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Molecular dynamics simulation of non-contact atomic force microscopy of an ordered monolayer consisting of single united atoms chemisorbed strongly on a continuum substrate

Authors :
T. Shiokawa
Takuya Ohzono
Masamichi Fujihira
Source :
Applied Surface Science. 210:117-122
Publication Year :
2003
Publisher :
Elsevier BV, 2003.

Abstract

To study interaction between a single atom protrusion and molecules in a self-assembled monolayer during non-contact atomic force microscopy (nc-AFM), we attempted molecular dynamics (MD) simulation using a monolayer consisting of united CH 3 atoms with a mass ( m 0 ). The interaction of a single gold atom tip with the united atoms and a continuum gold substrate was treated explicitly in terms of microscopic potentials under temperature control with Berendsen’s thermostat. On the other hand, the probe tip with an artificial reduced mass of ca. 600 m 0 was bound to a cantilever spring in order to measure its macroscopic nc-AFM behavior. Energy dissipation as a function of temperature was also studied.

Details

ISSN :
01694332
Volume :
210
Database :
OpenAIRE
Journal :
Applied Surface Science
Accession number :
edsair.doi...........e46381158d76023b3135cb529c69e470
Full Text :
https://doi.org/10.1016/s0169-4332(02)01490-3