Migration barriers for surface diffusion on a rigid lattice: Challenges and solutions

Research output: Contribution to journalArticleScientificpeer-review

Original languageEnglish
JournalComputational Materials Science
Volume146
Pages (from-to)287-302
Number of pages16
ISSN0927-0256
DOIs
Publication statusPublished - 15 Apr 2018
MoE publication typeA1 Journal article-refereed

Fields of Science

  • Copper
  • Iron
  • Kinetic Monte Carlo
  • Surface diffusion
  • Rigid lattice
  • Migration barriers
  • Atomic jumps
  • MOLECULAR-DYNAMICS
  • VACANCY
  • IRON
  • CORRECTED EFFECTIVE-MEDIUM
  • CLUSTER-EXPANSION
  • FINDING SADDLE-POINTS
  • MONTE-CARLO SIMULATIONS
  • RANGE
  • FE
  • 114 Physical sciences

Cite this

@article{c43a17730edf40f48021b54624f8c249,
title = "Migration barriers for surface diffusion on a rigid lattice: Challenges and solutions",
keywords = "Copper, Iron, Kinetic Monte Carlo, Surface diffusion, Rigid lattice, Migration barriers, Atomic jumps, MOLECULAR-DYNAMICS, VACANCY, IRON, CORRECTED EFFECTIVE-MEDIUM, CLUSTER-EXPANSION, FINDING SADDLE-POINTS, MONTE-CARLO SIMULATIONS, RANGE, FE, 114 Physical sciences",
author = "Ekaterina Baibuz and Simon Vigonski and Jyri Lahtinen and Junlei Zhao and Ville Jansson and Vahur Zadin and Flyura Djurabekova",
year = "2018",
month = "4",
day = "15",
doi = "10.1016/j.commatsci.2017.12.054",
language = "English",
volume = "146",
pages = "287--302",
journal = "Computational Materials Science",
issn = "0927-0256",
publisher = "Elsevier B. V.",

}

TY - JOUR

T1 - Migration barriers for surface diffusion on a rigid lattice

T2 - Challenges and solutions

AU - Baibuz, Ekaterina

AU - Vigonski, Simon

AU - Lahtinen, Jyri

AU - Zhao, Junlei

AU - Jansson, Ville

AU - Zadin, Vahur

AU - Djurabekova, Flyura

PY - 2018/4/15

Y1 - 2018/4/15

KW - Copper

KW - Iron

KW - Kinetic Monte Carlo

KW - Surface diffusion

KW - Rigid lattice

KW - Migration barriers

KW - Atomic jumps

KW - MOLECULAR-DYNAMICS

KW - VACANCY

KW - IRON

KW - CORRECTED EFFECTIVE-MEDIUM

KW - CLUSTER-EXPANSION

KW - FINDING SADDLE-POINTS

KW - MONTE-CARLO SIMULATIONS

KW - RANGE

KW - FE

KW - 114 Physical sciences

U2 - 10.1016/j.commatsci.2017.12.054

DO - 10.1016/j.commatsci.2017.12.054

M3 - Article

VL - 146

SP - 287

EP - 302

JO - Computational Materials Science

JF - Computational Materials Science

SN - 0927-0256

ER -