Zobrazeno 1 - 10
of 32
pro vyhledávání: '"Baibuz, Ekaterina"'
Although atomic diffusion on metal surfaces under high electric fields has been studied theoretically and experimentally since the 1970s, its accurate and quantitative theoretical description remains a significant challenge. In our previous work, we
Externí odkaz:
http://arxiv.org/abs/2201.03460
Autor:
Jansson, Ville, Baibuz, Ekaterina, Kyritsakis, Andreas, Vigonski, Simon, Zadin, Vahur, Parviainen, Stefan, Aabloo, Alvo, Djurabekova, Flyura
Publikováno v:
Nanotechnology 31 355301 (2020)
In this work we show using atomistic simulations that the biased diffusion in high electric field gradients creates a mechanism whereby nanotips may start growing from small surface asperities. It has long been known that atoms on a metallic surface
Externí odkaz:
http://arxiv.org/abs/1909.05825
Autor:
Jansson, Ville, Kyritsakis, Andreas, Vigonski, Simon, Baibuz, Ekaterina, Zadin, Vahur, Aabloo, Alvo, Djurabekova, Flyura
Publikováno v:
Modelling Simul. Mater. Sci. Eng. 28 035011 (2020)
We have calculated the migration barriers for surface diffusion on Tungsten. Our results form a self-sufficient parameterization for Kinetic Monte Carlo simulations of arbitrarily rough atomic tungsten surfaces, as well as nanostructures such as nano
Externí odkaz:
http://arxiv.org/abs/1909.03519
Publikováno v:
Phys. Rev. B 99, 205418 (2019)
Combining classical electrodynamics and density functional theory (DFT) calculations, we develop a general and rigorous theoretical framework that describes the energetics of metal surfaces under high electric fields. We show that the behavior of a s
Externí odkaz:
http://arxiv.org/abs/1808.07782
Autor:
Kimari, Jyri, Jansson, Ville, Vigonski, Simon, Baibuz, Ekaterina, Domingos, Roberto, Zadin, Vahur, Djurabekova, Flyura
Publikováno v:
Data in Brief 32, 106094 (2020)
Kinetic Monte Carlo (KMC) is an efficient method for studying diffusion. A limiting factor to the accuracy of KMC is the number of different migration events allowed in the simulation. Each event requires its own migration energy barrier. The calcula
Externí odkaz:
http://arxiv.org/abs/1806.03062
Autor:
Kimari, Jyri, Jansson, Ville, Vigonski, Simon, Baibuz, Ekaterina, Domingos, Roberto, Zadin, Vahur, Djurabekova, Flyura
Publikováno v:
Computational Materials Science 183, 109789 (2020)
Kinetic Monte Carlo (KMC) is a powerful method for simulation of diffusion processes in various systems. The accuracy of the method, however, relies on the extent of details used for the parameterization of the model. Migration barriers are often use
Externí odkaz:
http://arxiv.org/abs/1806.02976
Autor:
Vigonski, Simon, Jansson, Ville, Vlassov, Sergei, Polyakov, Boris, Baibuz, Ekaterina, Oras, Sven, Aabloo, Alvo, Djurabekova, Flyura, Zadin, Vahur
Publikováno v:
Simon Vigonski et al 2018 Nanotechnology 29 015704
Metallic nanowires are known to break into shorter fragments due to the Rayleigh instability mechanism. This process is strongly accelerated at elevated temperatures and can completely hinder the functioning of nanowire-based devices like e.g. transp
Externí odkaz:
http://arxiv.org/abs/1709.09104
Publikováno v:
Ville Jansson, Ekaterin Baibuz, Andreas Kyritsakis, and Flyura Djurabekova. Adatom diffusion in high electric fields. In 2017 30th International Vacuum Nanoelectronics Conference (IVNC), pages 40-41. IEEE, 2017. ISBN 978-1-5090-3973-9
Strong electric fields are known to create biased adatom migration on metallic surfaces. We present a Kinetic Monte Carlo model that can simulate adatom migration on a tungsten (W) surface in electric fields. We validate our model by using it to calc
Externí odkaz:
http://arxiv.org/abs/1709.04694
Autor:
Baibuz, Ekaterina, Vigonski, Simon, Lahtinen, Jyri, Zhao, Junlei, Jansson, Ville, Zadin, Vahur, Djurabekova, Flyura
Publikováno v:
Computational Materials Science, Volume 146, 15 April 2018, Pages 287-302
Atomistic rigid lattice Kinetic Monte Carlo is an efficient method for simulating nano-objects and surfaces at timescales much longer than those accessible by molecular dynamics. A laborious part of constructing any Kinetic Monte Carlo model is, howe
Externí odkaz:
http://arxiv.org/abs/1707.05765
Publikováno v:
V Jansson, E Baibuz, F Djurabekova, 2016 Nanotechnology 27 265708
Sharp nanoscale tips on metal surfaces of electrodes enhance locally applied electric fields. Strongly enhanced electric fields trigger electron field emission and atom evaporation from the apexes of the nanotips. Combined together, these processes m
Externí odkaz:
http://arxiv.org/abs/1508.06870