Date of Award:
12-2021
Document Type:
Dissertation
Degree Name:
Doctor of Philosophy (PhD)
Department:
Mechanical and Aerospace Engineering
Committee Chair(s)
Nicholas Roberts
Committee
Nicholas Roberts
Committee
Barton Smith
Committee
Geordie Richards
Committee
Mark Riffe
Committee
Todd Moon
Abstract
This work provides the evidence to apply simulation methods that are applicable to systems with structural randomness to simulate crystalline materials at high temperatures. My work not only open the avenue to expand the simulation capability of materials but also provides insight to the physics of vibrations of atoms under different temperature and for different types of materials. I have also evaluated the reliability of Molecular Dynamics simulations at the frequency level and found that theses types of simulations, despite the previous belief, are reliable at low temperatures but up to a measurable frequency. In addition, the result of my work explains the reason for high thermal conductivity of amorphous silicon by showing computational evidence for the presence of high wavelength modes in this material and this work is the first computational work reaching reported low-frequency modes.
Checksum
9aad1a3e8a72bdb300e1d5ae3976c7d1
Recommended Citation
Behbahanian, Amir, "Characteristic of the Dynamics of Disorder in Crystalline and Amorphous Materials" (2021). All Graduate Theses and Dissertations, Spring 1920 to Summer 2023. 8364.
https://digitalcommons.usu.edu/etd/8364
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