Date of Award:

12-2020

Document Type:

Dissertation

Degree Name:

Doctor of Philosophy (PhD)

Department:

Mechanical and Aerospace Engineering

Committee Chair(s)

Ling Liu

Committee

Ling Liu

Committee

Hailei Wang

Committee

Juhyeong Lee

Committee

Nick Roberts

Committee

Yi Rao

Abstract

Heat transfer at the nanoscale plays an important role in determining the reliability and performance of many innovative advanced materials technologies such as nanoelectronics, semiconductor, biomedical devices, polymers, and composites. Extensive efforts have been made to design materials with extraordinary thermal properties. However, fundamental understanding of heat transfer in many of these materials is still not lacking, because the thermal transport processes are governed by several factors including molecular morphology and chemical bonding. Among these factors, the atomic bonding between two dissimilar materials or within single materials is of particular interest due to its ubiquity and importance in physical processes. This work will focus on the demonstration and fundamental understanding of nanoscale thermal transport enhanced by incorporating hydrogen bonds in materials design.

Molecular dynamics is performed for studying heat transfer processes in two typical hydrogen-bonded materials: (1) protein secondary structures, and (2) electrode/electrolyte composites in lithium ion batteries. Theoretical calculation and analysis show that heat transfer can be tuned in a wide range by modifying the hydrogen bonds. Results will not only provide new physical insights, but will also guide the rational design of materials for desired thermal properties towards many applications.

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