Vacancy formation on stepped Cu(100) accelerated with STM: Molecular dynamics and kinetic Monte Carlo simulations

被引：21

作者：

Kolesnikov, S. V. ^{[1
]}

Klavsyuk, A. L. ^{[1
]}

Saletsky, A. M. ^{[1
]}

机构：

[1] Moscow MV Lomonosov State Univ, Fac Phys, Moscow 119991, Russia

来源：

PHYSICAL REVIEW B | 2009年 / 80卷 / 24期

关键词：

copper; molecular dynamics method; Monte Carlo methods; scanning tunnelling microscopy; vacancies (crystal); SCANNING-TUNNELING-MICROSCOPY; CU(001) SURFACE; DIFFUSION; GROWTH; ADATOMS; CO; CLUSTERS; BARRIERS; CU(111); ALLOY;

D O I：

10.1103/PhysRevB.80.245412

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Formation of vacancies on stepped Cu(100) surface during the usage of scanning tunneling microscope (STM) is investigated on the atomic scale by performing molecular dynamics and kinetic Monte Carlo simulations. The atomic processes responsible for vacancy formation on both upper and lower terraces during the scanning are identified. We investigate the possibility of increasing of local intensity of vacancy formation with STM tip at different temperatures. The influence of trajectory and velocity of STM tip is also demonstrated. Finally, we suggest the effective method to accelerate formation of free vacancies on the stepped Cu(100) surface.

引用

页数：7

共 50 条

[31] Molecular Dynamics, Monte Carlo Simulations, and Langevin Dynamics: A Computational Review
Paquet, Eric
Viktor, Herna L.
BIOMED RESEARCH INTERNATIONAL, 2015, 2015
[32] Kinetic Monte Carlo-molecular dynamics investigations of hyperthermal copper deposition on Cu(111)
Pomeroy, JM
Jacobsen, J
Hill, CC
Cooper, BH
Sethna, JP
PHYSICAL REVIEW B, 2002, 66 (23) : 1 - 8
[33] Formation of Ag and Co nanowires at the step of the Cu(100) vicinal surfaces: A kinetic Monte Carlo study
Blel, Sonia
Hamouda, Ajmi B. H.
VACUUM, 2018, 151 : 133 - 139
[34] Molecular insights into the carbon dioxide sequestration in kerogen: An accelerated algorithm coupling molecular dynamics simulations and Monte Carlo methods
Liu, Jie
Zhang, Tao
Sun, Shuyu
PROCESS SAFETY AND ENVIRONMENTAL PROTECTION, 2024, 185 : 1336 - 1351
[35] Kinetic Monte Carlo and cellular particle dynamics simulations of multicellular systems
Flenner, Elijah
Janosi, Lorant
Barz, Bogdan
Neagu, Adrian
Forgacs, Gabor
Kosztin, Ioan
PHYSICAL REVIEW E, 2012, 85 (03):
[36] Kinetic Monte Carlo simulations of void lattice formation during irradiation
Heinisch, HL
Singh, BN
PHILOSOPHICAL MAGAZINE, 2003, 83 (31-34) : 3661 - 3676
[37] Mixed Monte Carlo/Molecular Dynamics simulations of the prion protein
Ribeiro, Andre A. S. T.
de Alencastro, Ricardo B.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2013, 42 : 1 - 6
[38] Combining molecular dynamics with Monte Carlo simulations: implementations and applications
Neyts, Erik C.
Bogaerts, Annemie
THEORETICAL CHEMISTRY ACCOUNTS, 2013, 132 (02) : 1 - 12
[39] MONTE-CARLO AND MOLECULAR-DYNAMICS SIMULATIONS OF POLYMERS
KREMER, K
GREST, GS
PHYSICA SCRIPTA, 1991, T35 : 61 - 65
[40] Partial multicanonical algorithm for molecular dynamics and Monte Carlo simulations
Okumura, Hisashi
JOURNAL OF CHEMICAL PHYSICS, 2008, 129 (12):

← 1 2 3 4 5 →