Molecular Dynamics Simulation of Ice Indentation by Model Atomic Force Microscopy Tips

Julian Gelman Constantin, Marcelo Carignano, Horacio R. Corti, Igal Szleifer

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

We have performed extensive molecular dynamics simulations of nanoindentation of an ice slab with model atomic force microscopy (AFM) tips. We found the presence of a quasi-liquid layer between the tip and the ice for all explored indentation depths. For the smallest tip studied (R = 0.55 nm), the force versus indentation depth curves present peaks related to the melting of distinct monolayers of ice, and we were able to calculate the work (free energy) associated with it. For a larger tip (R = 1.80 nm) having a size not commensurate with the average monolayer thickness, we did not find a clear structure in force curves. This work can help guide the interpretation of experimental AFM indentation of ice and other crystalline solids. More specifically, it provides guidelines for tip sizes where layer-by-layer melting can be achieved and for the order of magnitude of forces that need to be detected.

Original languageEnglish
Pages (from-to)27118-27124
Number of pages7
JournalJournal of Physical Chemistry C
Volume119
Issue number48
DOIs
Publication statusPublished - 9 Nov 2015

Fingerprint

Ice
indentation
Indentation
Molecular dynamics
Atomic force microscopy
ice
atomic force microscopy
molecular dynamics
Computer simulation
Monolayers
Melting
simulation
melting
Nanoindentation
Free energy
curves
nanoindentation
Crystalline materials
slabs
free energy

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Electronic, Optical and Magnetic Materials
  • Surfaces, Coatings and Films
  • Energy(all)

Cite this

Molecular Dynamics Simulation of Ice Indentation by Model Atomic Force Microscopy Tips. / Gelman Constantin, Julian; Carignano, Marcelo; Corti, Horacio R.; Szleifer, Igal.

In: Journal of Physical Chemistry C, Vol. 119, No. 48, 09.11.2015, p. 27118-27124.

Research output: Contribution to journalArticle

Gelman Constantin, Julian ; Carignano, Marcelo ; Corti, Horacio R. ; Szleifer, Igal. / Molecular Dynamics Simulation of Ice Indentation by Model Atomic Force Microscopy Tips. In: Journal of Physical Chemistry C. 2015 ; Vol. 119, No. 48. pp. 27118-27124.
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