Nano-indentation of a room-temperature ionic liquid film on silica: a computational experiment

We investigate the structure of the [bmim][Tf 2 N]/silica interface by simulating the indentation of a thin (4 nm) [bmim][Tf 2 N] film by a hard nanometric tip. The ionic liquid/silica interface is represented in atomistic detail, while the tip is modelled by a spherical mesoscopic particle interact...

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Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 2012-01, Vol.14 (7), p.2475-2482
Main Authors: Ballone, P, Del Ppolo, M. G, Bovio, S, Podest, A, Milani, P, Manini, N
Format: Article
Language:English
Subjects:
Chemistry
Colloidal state and disperse state
Computer simulation
Condensed Matter
Exact sciences and technology
General and physical chemistry
Indentation
Ionic liquids
Ionic Liquids - chemistry
Materials Science
Mathematical analysis
Molecular Dynamics Simulation
Nanocomposites
Nanomaterials
Nanostructure
Nanotechnology
Physical and chemical studies. Granulometry. Electrokinetic phenomena
Physics
Silicon dioxide
Silicon Dioxide - chemistry
Surface physical chemistry
Temperature
Thermodynamics
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Summary:We investigate the structure of the [bmim][Tf 2 N]/silica interface by simulating the indentation of a thin (4 nm) [bmim][Tf 2 N] film by a hard nanometric tip. The ionic liquid/silica interface is represented in atomistic detail, while the tip is modelled by a spherical mesoscopic particle interacting via an effective short-range potential. Plots of the normal force ( F z ) on the tip as a function of its distance from the silica surface highlight the effect of weak layering in the ionic liquid structure, as well as the progressive loss of fluidity in approaching the silica surface. The simulation results for F z are in near-quantitative agreement with new AFM data measured on the same [bmim][Tf 2 N]/silica interface under comparable thermodynamic conditions. Local mechanical properties of a nanometric room-temperature ionic liquid film on silica have been probed by atomistic computer simulations.
ISSN:1463-9076
1463-9084
DOI:10.1039/c2cp23459a