Year: 2010
Type: article
Abstract: The relations between the thermal conductivity of cagelike structures and their crystal parameters are investigated using a two-dimensional toy model. The model consists of host atoms on a rectangular lattice with fillers at the center of each rectangle. The effect of mass and size of the filler on thermal conductivity is investigated using equilibrium molecular-dynamics simulations. We show that the thermal conductivity decreases with increasing atomic displacement parameter while it has local minima versus the filler to host mass ratio. Similar trends were observed in experiments on filled skutterudites. The trends are explained by analyzing the effect of the filler on the phonon dispersion and relaxation times of the host material.
Source: Physical Review B
Institutions: Massachusetts Institute of Technology, Boston College
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: green
Funder: U.S. Department of Energy
OpenAlex ID: W2030778754