Výsledky vyhledávání - "E. E. Tornau"

Kinetic Monte Carlo modeling of reaction-induced phase separation in Au/Ni(111) surface alloy

Autor: G. Zvejnieks, A. Ibenskas, E. E. Tornau

Publikováno v: Surface and Coatings Technology. 255:15-21

Kinetic Monte Carlo (KMC) simulations of Au–Ni phase separation in Au/Ni(111) surface alloy during nickel carbonyl formation reaction were performed at room temperature by taking into account realistic rates of Au and Ni adatom diffusion and CO ads

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::73ca2758e7f69885518ee5ea7bea919e
https://doi.org/10.1016/j.surfcoat.2013.11.002

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Simulation of Relaxation Times Distribution for Relaxors using Distribution of Three-Dimensional Ising-Type Clusters

Autor: Robertas Grigalaitis, J. Banys, Saulius Lapinskas, E. E. Tornau

Publikováno v: Ferroelectrics. 415:40-50

Using n-fold way dynamic algorithm we have studied the dynamical decay of the autocorrelation function of 3D clusters composed of Ising-type dipoles. Trying to reproduce the situation in real ferroelectric materials, we (i) instead of Glauber dynamic

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::c49150ae67a7e1c3fa5a627ae2fa1763
https://doi.org/10.1080/00150193.2011.577370

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Ising Model with Long Range Interactions: Phase Diagram and Transition Order of Stripe Structures

Autor: V. Petrauskas, A. Joknys, E. E. Tornau

Publikováno v: Ferroelectrics. 379:128-135

Monte Carlo simulation of phase transitions to antiferromagnetic stripe phases are performed for square and triangular lattices. We employed Ising model with competing ferromagnetic nearest neighbour and antiferromagnetic dipolar interactions and cal

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::e6d4226d885f1646c4dfb6da64ba7c9a
https://doi.org/10.1080/00150190902851911

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Relaxation Times Obtained From Dynamical Decay Function of 1D and 3D Ising Model

Autor: J. Banys, Robertas Grigalaitis, E. E. Tornau, Saulius Lapinskas

Publikováno v: Ferroelectrics. 378:63-69

We calculated the dynamical decay of the autocorrelation function of 1D and 3D systems of Ising spins. The calculations were performed by Monte Carlo method for different size domains and at different temperature. Analyzing autocorrelation functions

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::ed42a5732faa8d7efe354048d4dfeabb
https://doi.org/10.1080/00150190902845103

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Simulation of Hydrogen-Induced Reconstruction of Oxygen on Pd(111)

Autor: E. E. Tornau, V. Petrauskas

Publikováno v: Acta Physica Polonica A. 113:1075-1078

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 wat

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d97c8b396fa96ee12dffbbe3f48adb58
https://doi.org/10.12693/aphyspola.113.1075

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Simulation of Reaction-Induced Phase Separation in Surface Alloy

Autor: E. E. Tornau, G. Zvejnieks

Publikováno v: Acta Physica Polonica A. 113:1099-1102

Using kinetic Monte Carlo method we simulate the dynamics of biatomic Au0.3Ni0.7 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

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::fd6054d56dad6a6edcec56ba99010656
https://doi.org/10.12693/aphyspola.113.1099

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Two-phase structure of ultra-thin La–Sr–MnO films

Autor: N. Žurauskienė, Maciej Sawicki, V. Petrauskas, P. Cimmperman, M. Aleszkiewicz, E. E. Tornau, V. Plaušinaitienė, Tomasz Dietl, Saulius Balevicius, Voitech Stankevic, Adulfas Abrutis

Publikováno v: Thin Solid Films. 515:691-694

The structural, electrical and magnetic properties of ultra-thin La 0.83 Sr 0.17 MnO 3 (LSMO) films, deposited on NdGaO 3 substrate by using the MOCVD technique, were studied. The film thickness d varied in the range from 4 to 140 nm. X-ray and RHEED

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::90b5785fd2d071d396d579defc3d020e
https://doi.org/10.1016/j.tsf.2005.12.240

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Surface phase transitions at O and CO catalytic reaction on Pd(111)

Autor: G. Zvejnieks, E. E. Tornau, V. Petrauskas

Publikováno v: Catalysis Today. 116:62-68

The model has been proposed to simulate numerically the reaction O + CO → CO2 and occurring phase transitions on Pd(1 1 1) surface. We calculate the phase diagram for this system by kinetic Monte Carlo method. It shows the phase transitions p ( 2 �

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::3ec6e1c612b3fc3b33424119ffaa47f7
https://doi.org/10.1016/j.cattod.2006.02.081

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Modelling of phase transitions and reaction at CO adsorption on oxygen precovered Pd(111)

Autor: E. E. Tornau, V. Petrauskas, V.N. Kuzovkov, G. Zvejnieks

Publikováno v: Applied Surface Science. 252:5395-5398

Using the interaction parameters up to the third neighbors and activated form of O and CO diffusion and their reaction, the model has been proposed for Monte-Carlo simulations describing the catalytic O + CO → CO2 reaction and occurring phase trans

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0695a29f2c8f29f1a1b55cb22aac8783
https://doi.org/10.1016/j.apsusc.2005.12.048

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