Online Archive of University of Virginia Scholarship
The role of atomic ordering on phonon transport in substitutional solid solutions104 views
Author
Duda, John Charles, School of Engineering and Applied Science, University of Virginia
Advisors
Norris, Pamela, School of Engineering and Applied Science, University of Virginia
Haj-Hariri, Hossein, School of Engineering and Applied Science, University of Virginia
Floro, Jerry, EN-Mat Sci & Engr Dept, University of Virginia
Hopkins, Patrick, EN-Mech & Aero Engr Dept, University of Virginia
Reinke, Petra, EN-Mat Sci & Engr Dept, University of Virginia
Soffa, William, EN-Mat Sci & Engr Dept, University of Virginia
Zhigilei, Leonid, EN-Mat Sci & Engr Dept, University of Virginia
Abstract
The objective of this work is to demonstrate that through exploitation of chemically-ordered solid-solutions, new strategies to gain control over the thermal conductivities of solid-state material systems are possible. Both non-equilibrium molecular dynamics (NEMD) simulations and harmonic lattice dynamics (LD) calculations will be implemented to achieve this goal.
The results of these simulations will show that through the exploitation of chemical ordering, the phononic thermal conductivity of binary semiconductor alloys can be effectively tuned across an. order of magnitude at low temperatures. In particular, exploitation of chemically-ordered solid-solutions can lead to a ten-fold increase in phononic thermal conductivity at low temperatures, as well as serve as a method for reducing phononic thermal conductivity at high temperatures.
Degree
PHD (Doctor of Philosophy)
Keywords
Phonon transport; ordered alloys
Language
English
Rights
All rights reserved (no additional license for public reuse)
Duda, John Charles. The role of atomic ordering on phonon transport in substitutional solid solutions. University of Virginia, School of Engineering and Applied Science, PHD (Doctor of Philosophy), 2012-01-01, https://doi.org/10.18130/4qn0-5750.
