Applied Mathematics - BS/MS
Bachelor of Science
Date of Graduation
Coherency strains appear in interacting atomic monolayers due to differing bond lengths, which can arise from different materials or geometries. Examples include extended monolayers interacting with a substrate and the interacting walls of a multi-walled carbon nanotube. These strains can induce various equilibrium configurations, which we will analyze by means of a phenomenological model that incorporates forces from bond stretching and bending within each layer and the weak van der Waals interactions connecting the separate layers. We vary the strengths of each interaction to explore their effects on equilibrium structures, and the specific case of a two-walled carbon nanotube is explored as well. Then, thermal effects are also examined by augmenting the equations with a Langevin model. Finally, indentation simulations, simulations with a hole in the bottom layer with a constant force applied to a section of the top layer, are executed. Simulation results are presented and analyzed.
J. Patrick Wilber
Rivera, Emmanuel, "Equilibrium Structures and Thermal Fluctuations in Interacting Monolayers" (2019). Williams Honors College, Honors Research Projects. 865.