Kenneth J. Tupper

Learn More
Molecular dynamics simulations are used to probe the atomic-scale behavior of a model for a selfassembled monolayer of n-hexadecanethiol chemisorbed on a gold (111) surface compressed under high loads. These simulations suggest that SAMs may undergo abrupt rearrangements during compression that retain efficient packings of the chains. These changes may in(More)
Molecular dynamics simulations were performed to study friction in self-assembled monolayers of alkanethiols on gold. The simulations yield a frictional force that is proportional to the applied load, consistent with Amontons' second law for macroscopic systems. It is further demonstrated that the chain length of the alkanethiols and the load under which(More)
  • 1