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Static energy calculations of stress‐strain behavior of self‐assembled monolayers

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Grunze,  M.
Cellular Biophysics, Max Planck Institute for Medical Research, Max Planck Society;

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Citation

Henda, R., Grunze, M., & Pertsin, A. (1998). Static energy calculations of stress‐strain behavior of self‐assembled monolayers. Tribology Letters, 5(2-3), 191-195. doi:10.1023/A:1019141708230.


Cite as: https://hdl.handle.net/21.11116/0000-0001-B641-8
Abstract
The mechanical response of alkanethiol/Au(111) self‐assembled monolayers to normal stress is simulated using the static energy minimization technique. The calculation results are discussed in terms of stress‐induced structural changes, stress‐strain relationships and Young's moduli. The dependence of the calculated elastic properties on the monolayer configuration, force field, and chain length is examined.