Modeling the Statistical Mechanics of Adatoms on Carbon Nanotubes

Using Transfer Matrices

 Justin Spencer '05

Advisor:  Dr. Lyle Roelofs

The computational rigors associated with solving large transfer matrices necessitate approximating real surfaces as infinitely long but relatively narrow and rolled into ‘tubes’ to eliminate boundary conditions.  Carbon nanotubes present an excellent subject for this approach; as the physical  reality of the system mimics that of the aforementioned  approximations and precludes the necessity of extrapolations to greater widths.  We employ the  transfer matrix approach to model ordering, phase change, and heat capacity of  adsorbed atoms on nanotubes.