

81%
Tornau E., Petrauskas V., Crisan O.
Acta Physica Polonica A
|
2005
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vol. 107
|
issue 2
425-428
EN
Temperature dependences of magnetization of core-shell-type nanoparticles with non-magnetic core and ferromagnetic shell are obtained using Monte Carlo simulation. The influence of surface spin disorder of the ferromagnetic shell on overall shape of magnetization curve is analyzed. The magnetic state diagram (in shell thickness - surface anisotropy coordinates), separating collinear and non-collinear states, is determined.
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