Date of Last Revision
2023-05-03 12:53:10
Major
Applied Mathematics - BS/MS
Degree Name
Bachelor of Science
Date of Expected Graduation
Spring 2019
Abstract
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.
Research Sponsor
J. Patrick Wilber
First Reader
Malena Espanol
Second Reader
Dmitry Golovaty
Recommended Citation
Rivera, Emmanuel, "Equilibrium Structures and Thermal Fluctuations in Interacting Monolayers" (2019). Williams Honors College, Honors Research Projects. 865.
https://ideaexchange.uakron.edu/honors_research_projects/865
Included in
Atomic, Molecular and Optical Physics Commons, Numerical Analysis and Scientific Computing Commons, Ordinary Differential Equations and Applied Dynamics Commons