Data science of the in silico crystallization

AV Redkov - Acta Materialia, 2025 - Elsevier
A data-driven approach is used to describe the growth of crystals and thin films based on
high-throughput numerical experiments. This way the Machine Learning (ML) helps to …

Step bunching with both directions of the current: Vicinal W (110) surfaces versus atomistic-scale model

O Toktarbaiuly, V Usov, C Ó Coileáin, K Siewierska… - Physical Review B, 2018 - APS
We report the observation of bunching of monoatomic steps on vicinal W (110) surfaces
induced by step-up or step-down currents across the steps. Measurements reveal that the …

Analyzing the Pattern Formation on Vicinal Surfaces in Diffusion-Limited and Kinetics-Limited Growth Regimes: The Effect of Step–Step Exclusion

H Popova - Crystal Growth & Design, 2023 - ACS Publications
The effect of step–step exclusion on growing vicinal surfaces destabilized by a step-up (SU)
or step-down (SD) driving force is extensively studied in diffusion-limited (DL) and kinetics …

Scaling and dynamic stability of model vicinal surfaces

F Krzyżewski, M Załuska-Kotur, A Krasteva… - Crystal Growth & …, 2018 - ACS Publications
We propose an integrated modeling approach to the fundamental problem of vicinal crystal
surfaces destabilized by step-down (SD) and step-up (SU) currents with focus on both the …

Step bunching and macrostep formation in 1D atomistic scale model of unstable vicinal crystal growth

F Krzyżewski, M Załuska-Kotur, A Krasteva… - Journal of Crystal …, 2017 - Elsevier
We devise a new 1D atomistic scale model of vicinal growth based on Cellular Automaton.
In it the step motion is realized by executing the automaton rule prescribing how adatoms …

Quantifying the Effect of Step–Step Exclusion on Dynamically Unstable Vicinal Surfaces: Step Bunching without Macrostep Formation

H Popova, F Krzyżewski… - Crystal Growth & …, 2020 - ACS Publications
The bunching of steps at the surface of growing and sublimating crystals can be induced by
both directions of the electromigration force acting on the adatoms, step-up and step-down …

Unstable vicinal crystal growth from cellular automata

A Krasteva, H Popova, F Krzyżewski… - AIP Conference …, 2016 - pubs.aip.org
In order to study the unstable step motion on vicinal crystal surfaces we devise vicinal
Cellular Automata. Each cell from the colony has value equal to its height in the vicinal …

Time scaling relations for step bunches from models with step-step attractions (B1-type models)

A Krasteva, H Popova, N Akutsu… - AIP Conference …, 2016 - pubs.aip.org
The step bunching instability is studied in three models of step motion defined in terms of
ordinary differential equations (ODE). The source of instability in these models is step-step …

Scaling laws for step bunching on vicinal surfaces: Role of the dynamical and chemical effects

L Benoit–Maréchal, ME Jabbour, N Triantafyllidis - Physical Review E, 2021 - APS
We study the evolution of step bunches on vicinal surfaces using a thermodynamically
consistent step-flow model. By accounting for the dynamics of adatom diffusion on terraces …

Scaling of the minimal step-step distance with the step-bunch size: Theoretical predictions and experimental findings

K Siewierska, V Tonchev - 日本結晶成長学会誌, 2016 - jstage.jst.go.jp
We review the studies on the scaling of the minimal step-step distance lmin in the bunch with
the bunch size N, lmin∝ N-γ. We build our retrospective around the different values of the …